Showing 1–50 of 54 results for author: Stuart, A

Operation and performance of ProtoDUNE Dual Phase liquid argon time projection chamber

Authors: DUNE Collaboration, S. Abbaslu, F. Abd Alrahman, A. Abed Abud, R. Acciarri, L. P. Accorsi, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, K. Adhikari, C. Adriano, K. Agudelo-Jaramillo, F. Akbar, F. Alemanno, N. S. Alex, L. Aliaga Soplin, A. Alqaisi, M. Alrashed, A. Alton, R. Alvarez, T. Alves, A. Aman, H. Amar, R. Amarinei , et al. (1341 additional authors not shown)

Abstract: ProtoDUNE-DP was the largest ever built Liquid Argon Time Projection Chamber (LArTPC) operating in Dual-Phase (DP) mode, with a liquid target and charge read-out placed in the gas. It had an active volume of $6\times6\times6$\,m$^3$ corresponding to an active mass of 300\,t (total LAr mass of 720\,t), constructed at the CERN Neutrino Platform and took data from 2019 to 2020 with cosmic muons. In P… ▽ More ProtoDUNE-DP was the largest ever built Liquid Argon Time Projection Chamber (LArTPC) operating in Dual-Phase (DP) mode, with a liquid target and charge read-out placed in the gas. It had an active volume of $6\times6\times6$\,m$^3$ corresponding to an active mass of 300\,t (total LAr mass of 720\,t), constructed at the CERN Neutrino Platform and took data from 2019 to 2020 with cosmic muons. In ProtoDUNE-DP the electric drift field is oriented in the vertical direction, causing the electrons to drift vertically towards the anode at the top. The ionization charge is then extracted into the gaseous argon above the liquid surface, amplified by Townsend avalanches, and collected by the charge readout planes. The detector experienced significant technical problems affecting the long-term operation of the Charge Readout Planes, formed by the Large Electron Multipliers, but other critical segments demonstrated required performance including the delivery of -300 kV to the TPC cathode, verification of replaceable charge read-out electronics, and operation of the photon detection system. ProtoDUNE-DP experience resulted in improved designs of the Vertical Drift LArTPC. △ Less

Submitted 21 July, 2026; v1 submitted 17 July, 2026; originally announced July 2026.

Comments: 103 pages, 66 figures

Report number: FERMILAB-PUB-26-0466-LBNF

Charge readout electronics for the DUNE horizontal drift far detector: design and performance in ProtoDUNE-HD

Authors: DUNE Collaboration, S. Abbaslu, F. Abd Alrahman, A. Abed Abud, R. Acciarri, L. P. Accorsi, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, K. Adhikari, C. Adriano, K. Agudelo-Jaramillo, F. Akbar, F. Alemanno, N. S. Alex, L. Aliaga Soplin, A. Alqaisi, M. Alrashed, A. Alton, R. Alvarez, T. Alves, A. Aman, H. Amar, R. Amarinei , et al. (1346 additional authors not shown)

Abstract: DUNE (Deep Underground Neutrino Experiment) is a long-baseline neutrino oscillation experiment currently under construction, whose far detectors will be the largest liquid argon time projection chambers ever built. This detector design calls for custom-built cryogenic front-end electronics to meet its performance requirements. This paper describes the charge readout electronics that will be used i… ▽ More DUNE (Deep Underground Neutrino Experiment) is a long-baseline neutrino oscillation experiment currently under construction, whose far detectors will be the largest liquid argon time projection chambers ever built. This detector design calls for custom-built cryogenic front-end electronics to meet its performance requirements. This paper describes the charge readout electronics that will be used in the DUNE horizontal drift (HD) far detector and presents performance results using data from the ProtoDUNE-HD detector, a 770 ton liquid argon time projection chamber operated at the CERN Neutrino Platform in 2024 that served as the final prototype of the DUNE HD design. △ Less

Submitted 12 August, 2026; v1 submitted 26 April, 2026; originally announced April 2026.

Comments: Accepted version

Report number: FERMILAB-PUB-26-0270-LBNF, CERN-EP-2026-128

Journal ref: JINST 21 (2026) P08018

Distributional Inverse Homogenization

Authors: Arnaud Vadeboncoeur, Mark Girolami, Kaushik Bhattacharya, Andrew M. Stuart

Abstract: For many materials, macroscopic mechanical behavior is determined by an intricate microstructure. Understanding the relation between these two scales helps scientists and engineers design better materials. The relation which maps microstructure to bulk material properties can be understood via the well-established theory of homogenization. However inverting the homogenization process, to recover m… ▽ More For many materials, macroscopic mechanical behavior is determined by an intricate microstructure. Understanding the relation between these two scales helps scientists and engineers design better materials. The relation which maps microstructure to bulk material properties can be understood via the well-established theory of homogenization. However inverting the homogenization process, to recover microstructural information from measured macroscopic properties, is fraught with difficulties because of the averaging processes that underlie homogenization. Therefore, scientists and engineers usually need recourse to more invasive, often highly localized, investigations to estimate the microstructure. In this work, we develop a noninvasive methodology by which one can leverage large collections of measured bulk material properties to infer information about the statistics of microstructure at a global level. We call this, distributional inverse homogenization. We study this problem in one and two dimensions, considering both periodic and stochastic homogenization. We demonstrate the methodology in the context of 2D Voronoi constructions and underpin the observed empirical success with theory in 1D. We also show how the natural spatial variability of microstructure can be exploited to gather data that enables distributional inversion. And we concurrently learn a surrogate model, approximating the homogenization map, that accelerates the resulting computations in this setting. The work formulates a new class of inverse problems, bridging ideas from probability and homogenization to facilitate the inference of microstructural material variability from macroscopic measurements. △ Less

Submitted 6 August, 2026; v1 submitted 15 April, 2026; originally announced April 2026.

Optimal Experimental Design for Reliable Learning of History-Dependent Constitutive Laws

Authors: Kaushik Bhattacharya, Lianghao Cao, Andrew Stuart

Abstract: History-dependent constitutive models serve as macroscopic closures for the aggregated effects of micromechanics. Their parameters are typically learned from experimental data. With a limited experimental budget, eliciting the full range of responses needed to characterize the constitutive relation can be difficult. As a result, the data can be well explained by a range of parameter choices, leadi… ▽ More History-dependent constitutive models serve as macroscopic closures for the aggregated effects of micromechanics. Their parameters are typically learned from experimental data. With a limited experimental budget, eliciting the full range of responses needed to characterize the constitutive relation can be difficult. As a result, the data can be well explained by a range of parameter choices, leading to parameter estimates that are uncertain or unreliable. To address this issue, we propose a Bayesian optimal experimental design framework to quantify, interpret, and maximize the utility of experimental designs for reliable learning of history-dependent constitutive models. In this framework, the design utility is defined as the expected reduction in parametric uncertainty or the expected information gain. This enables in silico design optimization using simulated data and reduces the cost of physical experiments for reliable parameter identification. We introduce two approximations that make this framework practical for advanced material testing with expensive forward models and high-dimensional data: (i) a Gaussian approximation of the expected information gain, and (ii) a surrogate approximation of the Fisher information matrix. The former enables efficient design optimization and interpretation, while the latter extends this approach to batched design optimization by amortizing the cost of repeated utility evaluations. Our numerical studies of uniaxial tests for viscoelastic solids show that optimized specimen geometries and loading paths yield image and force data that significantly improve parameter identifiability relative to random designs, especially for parameters associated with memory effects. △ Less

Submitted 25 April, 2026; v1 submitted 12 March, 2026; originally announced March 2026.

Journal ref: Computer Methods in Applied Mechanics and Engineering, Volume 457, 2026, 119022, ISSN 0045-7825

Neural ensemble Kalman filter: Data assimilation for compressible flows with shocks

Authors: Xu-Hui Zhou, Lorenzo Beronilla, Michael K. Sleeman, Hangchuan Hu, Matthias Morzfeld, Andrew M. Stuart, Tamer A. Zaki

Abstract: Data assimilation (DA) for compressible flows with shocks is challenging because many classical DA methods generate spurious oscillations and nonphysical features near uncertain shocks. We focus here on the ensemble Kalman filter (EnKF). We show that the poor performance of the EnKF may be attributed to the bimodal forecast distribution that can arise in the vicinity of an uncertain shock location… ▽ More Data assimilation (DA) for compressible flows with shocks is challenging because many classical DA methods generate spurious oscillations and nonphysical features near uncertain shocks. We focus here on the ensemble Kalman filter (EnKF). We show that the poor performance of the EnKF may be attributed to the bimodal forecast distribution that can arise in the vicinity of an uncertain shock location; this violates the assumptions underpinning the EnKF, which assume a forecast which is close to Gaussian. To address this issue we introduce the new neural EnKF. The basic idea is to systematically embed neural function approximations within ensemble DA by mapping the forecast ensemble of shocked flows to the parameter space (weights and biases) of a deep neural network (NN) and to subsequently perform DA in that space. The nonlinear mapping encodes sharp and smooth flow features in an ensemble of NN parameters. Neural EnKF updates are therefore well-behaved only if the NN parameters vary smoothly within the neural representation of the forecast ensemble. We show that such a smooth variation of network parameters can be enforced via physics-informed transfer learning, and demonstrate that in so-doing the neural EnKF avoids the spurious oscillations and nonphysical features that plague the EnKF. The applicability of the neural EnKF is demonstrated through a series of systematic numerical experiments with the inviscid Burgers' equation, the Sod shock tube, and a two-dimensional blast wave. △ Less

Submitted 10 June, 2026; v1 submitted 26 February, 2026; originally announced February 2026.

Bilevel optimization for learning hyperparameters: Application to solving PDEs and inverse problems with Gaussian processes

Authors: Nicholas H. Nelsen, Houman Owhadi, Andrew M. Stuart, Xianjin Yang, Zongren Zou

Abstract: Methods for solving scientific computing and inference problems, such as kernel- and neural network-based approaches for partial differential equations (PDEs), inverse problems, and supervised learning tasks, depend crucially on the choice of hyperparameters. Specifically, the efficacy of such methods, and in particular their accuracy, stability, and generalization properties, strongly depends on… ▽ More Methods for solving scientific computing and inference problems, such as kernel- and neural network-based approaches for partial differential equations (PDEs), inverse problems, and supervised learning tasks, depend crucially on the choice of hyperparameters. Specifically, the efficacy of such methods, and in particular their accuracy, stability, and generalization properties, strongly depends on the choice of hyperparameters. While bilevel optimization offers a principled framework for hyperparameter tuning, its nested optimization structure can be computationally demanding, especially in PDE-constrained contexts. In this paper, we propose an efficient strategy for hyperparameter optimization within the bilevel framework by employing a Gauss-Newton linearization of the inner optimization step. Our approach provides closed-form updates, eliminating the need for repeated costly PDE solves. As a result, each iteration of the outer loop reduces to a single linearized PDE solve, followed by explicit gradient-based hyperparameter updates. We demonstrate the effectiveness of the proposed method through Gaussian process models applied to nonlinear PDEs and to PDE inverse problems. Extensive numerical experiments highlight substantial improvements in accuracy and robustness compared to conventional random hyperparameter initialization. In particular, experiments with additive kernels and neural network-parameterized deep kernels demonstrate the method's scalability and effectiveness for high-dimensional hyperparameter optimization. △ Less

Submitted 7 October, 2025; originally announced October 2025.

Operation of a Modular 3D-Pixelated Liquid Argon Time-Projection Chamber in a Neutrino Beam

Authors: DUNE Collaboration, S. Abbaslu, A. Abed Abud, R. Acciarri, L. P. Accorsi, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, C. Adriano, F. Akbar, F. Alemanno, N. S. Alex, K. Allison, M. Alrashed, A. Alton, R. Alvarez, T. Alves, A. Aman, H. Amar, P. Amedo, J. Anderson, D. A. Andrade, C. Andreopoulos, M. Andreotti , et al. (1299 additional authors not shown)

Abstract: The 2x2 Demonstrator, a prototype for the Deep Underground Neutrino Experiment (DUNE) liquid argon (LAr) Near Detector, was exposed to the Neutrinos from the Main Injector (NuMI) neutrino beam at Fermi National Accelerator Laboratory (Fermilab). This detector prototypes a new modular design for a liquid argon time-projection chamber (LArTPC), comprised of a two-by-two array of four modules, each f… ▽ More The 2x2 Demonstrator, a prototype for the Deep Underground Neutrino Experiment (DUNE) liquid argon (LAr) Near Detector, was exposed to the Neutrinos from the Main Injector (NuMI) neutrino beam at Fermi National Accelerator Laboratory (Fermilab). This detector prototypes a new modular design for a liquid argon time-projection chamber (LArTPC), comprised of a two-by-two array of four modules, each further segmented into two optically-isolated LArTPCs. The 2x2 Demonstrator features a number of pioneering technologies, including a low-profile resistive field shell to establish drift fields, native 3D ionization pixelated imaging, and a high-coverage dielectric light readout system. The 2.4 tonne active mass detector is flanked upstream and downstream by supplemental solid-scintillator tracking planes, repurposed from the MINERvA experiment, which track ionizing particles exiting the argon volume. The antineutrino beam data collected by the detector over a 4.5 day period in 2024 include over 30,000 neutrino interactions in the LAr active volume-the first neutrino interactions reported by a DUNE detector prototype. During its physics-quality run, the 2x2 Demonstrator operated at a nominal drift field of 500 V/cm and maintained good LAr purity, with a stable electron lifetime of approximately 1.25 ms. This paper describes the detector and supporting systems, summarizes the installation and commissioning, and presents the initial validation of collected NuMI beam and off-beam self-triggers. In addition, it highlights observed interactions in the detector volume, including candidate muon anti-neutrino events. △ Less

Submitted 17 June, 2026; v1 submitted 6 September, 2025; originally announced September 2025.

Report number: FERMILAB-PUB-25-0537-LBNF

Journal ref: Instruments 2026, 10(1), 18

Spatial and Temporal Evaluations of the Liquid Argon Purity in ProtoDUNE-SP

Authors: DUNE Collaboration, S. Abbaslu, A. Abed Abud, R. Acciarri, L. P. Accorsi, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, C. Adriano, F. Akbar, F. Alemanno, N. S. Alex, K. Allison, M. Alrashed, A. Alton, R. Alvarez, T. Alves, A. Aman, H. Amar, P. Amedo, J. Anderson, D. A. Andrade, C. Andreopoulos, M. Andreotti , et al. (1301 additional authors not shown)

Abstract: Liquid argon time projection chambers (LArTPCs) rely on highly pure argon to ensure that ionization electrons produced by charged particles reach readout arrays. ProtoDUNE Single-Phase (ProtoDUNE-SP) was an approximately 700-ton liquid argon detector intended to prototype the Deep Underground Neutrino Experiment (DUNE) Far Detector Horizontal Drift module. It contains two drift volumes bisected by… ▽ More Liquid argon time projection chambers (LArTPCs) rely on highly pure argon to ensure that ionization electrons produced by charged particles reach readout arrays. ProtoDUNE Single-Phase (ProtoDUNE-SP) was an approximately 700-ton liquid argon detector intended to prototype the Deep Underground Neutrino Experiment (DUNE) Far Detector Horizontal Drift module. It contains two drift volumes bisected by the cathode plane assembly, which is biased to create an almost uniform electric field in both volumes. The DUNE Far Detector modules must have robust cryogenic systems capable of filtering argon and supplying the TPC with clean liquid. This paper will explore comparisons of the argon purity measured by the purity monitors with those measured using muons in the TPC from October 2018 to November 2018. A new method is introduced to measure the liquid argon purity in the TPC using muons crossing both drift volumes of ProtoDUNE-SP. For extended periods on the timescale of weeks, the drift electron lifetime was measured to be above 30 ms using both systems. A particular focus will be placed on the measured purity of argon as a function of position in the detector. △ Less

Submitted 27 August, 2025; v1 submitted 11 July, 2025; originally announced July 2025.

Report number: CERN-EP-2025-157, FERMILAB-PUB-25-0445-V

Journal ref: JINST (2025) 20 P09008

Efficient Deconvolution in Populational Inverse Problems

Authors: Arnaud Vadeboncoeur, Mark Girolami, Andrew M. Stuart

Abstract: This work is focussed on the inversion task of inferring the distribution over parameters of interest leading to multiple sets of observations. The potential to solve such distributional inversion problems is driven by increasing availability of data, but a major roadblock is blind deconvolution, arising when the observational noise distribution is unknown. However, when data originates from colle… ▽ More This work is focussed on the inversion task of inferring the distribution over parameters of interest leading to multiple sets of observations. The potential to solve such distributional inversion problems is driven by increasing availability of data, but a major roadblock is blind deconvolution, arising when the observational noise distribution is unknown. However, when data originates from collections of physical systems, a population, it is possible to leverage this information to perform deconvolution. To this end, we propose a methodology leveraging large data sets of observations, collected from different instantiations of the same physical processes, to simultaneously deconvolve the data corrupting noise distribution, and to identify the distribution over model parameters defining the physical processes. A parameter-dependent mathematical model of the physical process is employed. A loss function characterizing the match between the observed data and the output of the mathematical model is defined; it is minimized as a function of the both the parameter inputs to the model of the physics and the parameterized observational noise. This coupled problem is addressed with a modified gradient descent algorithm that leverages specific structure in the noise model. Furthermore, a new active learning scheme is proposed, based on adaptive empirical measures, to train a surrogate model to be accurate in parameter regions of interest; this approach accelerates computation and enables automatic differentiation of black-box, potentially nondifferentiable, code computing parameter-to-solution maps. The proposed methodology is demonstrated on porous medium flow, damped elastodynamics, and simplified models of atmospheric dynamics. △ Less

Submitted 5 May, 2026; v1 submitted 26 May, 2025; originally announced May 2025.

Learning Enhanced Ensemble Filters

Authors: Eviatar Bach, Ricardo Baptista, Edoardo Calvello, Bohan Chen, Andrew Stuart

Abstract: The filtering distribution in hidden Markov models evolves according to the law of a mean-field model in state-observation space. The ensemble Kalman filter (EnKF) approximates this mean-field model with an ensemble of interacting particles, employing a Gaussian ansatz for the joint distribution of the state and observation at each observation time. These methods are robust, but the Gaussian ansat… ▽ More The filtering distribution in hidden Markov models evolves according to the law of a mean-field model in state-observation space. The ensemble Kalman filter (EnKF) approximates this mean-field model with an ensemble of interacting particles, employing a Gaussian ansatz for the joint distribution of the state and observation at each observation time. These methods are robust, but the Gaussian ansatz limits accuracy. Here this shortcoming is addressed by using machine learning to map the joint predicted state and observation to the updated state estimate. The derivation of methods from a mean field formulation of the true filtering distribution suggests a single parametrization of the algorithm that can be deployed at different ensemble sizes. And we use a mean field formulation of the ensemble Kalman filter as an inductive bias for our architecture. To develop this perspective, in which the mean-field limit of the algorithm and finite interacting ensemble particle approximations share a common set of parameters, a novel form of neural operator is introduced, taking probability distributions as input: a measure neural mapping (MNM). A MNM is used to design a novel approach to filtering, the MNM-enhanced ensemble filter (MNMEF), which is defined in both the mean-field limit and for interacting ensemble particle approximations. The ensemble approach uses empirical measures as input to the MNM and is implemented using the set transformer, which is invariant to ensemble permutation and allows for different ensemble sizes. In practice fine-tuning of a small number of parameters, for specific ensemble sizes, further enhances the accuracy of the scheme. The promise of the approach is demonstrated by its superior root-mean-square-error performance relative to leading methods in filtering the Lorenz '96 and Kuramoto-Sivashinsky models. △ Less

Submitted 23 December, 2025; v1 submitted 24 April, 2025; originally announced April 2025.

Comments: Accepted by the Journal of Computational Physics

European Contributions to Fermilab Accelerator Upgrades and Facilities for the DUNE Experiment

Authors: DUNE Collaboration, A. Abed Abud, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, D. Adams, M. Adinolfi, C. Adriano, A. Aduszkiewicz, J. Aguilar, F. Akbar, F. Alemanno, N. S. Alex, K. Allison, M. Alrashed, A. Alton, R. Alvarez, T. Alves, A. Aman, H. Amar, P. Amedo, J. Anderson, D. A. Andrade , et al. (1322 additional authors not shown)

Abstract: The Proton Improvement Plan (PIP-II) to the FNAL accelerator chain and the Long-Baseline Neutrino Facility (LBNF) will provide the world's most intense neutrino beam to the Deep Underground Neutrino Experiment (DUNE) enabling a wide-ranging physics program. This document outlines the significant contributions made by European national laboratories and institutes towards realizing the first phase o… ▽ More The Proton Improvement Plan (PIP-II) to the FNAL accelerator chain and the Long-Baseline Neutrino Facility (LBNF) will provide the world's most intense neutrino beam to the Deep Underground Neutrino Experiment (DUNE) enabling a wide-ranging physics program. This document outlines the significant contributions made by European national laboratories and institutes towards realizing the first phase of the project with a 1.2 MW neutrino beam. Construction of this first phase is well underway. For DUNE Phase II, this will be closely followed by an upgrade of the beam power to > 2 MW, for which the European groups again have a key role and which will require the continued support of the European community for machine aspects of neutrino physics. Beyond the neutrino beam aspects, LBNF is also responsible for providing unique infrastructure to install and operate the DUNE neutrino detectors at FNAL and at the Sanford Underground Research Facility (SURF). The cryostats for the first two Liquid Argon Time Projection Chamber detector modules at SURF, a contribution of CERN to LBNF, are central to the success of the ongoing execution of DUNE Phase I. Likewise, successful and timely procurement of cryostats for two additional detector modules at SURF will be critical to the success of DUNE Phase II and the overall physics program. The DUNE Collaboration is submitting four main contributions to the 2026 Update of the European Strategy for Particle Physics process. This paper is being submitted to the 'Accelerator technologies' and 'Projects and Large Experiments' streams. Additional inputs related to the DUNE science program, DUNE detector technologies and R&D, and DUNE software and computing, are also being submitted to other streams. △ Less

Submitted 31 March, 2025; originally announced March 2025.

Comments: Submitted to the 2026 Update of the European Strategy for Particle Physics

DUNE Software and Computing Research and Development

Authors: DUNE Collaboration, A. Abed Abud, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, D. Adams, M. Adinolfi, C. Adriano, A. Aduszkiewicz, J. Aguilar, F. Akbar, F. Alemanno, N. S. Alex, K. Allison, M. Alrashed, A. Alton, R. Alvarez, T. Alves, A. Aman, H. Amar, P. Amedo, J. Anderson, D. A. Andrade , et al. (1322 additional authors not shown)

Abstract: The international collaboration designing and constructing the Deep Underground Neutrino Experiment (DUNE) at the Long-Baseline Neutrino Facility (LBNF) has developed a two-phase strategy toward the implementation of this leading-edge, large-scale science project. The ambitious physics program of Phase I and Phase II of DUNE is dependent upon deployment and utilization of significant computing res… ▽ More The international collaboration designing and constructing the Deep Underground Neutrino Experiment (DUNE) at the Long-Baseline Neutrino Facility (LBNF) has developed a two-phase strategy toward the implementation of this leading-edge, large-scale science project. The ambitious physics program of Phase I and Phase II of DUNE is dependent upon deployment and utilization of significant computing resources, and successful research and development of software (both infrastructure and algorithmic) in order to achieve these scientific goals. This submission discusses the computing resources projections, infrastructure support, and software development needed for DUNE during the coming decades as an input to the European Strategy for Particle Physics Update for 2026. The DUNE collaboration is submitting four main contributions to the 2026 Update of the European Strategy for Particle Physics process. This submission to the 'Computing' stream focuses on DUNE software and computing. Additional inputs related to the DUNE science program, DUNE detector technologies and R&D, and European contributions to Fermilab accelerator upgrades and facilities for the DUNE experiment, are also being submitted to other streams. △ Less

Submitted 31 March, 2025; originally announced March 2025.

Comments: Submitted to the 2026 Update of the European Strategy for Particle Physics

The DUNE Phase II Detectors

Authors: DUNE Collaboration, A. Abed Abud, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, D. Adams, M. Adinolfi, C. Adriano, A. Aduszkiewicz, J. Aguilar, F. Akbar, F. Alemanno, N. S. Alex, K. Allison, M. Alrashed, A. Alton, R. Alvarez, T. Alves, A. Aman, H. Amar, P. Amedo, J. Anderson, D. A. Andrade , et al. (1322 additional authors not shown)

Abstract: The international collaboration designing and constructing the Deep Underground Neutrino Experiment (DUNE) at the Long-Baseline Neutrino Facility (LBNF) has developed a two-phase strategy for the implementation of this leading-edge, large-scale science project. The 2023 report of the US Particle Physics Project Prioritization Panel (P5) reaffirmed this vision and strongly endorsed DUNE Phase I and… ▽ More The international collaboration designing and constructing the Deep Underground Neutrino Experiment (DUNE) at the Long-Baseline Neutrino Facility (LBNF) has developed a two-phase strategy for the implementation of this leading-edge, large-scale science project. The 2023 report of the US Particle Physics Project Prioritization Panel (P5) reaffirmed this vision and strongly endorsed DUNE Phase I and Phase II, as did the previous European Strategy for Particle Physics. The construction of DUNE Phase I is well underway. DUNE Phase II consists of a third and fourth far detector module, an upgraded near detector complex, and an enhanced > 2 MW beam. The fourth FD module is conceived as a 'Module of Opportunity', aimed at supporting the core DUNE science program while also expanding the physics opportunities with more advanced technologies. The DUNE collaboration is submitting four main contributions to the 2026 Update of the European Strategy for Particle Physics process. This submission to the 'Detector instrumentation' stream focuses on technologies and R&D for the DUNE Phase II detectors. Additional inputs related to the DUNE science program, DUNE software and computing, and European contributions to Fermilab accelerator upgrades and facilities for the DUNE experiment, are also being submitted to other streams. △ Less

Submitted 29 March, 2025; originally announced March 2025.

Comments: Submitted to the 2026 Update of the European Strategy for Particle Physics

The track-length extension fitting algorithm for energy measurement of interacting particles in liquid argon TPCs and its performance with ProtoDUNE-SP data

Authors: DUNE Collaboration, A. Abed Abud, B. Abi, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, D. Adams, M. Adinolfi, C. Adriano, A. Aduszkiewicz, J. Aguilar, F. Akbar, N. S. Alex, K. Allison, S. Alonso Monsalve, M. Alrashed, A. Alton, R. Alvarez, T. Alves, H. Amar, P. Amedo, J. Anderson, C. Andreopoulos , et al. (1348 additional authors not shown)

Abstract: This paper introduces a novel track-length extension fitting algorithm for measuring the kinetic energies of inelastically interacting particles in liquid argon time projection chambers (LArTPCs). The algorithm finds the most probable offset in track length for a track-like object by comparing the measured ionization density as a function of position with a theoretical prediction of the energy los… ▽ More This paper introduces a novel track-length extension fitting algorithm for measuring the kinetic energies of inelastically interacting particles in liquid argon time projection chambers (LArTPCs). The algorithm finds the most probable offset in track length for a track-like object by comparing the measured ionization density as a function of position with a theoretical prediction of the energy loss as a function of the energy, including models of electron recombination and detector response. The algorithm can be used to measure the energies of particles that interact before they stop, such as charged pions that are absorbed by argon nuclei. The algorithm's energy measurement resolutions and fractional biases are presented as functions of particle kinetic energy and number of track hits using samples of stopping secondary charged pions in data collected by the ProtoDUNE-SP detector, and also in a detailed simulation. Additional studies describe the impact of the dE/dx model on energy measurement performance. The method described in this paper to characterize the energy measurement performance can be repeated in any LArTPC experiment using stopping secondary charged pions. △ Less

Submitted 26 December, 2024; v1 submitted 26 September, 2024; originally announced September 2024.

Report number: FERMILAB-PUB-24-0561-LBNF-PPD, CERN-EP-2024-256

DUNE Phase II: Scientific Opportunities, Detector Concepts, Technological Solutions

Authors: DUNE Collaboration, A. Abed Abud, B. Abi, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, D. Adams, M. Adinolfi, C. Adriano, A. Aduszkiewicz, J. Aguilar, F. Akbar, K. Allison, S. Alonso Monsalve, M. Alrashed, A. Alton, R. Alvarez, T. Alves, H. Amar, P. Amedo, J. Anderson, C. Andreopoulos, M. Andreotti , et al. (1347 additional authors not shown)

Abstract: The international collaboration designing and constructing the Deep Underground Neutrino Experiment (DUNE) at the Long-Baseline Neutrino Facility (LBNF) has developed a two-phase strategy toward the implementation of this leading-edge, large-scale science project. The 2023 report of the US Particle Physics Project Prioritization Panel (P5) reaffirmed this vision and strongly endorsed DUNE Phase I… ▽ More The international collaboration designing and constructing the Deep Underground Neutrino Experiment (DUNE) at the Long-Baseline Neutrino Facility (LBNF) has developed a two-phase strategy toward the implementation of this leading-edge, large-scale science project. The 2023 report of the US Particle Physics Project Prioritization Panel (P5) reaffirmed this vision and strongly endorsed DUNE Phase I and Phase II, as did the European Strategy for Particle Physics. While the construction of the DUNE Phase I is well underway, this White Paper focuses on DUNE Phase II planning. DUNE Phase-II consists of a third and fourth far detector (FD) module, an upgraded near detector complex, and an enhanced 2.1 MW beam. The fourth FD module is conceived as a "Module of Opportunity", aimed at expanding the physics opportunities, in addition to supporting the core DUNE science program, with more advanced technologies. This document highlights the increased science opportunities offered by the DUNE Phase II near and far detectors, including long-baseline neutrino oscillation physics, neutrino astrophysics, and physics beyond the standard model. It describes the DUNE Phase II near and far detector technologies and detector design concepts that are currently under consideration. A summary of key R&D goals and prototyping phases needed to realize the Phase II detector technical designs is also provided. DUNE's Phase II detectors, along with the increased beam power, will complete the full scope of DUNE, enabling a multi-decadal program of groundbreaking science with neutrinos. △ Less

Submitted 22 August, 2024; originally announced August 2024.

Report number: FERMILAB-TM-2833-LBNF

First Measurement of the Total Inelastic Cross-Section of Positively-Charged Kaons on Argon at Energies Between 5.0 and 7.5 GeV

Authors: DUNE Collaboration, A. Abed Abud, B. Abi, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, D. Adams, M. Adinolfi, C. Adriano, A. Aduszkiewicz, J. Aguilar, F. Akbar, K. Allison, S. Alonso Monsalve, M. Alrashed, A. Alton, R. Alvarez, T. Alves, H. Amar, P. Amedo, J. Anderson, C. Andreopoulos, M. Andreotti , et al. (1341 additional authors not shown)

Abstract: ProtoDUNE Single-Phase (ProtoDUNE-SP) is a 770-ton liquid argon time projection chamber that operated in a hadron test beam at the CERN Neutrino Platform in 2018. We present a measurement of the total inelastic cross section of charged kaons on argon as a function of kaon energy using 6 and 7 GeV/$c$ beam momentum settings. The flux-weighted average of the extracted inelastic cross section at each… ▽ More ProtoDUNE Single-Phase (ProtoDUNE-SP) is a 770-ton liquid argon time projection chamber that operated in a hadron test beam at the CERN Neutrino Platform in 2018. We present a measurement of the total inelastic cross section of charged kaons on argon as a function of kaon energy using 6 and 7 GeV/$c$ beam momentum settings. The flux-weighted average of the extracted inelastic cross section at each beam momentum setting was measured to be 380$\pm$26 mbarns for the 6 GeV/$c$ setting and 379$\pm$35 mbarns for the 7 GeV/$c$ setting. △ Less

Submitted 1 August, 2024; originally announced August 2024.

Report number: CERN-EP-2024-211, FERMILAB-PUB-24-0216-V

Journal ref: Phys. Rev. D 110, (2024) 092011

Supernova Pointing Capabilities of DUNE

Authors: DUNE Collaboration, A. Abed Abud, B. Abi, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, D. Adams, M. Adinolfi, C. Adriano, A. Aduszkiewicz, J. Aguilar, B. Aimard, F. Akbar, K. Allison, S. Alonso Monsalve, M. Alrashed, A. Alton, R. Alvarez, T. Alves, H. Amar, P. Amedo, J. Anderson, D. A. Andrade , et al. (1340 additional authors not shown)

Abstract: The determination of the direction of a stellar core collapse via its neutrino emission is crucial for the identification of the progenitor for a multimessenger follow-up. A highly effective method of reconstructing supernova directions within the Deep Underground Neutrino Experiment (DUNE) is introduced. The supernova neutrino pointing resolution is studied by simulating and reconstructing electr… ▽ More The determination of the direction of a stellar core collapse via its neutrino emission is crucial for the identification of the progenitor for a multimessenger follow-up. A highly effective method of reconstructing supernova directions within the Deep Underground Neutrino Experiment (DUNE) is introduced. The supernova neutrino pointing resolution is studied by simulating and reconstructing electron-neutrino charged-current absorption on 40Ar and elastic scattering of neutrinos on electrons. Procedures to reconstruct individual interactions, including a newly developed technique called ``brems flipping'', as well as the burst direction from an ensemble of interactions are described. Performance of the burst direction reconstruction is evaluated for supernovae happening at a distance of 10 kpc for a specific supernova burst flux model. The pointing resolution is found to be 3.4 degrees at 68% coverage for a perfect interaction-channel classification and a fiducial mass of 40 kton, and 6.6 degrees for a 10 kton fiducial mass respectively. Assuming a 4% rate of charged-current interactions being misidentified as elastic scattering, DUNE's burst pointing resolution is found to be 4.3 degrees (8.7 degrees) at 68% coverage. △ Less

Submitted 24 December, 2025; v1 submitted 14 July, 2024; originally announced July 2024.

Comments: 26 pages, 17 figures

Report number: FERMILAB-PUB-24-0319-LBNF

Journal ref: Phys. Rev. D 111, 092006 (Published 12 May, 2025)

Performance of a modular ton-scale pixel-readout liquid argon time projection chamber

Authors: DUNE Collaboration, A. Abed Abud, B. Abi, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, D. Adams, M. Adinolfi, C. Adriano, A. Aduszkiewicz, J. Aguilar, B. Aimard, F. Akbar, K. Allison, S. Alonso Monsalve, M. Alrashed, A. Alton, R. Alvarez, T. Alves, H. Amar, P. Amedo, J. Anderson, D. A. Andrade , et al. (1340 additional authors not shown)

Abstract: The Module-0 Demonstrator is a single-phase 600 kg liquid argon time projection chamber operated as a prototype for the DUNE liquid argon near detector. Based on the ArgonCube design concept, Module-0 features a novel 80k-channel pixelated charge readout and advanced high-coverage photon detection system. In this paper, we present an analysis of an eight-day data set consisting of 25 million cosmi… ▽ More The Module-0 Demonstrator is a single-phase 600 kg liquid argon time projection chamber operated as a prototype for the DUNE liquid argon near detector. Based on the ArgonCube design concept, Module-0 features a novel 80k-channel pixelated charge readout and advanced high-coverage photon detection system. In this paper, we present an analysis of an eight-day data set consisting of 25 million cosmic ray events collected in the spring of 2021. We use this sample to demonstrate the imaging performance of the charge and light readout systems as well as the signal correlations between the two. We also report argon purity and detector uniformity measurements, and provide comparisons to detector simulations. △ Less

Submitted 5 March, 2024; originally announced March 2024.

Comments: 47 pages, 41 figures

Report number: FERMILAB-PUB-24-0073-LBNF

Doping Liquid Argon with Xenon in ProtoDUNE Single-Phase: Effects on Scintillation Light

Authors: DUNE Collaboration, A. Abed Abud, B. Abi, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, D. Adams, M. Adinolfi, C. Adriano, A. Aduszkiewicz, J. Aguilar, B. Aimard, F. Akbar, K. Allison, S. Alonso Monsalve, M. Alrashed, A. Alton, R. Alvarez, H. Amar Es-sghir, P. Amedo, J. Anderson, D. A. Andrade, C. Andreopoulos , et al. (1297 additional authors not shown)

Abstract: Doping of liquid argon TPCs (LArTPCs) with a small concentration of xenon is a technique for light-shifting and facilitates the detection of the liquid argon scintillation light. In this paper, we present the results of the first doping test ever performed in a kiloton-scale LArTPC. From February to May 2020, we carried out this special run in the single-phase DUNE Far Detector prototype (ProtoDUN… ▽ More Doping of liquid argon TPCs (LArTPCs) with a small concentration of xenon is a technique for light-shifting and facilitates the detection of the liquid argon scintillation light. In this paper, we present the results of the first doping test ever performed in a kiloton-scale LArTPC. From February to May 2020, we carried out this special run in the single-phase DUNE Far Detector prototype (ProtoDUNE-SP) at CERN, featuring 720 t of total liquid argon mass with 410 t of fiducial mass. A 5.4 ppm nitrogen contamination was present during the xenon doping campaign. The goal of the run was to measure the light and charge response of the detector to the addition of xenon, up to a concentration of 18.8 ppm. The main purpose was to test the possibility for reduction of non-uniformities in light collection, caused by deployment of photon detectors only within the anode planes. Light collection was analysed as a function of the xenon concentration, by using the pre-existing photon detection system (PDS) of ProtoDUNE-SP and an additional smaller set-up installed specifically for this run. In this paper we first summarize our current understanding of the argon-xenon energy transfer process and the impact of the presence of nitrogen in argon with and without xenon dopant. We then describe the key elements of ProtoDUNE-SP and the injection method deployed. Two dedicated photon detectors were able to collect the light produced by xenon and the total light. The ratio of these components was measured to be about 0.65 as 18.8 ppm of xenon were injected. We performed studies of the collection efficiency as a function of the distance between tracks and light detectors, demonstrating enhanced uniformity of response for the anode-mounted PDS. We also show that xenon doping can substantially recover light losses due to contamination of the liquid argon by nitrogen. △ Less

Submitted 2 August, 2024; v1 submitted 2 February, 2024; originally announced February 2024.

Comments: 36 pages, 20 figures. Corrected author list; corrected typos across paper and polished text

Report number: CERN-EP-2024-024; FERMILAB-PUB-23-0819-LBNF

Journal ref: JINST 19 P08005 (2024)

Learning About Structural Errors in Models of Complex Dynamical Systems

Authors: Jin-Long Wu, Matthew E. Levine, Tapio Schneider, Andrew Stuart

Abstract: Complex dynamical systems are notoriously difficult to model because some degrees of freedom (e.g., small scales) may be computationally unresolvable or are incompletely understood, yet they are dynamically important. For example, the small scales of cloud dynamics and droplet formation are crucial for controlling climate, yet are unresolvable in global climate models. Semi-empirical closure model… ▽ More Complex dynamical systems are notoriously difficult to model because some degrees of freedom (e.g., small scales) may be computationally unresolvable or are incompletely understood, yet they are dynamically important. For example, the small scales of cloud dynamics and droplet formation are crucial for controlling climate, yet are unresolvable in global climate models. Semi-empirical closure models for the effects of unresolved degrees of freedom often exist and encode important domain-specific knowledge. Building on such closure models and correcting them through learning the structural errors can be an effective way of fusing data with domain knowledge. Here we describe a general approach, principles, and algorithms for learning about structural errors. Key to our approach is to include structural error models inside the models of complex systems, for example, in closure models for unresolved scales. The structural errors then map, usually nonlinearly, to observable data. As a result, however, mismatches between model output and data are only indirectly informative about structural errors, due to a lack of labeled pairs of inputs and outputs of structural error models. Additionally, derivatives of the model may not exist or be readily available. We discuss how structural error models can be learned from indirect data with derivative-free Kalman inversion algorithms and variants, how sparsity constraints enforce a "do no harm" principle, and various ways of modeling structural errors. We also discuss the merits of using non-local and/or stochastic error models. In addition, we demonstrate how data assimilation techniques can assist the learning about structural errors in non-ergodic systems. The concepts and algorithms are illustrated in two numerical examples based on the Lorenz-96 system and a human glucose-insulin model. △ Less

Submitted 28 May, 2024; v1 submitted 29 December, 2023; originally announced January 2024.

Comments: 40 pages, 13 figures

MSC Class: 68T01

The DUNE Far Detector Vertical Drift Technology, Technical Design Report

Authors: DUNE Collaboration, A. Abed Abud, B. Abi, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, D. Adams, M. Adinolfi, C. Adriano, A. Aduszkiewicz, J. Aguilar, B. Aimard, F. Akbar, K. Allison, S. Alonso Monsalve, M. Alrashed, A. Alton, R. Alvarez, H. Amar, P. Amedo, J. Anderson, D. A. Andrade, C. Andreopoulos , et al. (1304 additional authors not shown)

Abstract: DUNE is an international experiment dedicated to addressing some of the questions at the forefront of particle physics and astrophysics, including the mystifying preponderance of matter over antimatter in the early universe. The dual-site experiment will employ an intense neutrino beam focused on a near and a far detector as it aims to determine the neutrino mass hierarchy and to make high-precisi… ▽ More DUNE is an international experiment dedicated to addressing some of the questions at the forefront of particle physics and astrophysics, including the mystifying preponderance of matter over antimatter in the early universe. The dual-site experiment will employ an intense neutrino beam focused on a near and a far detector as it aims to determine the neutrino mass hierarchy and to make high-precision measurements of the PMNS matrix parameters, including the CP-violating phase. It will also stand ready to observe supernova neutrino bursts, and seeks to observe nucleon decay as a signature of a grand unified theory underlying the standard model. The DUNE far detector implements liquid argon time-projection chamber (LArTPC) technology, and combines the many tens-of-kiloton fiducial mass necessary for rare event searches with the sub-centimeter spatial resolution required to image those events with high precision. The addition of a photon detection system enhances physics capabilities for all DUNE physics drivers and opens prospects for further physics explorations. Given its size, the far detector will be implemented as a set of modules, with LArTPC designs that differ from one another as newer technologies arise. In the vertical drift LArTPC design, a horizontal cathode bisects the detector, creating two stacked drift volumes in which ionization charges drift towards anodes at either the top or bottom. The anodes are composed of perforated PCB layers with conductive strips, enabling reconstruction in 3D. Light-trap-style photon detection modules are placed both on the cryostat's side walls and on the central cathode where they are optically powered. This Technical Design Report describes in detail the technical implementations of each subsystem of this LArTPC that, together with the other far detector modules and the near detector, will enable DUNE to achieve its physics goals. △ Less

Submitted 5 December, 2023; originally announced December 2023.

Comments: 425 pages; 281 figures Central editing team: A. Heavey, S. Kettell, A. Marchionni, S. Palestini, S. Rajogopalan, R. J. Wilson

Report number: Fermilab Report no: TM-2813-LBNF

Strong Light-Matter Coupling Facilitated Charge Carrier Transport in Cavity Organic Solar Cells

Authors: Yahui Tang, Alexandra Stuart, Timothy van der Laan, Girish Lakhwani

Abstract: Strong light-matter coupling has shown great potential for modifying the electro-optical properties of semiconducting materials in recent years. In the strong coupling regime, excitons and cavity photons form new states named exciton-polaritons, with their properties a hybrid of each constituent. Herein, we report strong coupling observed in solution-processed donor:acceptor bulk-heterojunction or… ▽ More Strong light-matter coupling has shown great potential for modifying the electro-optical properties of semiconducting materials in recent years. In the strong coupling regime, excitons and cavity photons form new states named exciton-polaritons, with their properties a hybrid of each constituent. Herein, we report strong coupling observed in solution-processed donor:acceptor bulk-heterojunction organic solar cells (OSCs) evidenced by the observed Rabi splitting of ~300 meV and the effects of strong coupling on OSC operations. Combining the transient photovoltage decay measurement and nanosecond transient absorption spectroscopy, our results reveal that the effective charge carrier lifetimes are longer in cavity devices, attributed to the reduced bimolecular recombination. It is also found that access to CT state(s) of higher energy is enabled in cavity devices. This study demonstrates that strong coupling can effectively modify the device- and photo-physics in OSCs and opens a new pathway for engineering more efficient OSCs. △ Less

Submitted 22 November, 2023; originally announced November 2023.

Modeling groundwater levels in California's Central Valley by hierarchical Gaussian process and neural network regression

Authors: Anshuman Pradhan, Kyra H. Adams, Venkat Chandrasekaran, Zhen Liu, John T. Reager, Andrew M. Stuart, Michael J. Turmon

Abstract: Modeling groundwater levels continuously across California's Central Valley (CV) hydrological system is challenging due to low-quality well data which is sparsely and noisily sampled across time and space. The lack of consistent well data makes it difficult to evaluate the impact of 2017 and 2019 wet years on CV groundwater following a severe drought during 2012-2015. A novel machine learning meth… ▽ More Modeling groundwater levels continuously across California's Central Valley (CV) hydrological system is challenging due to low-quality well data which is sparsely and noisily sampled across time and space. The lack of consistent well data makes it difficult to evaluate the impact of 2017 and 2019 wet years on CV groundwater following a severe drought during 2012-2015. A novel machine learning method is formulated for modeling groundwater levels by learning from a 3D lithological texture model of the CV aquifer. The proposed formulation performs multivariate regression by combining Gaussian processes (GP) and deep neural networks (DNN). The hierarchical modeling approach constitutes training the DNN to learn a lithologically informed latent space where non-parametric regression with GP is performed. We demonstrate the efficacy of GP-DNN regression for modeling non-stationary features in the well data with fast and reliable uncertainty quantification, as validated to be statistically consistent with the empirical data distribution from 90 blind wells across CV. We show how the model predictions may be used to supplement hydrological understanding of aquifer responses in basins with irregular well data. Our results indicate that on average the 2017 and 2019 wet years in California were largely ineffective in replenishing the groundwater loss caused during previous drought years. △ Less

Submitted 11 October, 2024; v1 submitted 23 October, 2023; originally announced October 2023.

Nitrogen-Doped Ti$_3$C$_2$T$_x$ Coated with a Molecularly Imprinted Polymer as Efficient Cathode Material for Lithium-Sulfur Batteries

Authors: Feng Yan, Liqiang Lu, Chongan Ye, Qi Chen, Sumit Kumar, Wenjian Li, Hamoon Hemmatpour, Konstantinos Spyrou, Sytze de Graaf, Marc C. A. Stuart, Bart J. Kooi, Dimitrios P. Gournis, Katja Loos, Yutao Pei, Petra Rudolf

Abstract: Due to their high energy density (2600 Wh/kg), low cost, and low environmental impact, lithium-sulfur batteries are considered a promising alternative to lithium-ion batteries. However, their commercial viability remains a formidable scientific challenge mainly because of the sluggish reaction kinetics at the cathode and the so-called "shuttling effect" of soluble polysulfides, which results in ca… ▽ More Due to their high energy density (2600 Wh/kg), low cost, and low environmental impact, lithium-sulfur batteries are considered a promising alternative to lithium-ion batteries. However, their commercial viability remains a formidable scientific challenge mainly because of the sluggish reaction kinetics at the cathode and the so-called "shuttling effect" of soluble polysulfides, which results in capacity decay and a shortened lifespan. Herein, molecular imprinting with Li$_2$S$_8$ as a target molecule in combination with a two-dimensional material, MXene, is proposed to overcome these issues. Molecularly imprinted polymer-coated nitrogen-doped Ti-based MXene was successfully synthesized and demonstrated to exhibit an appealing electrochemical performance, namely a high specific capacity of 1095 mAh/g at 0.1 C and an extended cycling stability (300 mAh/g at 1.0 C after 300 cycles). X-ray photoelectron spectroscopy was applied to elucidate the underlying mechanisms and proved that Li$_2$S$_8$-imprinted polymer polyacrylamide serves as a polysulfide trap through strong chemical affinity towards the long-chain lithium polysulfides, while N-doped Ti-based MXene promotes the redox kinetics by accelerating the conversion of lithium polysulfides. This distinct interfacial strategy is expected to result in more effective and stable Li-S batteries. △ Less

Submitted 19 August, 2023; originally announced August 2023.

Highly-parallelized simulation of a pixelated LArTPC on a GPU

Authors: DUNE Collaboration, A. Abed Abud, B. Abi, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, D. Adams, M. Adinolfi, C. Adriano, A. Aduszkiewicz, J. Aguilar, Z. Ahmad, J. Ahmed, B. Aimard, F. Akbar, K. Allison, S. Alonso Monsalve, M. Alrashed, C. Alt, A. Alton, R. Alvarez, P. Amedo, J. Anderson , et al. (1282 additional authors not shown)

Abstract: The rapid development of general-purpose computing on graphics processing units (GPGPU) is allowing the implementation of highly-parallelized Monte Carlo simulation chains for particle physics experiments. This technique is particularly suitable for the simulation of a pixelated charge readout for time projection chambers, given the large number of channels that this technology employs. Here we pr… ▽ More The rapid development of general-purpose computing on graphics processing units (GPGPU) is allowing the implementation of highly-parallelized Monte Carlo simulation chains for particle physics experiments. This technique is particularly suitable for the simulation of a pixelated charge readout for time projection chambers, given the large number of channels that this technology employs. Here we present the first implementation of a full microphysical simulator of a liquid argon time projection chamber (LArTPC) equipped with light readout and pixelated charge readout, developed for the DUNE Near Detector. The software is implemented with an end-to-end set of GPU-optimized algorithms. The algorithms have been written in Python and translated into CUDA kernels using Numba, a just-in-time compiler for a subset of Python and NumPy instructions. The GPU implementation achieves a speed up of four orders of magnitude compared with the equivalent CPU version. The simulation of the current induced on $10^3$ pixels takes around 1 ms on the GPU, compared with approximately 10 s on the CPU. The results of the simulation are compared against data from a pixel-readout LArTPC prototype. △ Less

Submitted 28 February, 2023; v1 submitted 19 December, 2022; originally announced December 2022.

Comments: 26 pages, 15 figures

Report number: FERMILAB-PUB-22-926-LBNF

Journal ref: JINST 2023 18 P04034

Identification and reconstruction of low-energy electrons in the ProtoDUNE-SP detector

Authors: DUNE Collaboration, A. Abed Abud, B. Abi, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, D. Adams, M. Adinolfi, C. Adriano, A. Aduszkiewicz, J. Aguilar, Z. Ahmad, J. Ahmed, B. Aimard, F. Akbar, K. Allison, S. Alonso Monsalve, M. Alrashed, C. Alt, A. Alton, R. Alvarez, P. Amedo, J. Anderson , et al. (1235 additional authors not shown)

Abstract: Measurements of electrons from $ν_e$ interactions are crucial for the Deep Underground Neutrino Experiment (DUNE) neutrino oscillation program, as well as searches for physics beyond the standard model, supernova neutrino detection, and solar neutrino measurements. This article describes the selection and reconstruction of low-energy (Michel) electrons in the ProtoDUNE-SP detector. ProtoDUNE-SP is… ▽ More Measurements of electrons from $ν_e$ interactions are crucial for the Deep Underground Neutrino Experiment (DUNE) neutrino oscillation program, as well as searches for physics beyond the standard model, supernova neutrino detection, and solar neutrino measurements. This article describes the selection and reconstruction of low-energy (Michel) electrons in the ProtoDUNE-SP detector. ProtoDUNE-SP is one of the prototypes for the DUNE far detector, built and operated at CERN as a charged particle test beam experiment. A sample of low-energy electrons produced by the decay of cosmic muons is selected with a purity of 95%. This sample is used to calibrate the low-energy electron energy scale with two techniques. An electron energy calibration based on a cosmic ray muon sample uses calibration constants derived from measured and simulated cosmic ray muon events. Another calibration technique makes use of the theoretically well-understood Michel electron energy spectrum to convert reconstructed charge to electron energy. In addition, the effects of detector response to low-energy electron energy scale and its resolution including readout electronics threshold effects are quantified. Finally, the relation between the theoretical and reconstructed low-energy electron energy spectrum is derived and the energy resolution is characterized. The low-energy electron selection presented here accounts for about 75% of the total electron deposited energy. After the addition of lost energy using a Monte Carlo simulation, the energy resolution improves from about 40% to 25% at 50~MeV. These results are used to validate the expected capabilities of the DUNE far detector to reconstruct low-energy electrons. △ Less

Submitted 31 May, 2023; v1 submitted 2 November, 2022; originally announced November 2022.

Comments: 19 pages, 10 figures

Report number: FERMILAB-PUB-22-784, CERN-EP-DRAFT-MISC-2022-008

Journal ref: Phys. Rev. D 107, 092012 (2023)

Reconstruction of interactions in the ProtoDUNE-SP detector with Pandora

Authors: DUNE Collaboration, A. Abed Abud, B. Abi, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, D. Adams, M. Adinolfi, C. Adriano, A. Aduszkiewicz, J. Aguilar, Z. Ahmad, J. Ahmed, B. Aimard, F. Akbar, B. Ali-Mohammadzadeh, K. Allison, S. Alonso Monsalve, M. AlRashed, C. Alt, A. Alton, R. Alvarez, P. Amedo , et al. (1203 additional authors not shown)

Abstract: The Pandora Software Development Kit and algorithm libraries provide pattern-recognition logic essential to the reconstruction of particle interactions in liquid argon time projection chamber detectors. Pandora is the primary event reconstruction software used at ProtoDUNE-SP, a prototype for the Deep Underground Neutrino Experiment far detector. ProtoDUNE-SP, located at CERN, is exposed to a char… ▽ More The Pandora Software Development Kit and algorithm libraries provide pattern-recognition logic essential to the reconstruction of particle interactions in liquid argon time projection chamber detectors. Pandora is the primary event reconstruction software used at ProtoDUNE-SP, a prototype for the Deep Underground Neutrino Experiment far detector. ProtoDUNE-SP, located at CERN, is exposed to a charged-particle test beam. This paper gives an overview of the Pandora reconstruction algorithms and how they have been tailored for use at ProtoDUNE-SP. In complex events with numerous cosmic-ray and beam background particles, the simulated reconstruction and identification efficiency for triggered test-beam particles is above 80% for the majority of particle type and beam momentum combinations. Specifically, simulated 1 GeV/$c$ charged pions and protons are correctly reconstructed and identified with efficiencies of 86.1$\pm0.6$% and 84.1$\pm0.6$%, respectively. The efficiencies measured for test-beam data are shown to be within 5% of those predicted by the simulation. △ Less

Submitted 17 July, 2023; v1 submitted 29 June, 2022; originally announced June 2022.

Comments: 39 pages, 20 figures. Accepted version. Published version available in Eur. Phys. J. C 83, 618 (2023) https://doi.org/10.1140/epjc/s10052-023-11733-2

Report number: FERMILAB-PUB-22-488-AD-ESH-LBNF-ND-SCD, CERN-EP-DRAFT-MISC-2022-007

Journal ref: Eur. Phys. J. C 83, 618 (2023)

Separation of track- and shower-like energy deposits in ProtoDUNE-SP using a convolutional neural network

Authors: DUNE Collaboration, A. Abed Abud, B. Abi, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, D. Adams, M. Adinolfi, A. Aduszkiewicz, J. Aguilar, Z. Ahmad, J. Ahmed, B. Aimard, B. Ali-Mohammadzadeh, T. Alion, K. Allison, S. Alonso Monsalve, M. AlRashed, C. Alt, A. Alton, R. Alvarez, P. Amedo, J. Anderson , et al. (1204 additional authors not shown)

Abstract: Liquid argon time projection chamber detector technology provides high spatial and calorimetric resolutions on the charged particles traversing liquid argon. As a result, the technology has been used in a number of recent neutrino experiments, and is the technology of choice for the Deep Underground Neutrino Experiment (DUNE). In order to perform high precision measurements of neutrinos in the det… ▽ More Liquid argon time projection chamber detector technology provides high spatial and calorimetric resolutions on the charged particles traversing liquid argon. As a result, the technology has been used in a number of recent neutrino experiments, and is the technology of choice for the Deep Underground Neutrino Experiment (DUNE). In order to perform high precision measurements of neutrinos in the detector, final state particles need to be effectively identified, and their energy accurately reconstructed. This article proposes an algorithm based on a convolutional neural network to perform the classification of energy deposits and reconstructed particles as track-like or arising from electromagnetic cascades. Results from testing the algorithm on data from ProtoDUNE-SP, a prototype of the DUNE far detector, are presented. The network identifies track- and shower-like particles, as well as Michel electrons, with high efficiency. The performance of the algorithm is consistent between data and simulation. △ Less

Submitted 30 June, 2022; v1 submitted 31 March, 2022; originally announced March 2022.

Comments: 31 pages, 15 figures

Report number: FERMILAB-PUB-22-240-AD-ESH-LBNF-ND-SCD, CERN-EP-2022-077

Journal ref: Eur.Phys.J.C 82 (2022) 10, 903

Scintillation light detection in the 6-m drift-length ProtoDUNE Dual Phase liquid argon TPC

Authors: DUNE Collaboration, A. Abed Abud, B. Abi, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, M. Adamowski, D. Adams, M. Adinolfi, A. Aduszkiewicz, J. Aguilar, Z. Ahmad, J. Ahmed, B. Aimard, B. Ali-Mohammadzadeh, T. Alion, K. Allison, S. Alonso Monsalve, M. AlRashed, C. Alt, A. Alton, R. Alvarez, P. Amedo, J. Anderson , et al. (1202 additional authors not shown)

Abstract: DUNE is a dual-site experiment for long-baseline neutrino oscillation studies, neutrino astrophysics and nucleon decay searches. ProtoDUNE Dual Phase (DP) is a 6x6x6m3 liquid argon time-projection-chamber (LArTPC) that recorded cosmic-muon data at the CERN Neutrino Platform in 2019-2020 as a prototype of the DUNE Far Detector. Charged particles propagating through the LArTPC produce ionization and… ▽ More DUNE is a dual-site experiment for long-baseline neutrino oscillation studies, neutrino astrophysics and nucleon decay searches. ProtoDUNE Dual Phase (DP) is a 6x6x6m3 liquid argon time-projection-chamber (LArTPC) that recorded cosmic-muon data at the CERN Neutrino Platform in 2019-2020 as a prototype of the DUNE Far Detector. Charged particles propagating through the LArTPC produce ionization and scintillation light. The scintillation light signal in these detectors can provide the trigger for non-beam events. In addition, it adds precise timing capabilities and improves the calorimetry measurements. In ProtoDUNE-DP, scintillation and electroluminescence light produced by cosmic muons in the LArTPC is collected by photomultiplier tubes placed up to 7 m away from the ionizing track. In this paper, the ProtoDUNE-DP photon detection system performance is evaluated with a particular focus on the different wavelength shifters, such as PEN and TPB, and the use of Xe-doped LAr, considering its future use in giant LArTPCs. The scintillation light production and propagation processes are analyzed and a comparison of simulation to data is performed, improving understanding of the liquid argon properties △ Less

Submitted 3 June, 2022; v1 submitted 30 March, 2022; originally announced March 2022.

Comments: 31 pages, 29 figures

Report number: CERN-EP-DRAFT-MISC-2022-003; FERMILAB-PUB-22-242-LBNF

Low exposure long-baseline neutrino oscillation sensitivity of the DUNE experiment

Authors: DUNE Collaboration, A. Abed Abud, B. Abi, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, D. Adams, M. Adinolfi, A. Aduszkiewicz, J. Aguilar, Z. Ahmad, J. Ahmed, B. Aimard, B. Ali-Mohammadzadeh, T. Alion, K. Allison, S. Alonso Monsalve, M. AlRashed, C. Alt, A. Alton, P. Amedo, J. Anderson, C. Andreopoulos, M. Andreotti , et al. (1132 additional authors not shown)

Abstract: The Deep Underground Neutrino Experiment (DUNE) will produce world-leading neutrino oscillation measurements over the lifetime of the experiment. In this work, we explore DUNE's sensitivity to observe charge-parity violation (CPV) in the neutrino sector, and to resolve the mass ordering, for exposures of up to 100 kiloton-megawatt-years (kt-MW-yr). The analysis includes detailed uncertainties on t… ▽ More The Deep Underground Neutrino Experiment (DUNE) will produce world-leading neutrino oscillation measurements over the lifetime of the experiment. In this work, we explore DUNE's sensitivity to observe charge-parity violation (CPV) in the neutrino sector, and to resolve the mass ordering, for exposures of up to 100 kiloton-megawatt-years (kt-MW-yr). The analysis includes detailed uncertainties on the flux prediction, the neutrino interaction model, and detector effects. We demonstrate that DUNE will be able to unambiguously resolve the neutrino mass ordering at a 3$σ$ (5$σ$) level, with a 66 (100) kt-MW-yr far detector exposure, and has the ability to make strong statements at significantly shorter exposures depending on the true value of other oscillation parameters. We also show that DUNE has the potential to make a robust measurement of CPV at a 3$σ$ level with a 100 kt-MW-yr exposure for the maximally CP-violating values $δ_{\rm CP}} = \pmπ/2$. Additionally, the dependence of DUNE's sensitivity on the exposure taken in neutrino-enhanced and antineutrino-enhanced running is discussed. An equal fraction of exposure taken in each beam mode is found to be close to optimal when considered over the entire space of interest. △ Less

Submitted 3 September, 2021; originally announced September 2021.

Report number: FERMILAB-PUB-21-391-ND

Design, construction and operation of the ProtoDUNE-SP Liquid Argon TPC

Authors: DUNE Collaboration, A. Abed Abud, B. Abi, R. Acciarri, M. A. Acero, M. R. Adames, G. Adamov, D. Adams, M. Adinolfi, A. Aduszkiewicz, J. Aguilar, Z. Ahmad, J. Ahmed, B. Ali-Mohammadzadeh, T. Alion, K. Allison, S. Alonso Monsalve, M. Alrashed, C. Alt, A. Alton, P. Amedo, J. Anderson, C. Andreopoulos, M. Andreotti, M. P. Andrews , et al. (1158 additional authors not shown)

Abstract: The ProtoDUNE-SP detector is a single-phase liquid argon time projection chamber (LArTPC) that was constructed and operated in the CERN North Area at the end of the H4 beamline. This detector is a prototype for the first far detector module of the Deep Underground Neutrino Experiment (DUNE), which will be constructed at the Sandford Underground Research Facility (SURF) in Lead, South Dakota, USA.… ▽ More The ProtoDUNE-SP detector is a single-phase liquid argon time projection chamber (LArTPC) that was constructed and operated in the CERN North Area at the end of the H4 beamline. This detector is a prototype for the first far detector module of the Deep Underground Neutrino Experiment (DUNE), which will be constructed at the Sandford Underground Research Facility (SURF) in Lead, South Dakota, USA. The ProtoDUNE-SP detector incorporates full-size components as designed for DUNE and has an active volume of $7\times 6\times 7.2$~m$^3$. The H4 beam delivers incident particles with well-measured momenta and high-purity particle identification. ProtoDUNE-SP's successful operation between 2018 and 2020 demonstrates the effectiveness of the single-phase far detector design. This paper describes the design, construction, assembly and operation of the detector components. △ Less

Submitted 23 September, 2021; v1 submitted 4 August, 2021; originally announced August 2021.

Deep Underground Neutrino Experiment (DUNE) Near Detector Conceptual Design Report

Authors: A. Abed Abud, B. Abi, R. Acciarri, M. A. Acero, G. Adamov, D. Adams, M. Adinolfi, A. Aduszkiewicz, Z. Ahmad, J. Ahmed, T. Alion, S. Alonso Monsalve, M. Alrashed, C. Alt, A. Alton, P. Amedo, J. Anderson, C. Andreopoulos, M. P. Andrews, F. Andrianala, S. Andringa, N. Anfimov, A. Ankowski, M. Antonova, S. Antusch , et al. (1041 additional authors not shown)

Abstract: This report describes the conceptual design of the DUNE near detector This report describes the conceptual design of the DUNE near detector △ Less

Submitted 25 March, 2021; originally announced March 2021.

Comments: 314 pages, 185 figures

Report number: FERMILAB-PUB-21-067-E-LBNF-PPD-SCD-T

Supernova Neutrino Burst Detection with the Deep Underground Neutrino Experiment

Authors: DUNE collaboration, B. Abi, R. Acciarri, M. A. Acero, G. Adamov, D. Adams, M. Adinolfi, Z. Ahmad, J. Ahmed, T. Alion, S. Alonso Monsalve, C. Alt, J. Anderson, C. Andreopoulos, M. P. Andrews, F. Andrianala, S. Andringa, A. Ankowski, M. Antonova, S. Antusch, A. Aranda-Fernandez, A. Ariga, L. O. Arnold, M. A. Arroyave, J. Asaadi , et al. (949 additional authors not shown)

Abstract: The Deep Underground Neutrino Experiment (DUNE), a 40-kton underground liquid argon time projection chamber experiment, will be sensitive to the electron-neutrino flavor component of the burst of neutrinos expected from the next Galactic core-collapse supernova. Such an observation will bring unique insight into the astrophysics of core collapse as well as into the properties of neutrinos. The gen… ▽ More The Deep Underground Neutrino Experiment (DUNE), a 40-kton underground liquid argon time projection chamber experiment, will be sensitive to the electron-neutrino flavor component of the burst of neutrinos expected from the next Galactic core-collapse supernova. Such an observation will bring unique insight into the astrophysics of core collapse as well as into the properties of neutrinos. The general capabilities of DUNE for neutrino detection in the relevant few- to few-tens-of-MeV neutrino energy range will be described. As an example, DUNE's ability to constrain the $ν_e$ spectral parameters of the neutrino burst will be considered. △ Less

Submitted 29 May, 2021; v1 submitted 15 August, 2020; originally announced August 2020.

Comments: 29 pages, 17 figures; paper based on DUNE Technical Design Report. arXiv admin note: substantial text overlap with arXiv:2002.03005

Report number: FERMILAB-PUB-20-380-LBNF

First results on ProtoDUNE-SP liquid argon time projection chamber performance from a beam test at the CERN Neutrino Platform

Authors: DUNE Collaboration, B. Abi, A. Abed Abud, R. Acciarri, M. A. Acero, G. Adamov, M. Adamowski, D. Adams, P. Adrien, M. Adinolfi, Z. Ahmad, J. Ahmed, T. Alion, S. Alonso Monsalve, C. Alt, J. Anderson, C. Andreopoulos, M. P. Andrews, F. Andrianala, S. Andringa, A. Ankowski, M. Antonova, S. Antusch, A. Aranda-Fernandez, A. Ariga , et al. (970 additional authors not shown)

Abstract: The ProtoDUNE-SP detector is a single-phase liquid argon time projection chamber with an active volume of $7.2\times 6.0\times 6.9$ m$^3$. It is installed at the CERN Neutrino Platform in a specially-constructed beam that delivers charged pions, kaons, protons, muons and electrons with momenta in the range 0.3 GeV$/c$ to 7 GeV/$c$. Beam line instrumentation provides accurate momentum measurements… ▽ More The ProtoDUNE-SP detector is a single-phase liquid argon time projection chamber with an active volume of $7.2\times 6.0\times 6.9$ m$^3$. It is installed at the CERN Neutrino Platform in a specially-constructed beam that delivers charged pions, kaons, protons, muons and electrons with momenta in the range 0.3 GeV$/c$ to 7 GeV/$c$. Beam line instrumentation provides accurate momentum measurements and particle identification. The ProtoDUNE-SP detector is a prototype for the first far detector module of the Deep Underground Neutrino Experiment, and it incorporates full-size components as designed for that module. This paper describes the beam line, the time projection chamber, the photon detectors, the cosmic-ray tagger, the signal processing and particle reconstruction. It presents the first results on ProtoDUNE-SP's performance, including noise and gain measurements, $dE/dx$ calibration for muons, protons, pions and electrons, drift electron lifetime measurements, and photon detector noise, signal sensitivity and time resolution measurements. The measured values meet or exceed the specifications for the DUNE far detector, in several cases by large margins. ProtoDUNE-SP's successful operation starting in 2018 and its production of large samples of high-quality data demonstrate the effectiveness of the single-phase far detector design. △ Less

Submitted 3 June, 2021; v1 submitted 13 July, 2020; originally announced July 2020.

Comments: 93 pages, 70 figures

Report number: FERMILAB-PUB-20-059-AD-ESH-LBNF-ND-SCD, CERN-EP-2020-125

Journal ref: JINST 15 (2020) P12004

Neutrino interaction classification with a convolutional neural network in the DUNE far detector

Authors: DUNE Collaboration, B. Abi, R. Acciarri, M. A. Acero, G. Adamov, D. Adams, M. Adinolfi, Z. Ahmad, J. Ahmed, T. Alion, S. Alonso Monsalve, C. Alt, J. Anderson, C. Andreopoulos, M. P. Andrews, F. Andrianala, S. Andringa, A. Ankowski, M. Antonova, S. Antusch, A. Aranda-Fernandez, A. Ariga, L. O. Arnold, M. A. Arroyave, J. Asaadi , et al. (951 additional authors not shown)

Abstract: The Deep Underground Neutrino Experiment is a next-generation neutrino oscillation experiment that aims to measure $CP$-violation in the neutrino sector as part of a wider physics program. A deep learning approach based on a convolutional neural network has been developed to provide highly efficient and pure selections of electron neutrino and muon neutrino charged-current interactions. The electr… ▽ More The Deep Underground Neutrino Experiment is a next-generation neutrino oscillation experiment that aims to measure $CP$-violation in the neutrino sector as part of a wider physics program. A deep learning approach based on a convolutional neural network has been developed to provide highly efficient and pure selections of electron neutrino and muon neutrino charged-current interactions. The electron neutrino (antineutrino) selection efficiency peaks at 90% (94%) and exceeds 85% (90%) for reconstructed neutrino energies between 2-5 GeV. The muon neutrino (antineutrino) event selection is found to have a maximum efficiency of 96% (97%) and exceeds 90% (95%) efficiency for reconstructed neutrino energies above 2 GeV. When considering all electron neutrino and antineutrino interactions as signal, a selection purity of 90% is achieved. These event selections are critical to maximize the sensitivity of the experiment to $CP$-violating effects. △ Less

Submitted 10 November, 2020; v1 submitted 26 June, 2020; originally announced June 2020.

Comments: 39 pages, 11 figures

Journal ref: Phys. Rev. D 102, 092003 (2020)

The Random Feature Model for Input-Output Maps between Banach Spaces

Authors: Nicholas H. Nelsen, Andrew M. Stuart

Abstract: Well known to the machine learning community, the random feature model is a parametric approximation to kernel interpolation or regression methods. It is typically used to approximate functions mapping a finite-dimensional input space to the real line. In this paper, we instead propose a methodology for use of the random feature model as a data-driven surrogate for operators that map an input Bana… ▽ More Well known to the machine learning community, the random feature model is a parametric approximation to kernel interpolation or regression methods. It is typically used to approximate functions mapping a finite-dimensional input space to the real line. In this paper, we instead propose a methodology for use of the random feature model as a data-driven surrogate for operators that map an input Banach space to an output Banach space. Although the methodology is quite general, we consider operators defined by partial differential equations (PDEs); here, the inputs and outputs are themselves functions, with the input parameters being functions required to specify the problem, such as initial data or coefficients, and the outputs being solutions of the problem. Upon discretization, the model inherits several desirable attributes from this infinite-dimensional viewpoint, including mesh-invariant approximation error with respect to the true PDE solution map and the capability to be trained at one mesh resolution and then deployed at different mesh resolutions. We view the random feature model as a non-intrusive data-driven emulator, provide a mathematical framework for its interpretation, and demonstrate its ability to efficiently and accurately approximate the nonlinear parameter-to-solution maps of two prototypical PDEs arising in physical science and engineering applications: viscous Burgers' equation and a variable coefficient elliptic equation. △ Less

Submitted 5 June, 2021; v1 submitted 20 May, 2020; originally announced May 2020.

Comments: To appear in SIAM Journal on Scientific Computing; 32 pages, 9 figures

MSC Class: 65D15; 65D40; 62M45; 35R60

Journal ref: SIAM J. Sci. Comput. Vol. 43 No. 5 (2021) pp. A3212-A3243

Kernel Analog Forecasting: Multiscale Test Problems

Authors: Dmitry Burov, Dimitrios Giannakis, Krithika Manohar, Andrew Stuart

Abstract: Data-driven prediction is becoming increasingly widespread as the volume of data available grows and as algorithmic development matches this growth. The nature of the predictions made, and the manner in which they should be interpreted, depends crucially on the extent to which the variables chosen for prediction are Markovian, or approximately Markovian. Multiscale systems provide a framework in w… ▽ More Data-driven prediction is becoming increasingly widespread as the volume of data available grows and as algorithmic development matches this growth. The nature of the predictions made, and the manner in which they should be interpreted, depends crucially on the extent to which the variables chosen for prediction are Markovian, or approximately Markovian. Multiscale systems provide a framework in which this issue can be analyzed. In this work kernel analog forecasting methods are studied from the perspective of data generated by multiscale dynamical systems. The problems chosen exhibit a variety of different Markovian closures, using both averaging and homogenization; furthermore, settings where scale-separation is not present and the predicted variables are non-Markovian, are also considered. The studies provide guidance for the interpretation of data-driven prediction methods when used in practice. △ Less

Submitted 20 November, 2020; v1 submitted 13 May, 2020; originally announced May 2020.

Comments: 30 pages, 14 figures; clarified several ambiguous parts, added references, and a comparison with Lorenz' original method (Sec. 4.5)

MSC Class: 37M10; 34E13; 58J65

Learning Stochastic Closures Using Ensemble Kalman Inversion

Authors: Tapio Schneider, Andrew M. Stuart, Jin-Long Wu

Abstract: Although the governing equations of many systems, when derived from first principles, may be viewed as known, it is often too expensive to numerically simulate all the interactions they describe. Therefore researchers often seek simpler descriptions that describe complex phenomena without numerically resolving all the interacting components. Stochastic differential equations (SDEs) arise naturally… ▽ More Although the governing equations of many systems, when derived from first principles, may be viewed as known, it is often too expensive to numerically simulate all the interactions they describe. Therefore researchers often seek simpler descriptions that describe complex phenomena without numerically resolving all the interacting components. Stochastic differential equations (SDEs) arise naturally as models in this context. The growth in data acquisition, both through experiment and through simulations, provides an opportunity for the systematic derivation of SDE models in many disciplines. However, inconsistencies between SDEs and real data at short time scales often cause problems, when standard statistical methodology is applied to parameter estimation. The incompatibility between SDEs and real data can be addressed by deriving sufficient statistics from the time-series data and learning parameters of SDEs based on these. Following this approach, we formulate the fitting of SDEs to sufficient statistics from real data as an inverse problem and demonstrate that this inverse problem can be solved by using ensemble Kalman inversion (EKI). Furthermore, we create a framework for non-parametric learning of drift and diffusion terms by introducing hierarchical, refinable parameterizations of unknown functions, using Gaussian process regression. We demonstrate the proposed methodology for the fitting of SDE models, first in a simulation study with a noisy Lorenz '63 model, and then in other applications, including dimension reduction in deterministic chaotic systems arising in the atmospheric sciences, large-scale pattern modeling in climate dynamics, and simplified models for key observables arising in molecular dynamics. The results confirm that the proposed methodology provides a robust and systematic approach to fitting SDE models to real data. △ Less

Submitted 30 April, 2021; v1 submitted 17 April, 2020; originally announced April 2020.

Comments: 35 pages, 26 figures

Site characterization at downhole arrays by joint inversion of dispersion data and acceleration time series

Authors: Elnaz Seylabi, Andrew Stuart, Domniki Asimaki

Abstract: We present a sequential data assimilation algorithm based on the ensemble Kalman inversion to estimate the near-surface shear wave velocity profile and damping when heterogeneous data and a priori information that can be represented in forms of (physical) equality and inequality constraints in the inverse problem are available. Although non-invasive methods, such as surface wave testing, are effic… ▽ More We present a sequential data assimilation algorithm based on the ensemble Kalman inversion to estimate the near-surface shear wave velocity profile and damping when heterogeneous data and a priori information that can be represented in forms of (physical) equality and inequality constraints in the inverse problem are available. Although non-invasive methods, such as surface wave testing, are efficient and cost effective methods for inferring Vs profile, one should acknowledge that site characterization using inverse analyses can yield erroneous results associated with the inverse problem non-uniqueness. One viable solution to alleviate the inverse problem ill-posedness is to enrich the prior knowledge and/or the data space with complementary observations. In the case of non-invasive methods, the pertinent data are the dispersion curve of surface waves, typically resolved by means of active source methods at high frequencies and passive methods at low frequencies. To improve the inverse problem well-posedness, horizontal to vertical spectral ratio (HVSR) data are commonly used jointly with the dispersion data in the inversion. In this paper, we show that the joint inversion of dispersion and strong motion downhole array data can also reduce the margins of uncertainty in the Vs profile estimation. This is because acceleration time-series recorded at downhole arrays include both body and surface waves and therefore can enrich the observational data space in the inverse problem setting. We also show how the proposed algorithm can be modified to systematically incorporate physical constraints that further enhance its well-posedness. We use both synthetic and real data to examine the performance of the proposed framework in estimation of Vs profile and damping at the Garner Valley downhole array, and compare them against the Vs estimations in previous studies. △ Less

Submitted 14 April, 2020; originally announced April 2020.

Deep Underground Neutrino Experiment (DUNE), Far Detector Technical Design Report, Volume IV: Far Detector Single-phase Technology

Authors: B. Abi, R. Acciarri, Mario A. Acero, G. Adamov, D. Adams, M. Adinolfi, Z. Ahmad, J. Ahmed, T. Alion, S. Alonso Monsalve, C. Alt, J. Anderson, C. Andreopoulos, M. P. Andrews, F. Andrianala, S. Andringa, A. Ankowski, J. Anthony, M. Antonova, S. Antusch, A. Aranda Fernandez, A. Ariga, L. O. Arnold, M. A. Arroyave, J. Asaadi , et al. (941 additional authors not shown)

Abstract: The preponderance of matter over antimatter in the early universe, the dynamics of the supernovae that produced the heavy elements necessary for life, and whether protons eventually decay -- these mysteries at the forefront of particle physics and astrophysics are key to understanding the early evolution of our universe, its current state, and its eventual fate. DUNE is an international world-clas… ▽ More The preponderance of matter over antimatter in the early universe, the dynamics of the supernovae that produced the heavy elements necessary for life, and whether protons eventually decay -- these mysteries at the forefront of particle physics and astrophysics are key to understanding the early evolution of our universe, its current state, and its eventual fate. DUNE is an international world-class experiment dedicated to addressing these questions as it searches for leptonic charge-parity symmetry violation, stands ready to capture supernova neutrino bursts, and seeks to observe nucleon decay as a signature of a grand unified theory underlying the standard model. Central to achieving DUNE's physics program is a far detector that combines the many tens-of-kiloton fiducial mass necessary for rare event searches with sub-centimeter spatial resolution in its ability to image those events, allowing identification of the physics signatures among the numerous backgrounds. In the single-phase liquid argon time-projection chamber (LArTPC) technology, ionization charges drift horizontally in the liquid argon under the influence of an electric field towards a vertical anode, where they are read out with fine granularity. A photon detection system supplements the TPC, directly enhancing physics capabilities for all three DUNE physics drivers and opening up prospects for further physics explorations. The DUNE far detector technical design report (TDR) describes the DUNE physics program and the technical designs of the single- and dual-phase DUNE liquid argon TPC far detector modules. Volume IV presents an overview of the basic operating principles of a single-phase LArTPC, followed by a description of the DUNE implementation. Each of the subsystems is described in detail, connecting the high-level design requirements and decisions to the overriding physics goals of DUNE. △ Less

Submitted 8 September, 2020; v1 submitted 7 February, 2020; originally announced February 2020.

Comments: Minor corrections made for JINST submission, 673 pages, 312 figures (corrected errors in author list)

Report number: FERMILAB-PUB-20-027-ND

Deep Underground Neutrino Experiment (DUNE), Far Detector Technical Design Report, Volume III: DUNE Far Detector Technical Coordination

Authors: B. Abi, R. Acciarri, Mario A. Acero, G. Adamov, D. Adams, M. Adinolfi, Z. Ahmad, J. Ahmed, T. Alion, S. Alonso Monsalve, C. Alt, J. Anderson, C. Andreopoulos, M. P. Andrews, F. Andrianala, S. Andringa, A. Ankowski, J. Anthony, M. Antonova, S. Antusch, A. Aranda Fernandez, A. Ariga, L. O. Arnold, M. A. Arroyave, J. Asaadi , et al. (941 additional authors not shown)

Abstract: The preponderance of matter over antimatter in the early universe, the dynamics of the supernovae that produced the heavy elements necessary for life, and whether protons eventually decay -- these mysteries at the forefront of particle physics and astrophysics are key to understanding the early evolution of our universe, its current state, and its eventual fate. The Deep Underground Neutrino Exper… ▽ More The preponderance of matter over antimatter in the early universe, the dynamics of the supernovae that produced the heavy elements necessary for life, and whether protons eventually decay -- these mysteries at the forefront of particle physics and astrophysics are key to understanding the early evolution of our universe, its current state, and its eventual fate. The Deep Underground Neutrino Experiment (DUNE) is an international world-class experiment dedicated to addressing these questions as it searches for leptonic charge-parity symmetry violation, stands ready to capture supernova neutrino bursts, and seeks to observe nucleon decay as a signature of a grand unified theory underlying the standard model. The DUNE far detector technical design report (TDR) describes the DUNE physics program and the technical designs of the single- and dual-phase DUNE liquid argon TPC far detector modules. Volume III of this TDR describes how the activities required to design, construct, fabricate, install, and commission the DUNE far detector modules are organized and managed. This volume details the organizational structures that will carry out and/or oversee the planned far detector activities safely, successfully, on time, and on budget. It presents overviews of the facilities, supporting infrastructure, and detectors for context, and it outlines the project-related functions and methodologies used by the DUNE technical coordination organization, focusing on the areas of integration engineering, technical reviews, quality assurance and control, and safety oversight. Because of its more advanced stage of development, functional examples presented in this volume focus primarily on the single-phase (SP) detector module. △ Less

Submitted 8 September, 2020; v1 submitted 7 February, 2020; originally announced February 2020.

Comments: Minor corrections made for JINST submission, 209 pages, 55 figures (updated typos in Table A.5; corrected errors in author list)

Report number: FERMILAB-PUB-20-026-ND

Deep Underground Neutrino Experiment (DUNE), Far Detector Technical Design Report, Volume II: DUNE Physics

Authors: B. Abi, R. Acciarri, Mario A. Acero, G. Adamov, D. Adams, M. Adinolfi, Z. Ahmad, J. Ahmed, T. Alion, S. Alonso Monsalve, C. Alt, J. Anderson, C. Andreopoulos, M. P. Andrews, F. Andrianala, S. Andringa, A. Ankowski, J. Anthony, M. Antonova, S. Antusch, A. Aranda Fernandez, A. Ariga, L. O. Arnold, M. A. Arroyave, J. Asaadi , et al. (941 additional authors not shown)

Abstract: The preponderance of matter over antimatter in the early universe, the dynamics of the supernovae that produced the heavy elements necessary for life, and whether protons eventually decay -- these mysteries at the forefront of particle physics and astrophysics are key to understanding the early evolution of our universe, its current state, and its eventual fate. DUNE is an international world-clas… ▽ More The preponderance of matter over antimatter in the early universe, the dynamics of the supernovae that produced the heavy elements necessary for life, and whether protons eventually decay -- these mysteries at the forefront of particle physics and astrophysics are key to understanding the early evolution of our universe, its current state, and its eventual fate. DUNE is an international world-class experiment dedicated to addressing these questions as it searches for leptonic charge-parity symmetry violation, stands ready to capture supernova neutrino bursts, and seeks to observe nucleon decay as a signature of a grand unified theory underlying the standard model. The DUNE far detector technical design report (TDR) describes the DUNE physics program and the technical designs of the single- and dual-phase DUNE liquid argon TPC far detector modules. Volume II of this TDR, DUNE Physics, describes the array of identified scientific opportunities and key goals. Crucially, we also report our best current understanding of the capability of DUNE to realize these goals, along with the detailed arguments and investigations on which this understanding is based. This TDR volume documents the scientific basis underlying the conception and design of the LBNF/DUNE experimental configurations. As a result, the description of DUNE's experimental capabilities constitutes the bulk of the document. Key linkages between requirements for successful execution of the physics program and primary specifications of the experimental configurations are drawn and summarized. This document also serves a wider purpose as a statement on the scientific potential of DUNE as a central component within a global program of frontier theoretical and experimental particle physics research. Thus, the presentation also aims to serve as a resource for the particle physics community at large. △ Less

Submitted 25 March, 2020; v1 submitted 7 February, 2020; originally announced February 2020.

Comments: 357 pages, 165 figures (updated typos in Table 6.1 and corrected errors in author list)

Report number: FERMILAB-PUB-20-025-ND

Deep Underground Neutrino Experiment (DUNE), Far Detector Technical Design Report, Volume I: Introduction to DUNE

Authors: B. Abi, R. Acciarri, Mario A. Acero, G. Adamov, D. Adams, M. Adinolfi, Z. Ahmad, J. Ahmed, T. Alion, S. Alonso Monsalve, C. Alt, J. Anderson, C. Andreopoulos, M. P. Andrews, F. Andrianala, S. Andringa, A. Ankowski, J. Anthony, M. Antonova, S. Antusch, A. Aranda Fernandez, A. Ariga, L. O. Arnold, M. A. Arroyave, J. Asaadi , et al. (941 additional authors not shown)

Abstract: The preponderance of matter over antimatter in the early universe, the dynamics of the supernovae that produced the heavy elements necessary for life, and whether protons eventually decay -- these mysteries at the forefront of particle physics and astrophysics are key to understanding the early evolution of our universe, its current state, and its eventual fate. The Deep Underground Neutrino Exper… ▽ More The preponderance of matter over antimatter in the early universe, the dynamics of the supernovae that produced the heavy elements necessary for life, and whether protons eventually decay -- these mysteries at the forefront of particle physics and astrophysics are key to understanding the early evolution of our universe, its current state, and its eventual fate. The Deep Underground Neutrino Experiment (DUNE) is an international world-class experiment dedicated to addressing these questions as it searches for leptonic charge-parity symmetry violation, stands ready to capture supernova neutrino bursts, and seeks to observe nucleon decay as a signature of a grand unified theory underlying the standard model. The DUNE far detector technical design report (TDR) describes the DUNE physics program and the technical designs of the single- and dual-phase DUNE liquid argon TPC far detector modules. This TDR is intended to justify the technical choices for the far detector that flow down from the high-level physics goals through requirements at all levels of the Project. Volume I contains an executive summary that introduces the DUNE science program, the far detector and the strategy for its modular designs, and the organization and management of the Project. The remainder of Volume I provides more detail on the science program that drives the choice of detector technologies and on the technologies themselves. It also introduces the designs for the DUNE near detector and the DUNE computing model, for which DUNE is planning design reports. Volume II of this TDR describes DUNE's physics program in detail. Volume III describes the technical coordination required for the far detector design, construction, installation, and integration, and its organizational structure. Volume IV describes the single-phase far detector technology. A planned Volume V will describe the dual-phase technology. △ Less

Submitted 8 September, 2020; v1 submitted 7 February, 2020; originally announced February 2020.

Comments: Minor corrections made for JINST submission; 244 pages, 114 figures

Report number: FERMILAB-PUB-20-024-ND

The DUNE Far Detector Interim Design Report, Volume 3: Dual-Phase Module

Authors: DUNE Collaboration, B. Abi, R. Acciarri, M. A. Acero, M. Adamowski, C. Adams, D. Adams, P. Adamson, M. Adinolfi, Z. Ahmad, C. H. Albright, L. Aliaga Soplin, T. Alion, S. Alonso Monsalve, M. Alrashed, C. Alt, J. Anderson, K. Anderson, C. Andreopoulos, M. P. Andrews, R. A. Andrews, A. Ankowski, J. Anthony, M. Antonello, M. Antonova , et al. (1076 additional authors not shown)

Abstract: The DUNE IDR describes the proposed physics program and technical designs of the DUNE far detector modules in preparation for the full TDR to be published in 2019. It is intended as an intermediate milestone on the path to a full TDR, justifying the technical choices that flow down from the high-level physics goals through requirements at all levels of the Project. These design choices will enable… ▽ More The DUNE IDR describes the proposed physics program and technical designs of the DUNE far detector modules in preparation for the full TDR to be published in 2019. It is intended as an intermediate milestone on the path to a full TDR, justifying the technical choices that flow down from the high-level physics goals through requirements at all levels of the Project. These design choices will enable the DUNE experiment to make the ground-breaking discoveries that will help to answer fundamental physics questions. Volume 3 describes the dual-phase module's subsystems, the technical coordination required for its design, construction, installation, and integration, and its organizational structure. △ Less

Submitted 26 July, 2018; originally announced July 2018.

Comments: 280 pages, 109 figures. arXiv admin note: text overlap with arXiv:1807.10327

Report number: Fermilab-Design-2018-04

The DUNE Far Detector Interim Design Report Volume 1: Physics, Technology and Strategies

Authors: DUNE Collaboration, B. Abi, R. Acciarri, M. A. Acero, M. Adamowski, C. Adams, D. Adams, P. Adamson, M. Adinolfi, Z. Ahmad, C. H. Albright, L. Aliaga Soplin, T. Alion, S. Alonso Monsalve, M. Alrashed, C. Alt, J. Anderson, K. Anderson, C. Andreopoulos, M. P. Andrews, R. A. Andrews, A. Ankowski, J. Anthony, M. Antonello, M. Antonova , et al. (1076 additional authors not shown)

Abstract: The DUNE IDR describes the proposed physics program and technical designs of the DUNE Far Detector modules in preparation for the full TDR to be published in 2019. It is intended as an intermediate milestone on the path to a full TDR, justifying the technical choices that flow down from the high-level physics goals through requirements at all levels of the Project. These design choices will enable… ▽ More The DUNE IDR describes the proposed physics program and technical designs of the DUNE Far Detector modules in preparation for the full TDR to be published in 2019. It is intended as an intermediate milestone on the path to a full TDR, justifying the technical choices that flow down from the high-level physics goals through requirements at all levels of the Project. These design choices will enable the DUNE experiment to make the ground-breaking discoveries that will help to answer fundamental physics questions. Volume 1 contains an executive summary that describes the general aims of this document. The remainder of this first volume provides a more detailed description of the DUNE physics program that drives the choice of detector technologies. It also includes concise outlines of two overarching systems that have not yet evolved to consortium structures: computing and calibration. Volumes 2 and 3 of this IDR describe, for the single-phase and dual-phase technologies, respectively, each detector module's subsystems, the technical coordination required for its design, construction, installation, and integration, and its organizational structure. △ Less

Submitted 26 July, 2018; originally announced July 2018.

Comments: 83 pages, 11 figures

Report number: Fermilab-Design-2018-02

The DUNE Far Detector Interim Design Report, Volume 2: Single-Phase Module

Authors: DUNE Collaboration, B. Abi, R. Acciarri, M. A. Acero, M. Adamowski, C. Adams, D. Adams, P. Adamson, M. Adinolfi, Z. Ahmad, C. H. Albright, L. Aliaga Soplin, T. Alion, S. Alonso Monsalve, M. Alrashed, C. Alt, J. Anderson, K. Anderson, C. Andreopoulos, M. P. Andrews, R. A. Andrews, A. Ankowski, J. Anthony, M. Antonello, M. Antonova , et al. (1076 additional authors not shown)

Abstract: The DUNE IDR describes the proposed physics program and technical designs of the DUNE far detector modules in preparation for the full TDR to be published in 2019. It is intended as an intermediate milestone on the path to a full TDR, justifying the technical choices that flow down from the high-level physics goals through requirements at all levels of the Project. These design choices will enable… ▽ More The DUNE IDR describes the proposed physics program and technical designs of the DUNE far detector modules in preparation for the full TDR to be published in 2019. It is intended as an intermediate milestone on the path to a full TDR, justifying the technical choices that flow down from the high-level physics goals through requirements at all levels of the Project. These design choices will enable the DUNE experiment to make the ground-breaking discoveries that will help to answer fundamental physics questions. Volume 2 describes the single-phase module's subsystems, the technical coordination required for its design, construction, installation, and integration, and its organizational structure. △ Less

Submitted 26 July, 2018; originally announced July 2018.

Comments: 324 pages, 130 figures. arXiv admin note: text overlap with arXiv:1807.10340

Report number: Fermilab-Design-2018-03

Earth System Modeling 2.0: A Blueprint for Models That Learn From Observations and Targeted High-Resolution Simulations

Authors: Tapio Schneider, Shiwei Lan, Andrew Stuart, João Teixeira

Abstract: Climate projections continue to be marred by large uncertainties, which originate in processes that need to be parameterized, such as clouds, convection, and ecosystems. But rapid progress is now within reach. New computational tools and methods from data assimilation and machine learning make it possible to integrate global observations and local high-resolution simulations in an Earth system mod… ▽ More Climate projections continue to be marred by large uncertainties, which originate in processes that need to be parameterized, such as clouds, convection, and ecosystems. But rapid progress is now within reach. New computational tools and methods from data assimilation and machine learning make it possible to integrate global observations and local high-resolution simulations in an Earth system model (ESM) that systematically learns from both. Here we propose a blueprint for such an ESM. We outline how parameterization schemes can learn from global observations and targeted high-resolution simulations, for example, of clouds and convection, through matching low-order statistics between ESMs, observations, and high-resolution simulations. We illustrate learning algorithms for ESMs with a simple dynamical system that shares characteristics of the climate system; and we discuss the opportunities the proposed framework presents and the challenges that remain to realize it. △ Less

Submitted 27 November, 2017; v1 submitted 31 August, 2017; originally announced September 2017.

Comments: 32 pages, 3 figures

Journal ref: Geophysical Research Letters 2017

The competition between surface adsorption and folding of fibril-forming polypeptides

Authors: Ran Ni, J. Mieke Kleijn, Sanne Abeln, Martien A. Cohen Stuart, Peter G. Bolhuis

Abstract: Self-assembly of polypeptides into fibrillar structures can be initiated by planar surfaces that interact favorably with certain residues. Using a coarse grained model, we systematically studied the folding and adsorption behavior of a $β$-roll forming polypeptide. We find that there are two different folding pathways depending on the temperature: (i) at low temperature, the polypeptide folds in s… ▽ More Self-assembly of polypeptides into fibrillar structures can be initiated by planar surfaces that interact favorably with certain residues. Using a coarse grained model, we systematically studied the folding and adsorption behavior of a $β$-roll forming polypeptide. We find that there are two different folding pathways depending on the temperature: (i) at low temperature, the polypeptide folds in solution into a $β$-roll before adsorbing onto the attractive surface, (ii) at higher temperature, the polypeptide first adsorbs in a disordered state, and folds while on the surface. The folding temperature increases with increasing attraction, as the folded $β$-roll is stabilized by the surface. Surprisingly, further increasing the attraction lowers the folding temperature again, as strong attraction also stabilizes the adsorbed disordered state, which competes with folding of the polypeptide. Our results suggest that to enhance the folding, one should use a weakly attractive surface. They also explain the recent experimental observation of the non-monotonic effect of charge on the fibril formation on an oppositely charged surface [C. Charbonneau, et al., ACS Nano, 8, 2328 (2014)]. △ Less

Submitted 6 February, 2015; originally announced February 2015.

Comments: Accepted in Phys. Rev. E

Journal ref: Phys. Rev. E 91, 022711 (2015)

Interplay between folding and assembly of fibril-forming polypeptides

Authors: Ran Ni, Sanne Abeln, Marieke Schor, Martien A. Cohen Stuart, Peter G. Bolhuis

Abstract: Polypeptides can self-assemble into hierarchically organized fibrils consisting of a stack of individually folded polypeptides driven together by hydrophobic interaction. Using a coarse grained model, we systematically studied this self-assembly as a function of temperature and hydrophobicity of the residues on the outside of the building block. We find the self-assembly can occur via two differen… ▽ More Polypeptides can self-assemble into hierarchically organized fibrils consisting of a stack of individually folded polypeptides driven together by hydrophobic interaction. Using a coarse grained model, we systematically studied this self-assembly as a function of temperature and hydrophobicity of the residues on the outside of the building block. We find the self-assembly can occur via two different pathways - a random aggregation-folding route, and a templated-folding process - thus indicating a strong coupling between folding and assembly. The simulation results can explain experimental evidence that assembly through stacking of folded building blocks is rarely observed, at the experimental concentrations. The model thus provides a generic picture of hierarchical fibril formation. △ Less

Submitted 11 July, 2013; originally announced July 2013.

Comments: Accepted in Physical Review Letters

Journal ref: Phys. Rev. Lett. 111, 058101 (2013)

Pushing the glass transition towards random close packing using self-propelled hard spheres

Authors: Ran Ni, Martien A. Cohen Stuart, Marjolein Dijkstra

Abstract: Although the concept of random close packing with an almost universal packing fraction of ~ 0.64 for hard spheres was introduced more than half a century ago, there are still ongoing debates. The main difficulty in searching the densest packing is that states with packing fractions beyond the glass transition at ~ 0.58 are inherently non-equilibrium systems, where the dynamics slows down with a st… ▽ More Although the concept of random close packing with an almost universal packing fraction of ~ 0.64 for hard spheres was introduced more than half a century ago, there are still ongoing debates. The main difficulty in searching the densest packing is that states with packing fractions beyond the glass transition at ~ 0.58 are inherently non-equilibrium systems, where the dynamics slows down with a structural relaxation time diverging with density; hence, the random close packing is inaccessible. Here we perform simulations of self-propelled hard spheres, and we find that with increasing activity the relaxation dynamics can be sped up by orders of magnitude. The glass transition shifts to higher packing fractions upon increasing the activity, allowing the study of sphere packings with fluid-like dynamics at packing fractions close to random close packing. Our study opens new possibilities of investigating dense packings and the glass transition in systems of hard particles. △ Less

Submitted 25 October, 2013; v1 submitted 15 June, 2013; originally announced June 2013.

Journal ref: Nature Communications, 4, 2704 (2013)