Showing 1–38 of 38 results for author: Zhu, A

Unveiling neuronal microstructure in the human brain in vivo with time-dependent radial diffusivity in MRI

Authors: Ante Zhu, Jerome J. Maller, H. Douglas Morris, Jeffrey P. Guenette, Flavio Dell' Acqua, Chu-Yu Lee, Jeffrey McGovern, Stephan E. Maier, Raymond Y. Huang, Andrew L. Alexander, Maureen N. Hood, Desmond Teck Beng Yeo, Steven CR Williams, Carl-Fredrik Westin, Vincent B. Ho, Vincent A. Magnotta, Hua Li

Abstract: Diffusion time-dependence, defined as variations in diffusivity and/or diffusional kurtosis with diffusion time, has emerged as a valuable non-invasive imaging marker for characterizing tissue microstructural features, such as cell size, density, packing disorder, and membrane permeability. In white matter, diffusion time-dependent changes between the short diffusion time and long diffusion time i… ▽ More Diffusion time-dependence, defined as variations in diffusivity and/or diffusional kurtosis with diffusion time, has emerged as a valuable non-invasive imaging marker for characterizing tissue microstructural features, such as cell size, density, packing disorder, and membrane permeability. In white matter, diffusion time-dependent changes between the short diffusion time and long diffusion time in radial diffusivity (RD), defined as the diffusivity perpendicular to fiber tracts, were demonstrated to correlate strongly with mean axon diameter in ex vivo spinal cord tissues, and to reveal demyelination in mouse corpus callosum. Despite their potential to non-invasively unveil neuronal microstructures to improve the assessment and targeted therapy of neurological diseases, these novel image contrasts obtained at short diffusion times using oscillating gradient spin echo (OGSE) have only recently become feasible for human in vivo studies with high-performance gradient MRI systems. In this preliminary study, we characterized time-dependent RD with OGSE encoding in the human brain in vivo. The change in radial diffusivity between short diffusion time and long diffusion time (delta_RD) consistently exhibited high values in the corticospinal tract, indicating high sensitivity of delta_RD to large axon diameter in human brains. Imaging at a high OGSE frequency of 100 Hz and a moderate b-value of 800 s/mm2 produced the highest delta_RD in the corticospinal tract. This study established a baseline for future investigations of neuronal microstructural alterations in neurological disorders and diseases. △ Less

Submitted 28 July, 2026; originally announced July 2026.

Comments: 27 pages, 7 figures, 2 tables

Laser-intensity-spike-dominated hot electron generation from two-plasmon decay instability driven by moderate-bandwidth pulses

Authors: C. Yao, Z. H. Cai, X. Wang, X. C. Wang, H. R. Yin, Z. A. Zhu, C. W. Lian, Y. Ji, X. Jiang, S. M. Xu, Y. Y. Yao, L. Y. Yang, J. N. Zhang, D. Meng, T. Peng, H. Wen, C. Z. Xiao, K. Y. Meng, J. Li, R. Yan, P. Yuan, Z. Zhang, L. Hao, Q. Jia, W. Feng , et al. (12 additional authors not shown)

Abstract: Our direct-drive-relevant experiments on the low-coherence Kunwu laser facility identify two-plasmon decay (TPD) as the primary source of hot electrons, and demonstrate for the first time that broadband laser pulses enhance TPD. Using particle-in-cell simulations, we attribute this TPD enhancement and the consequent hot electron production to stochastic intensity spikes inherent in broadband laser… ▽ More Our direct-drive-relevant experiments on the low-coherence Kunwu laser facility identify two-plasmon decay (TPD) as the primary source of hot electrons, and demonstrate for the first time that broadband laser pulses enhance TPD. Using particle-in-cell simulations, we attribute this TPD enhancement and the consequent hot electron production to stochastic intensity spikes inherent in broadband laser fields, robust in both weakly- and strongly-driven regimes. These findings suggest that mitigating hot electron generation requires suppressing these intensity spikes. △ Less

Submitted 24 June, 2026; originally announced June 2026.

AI CFD Scientist: Toward Open-Ended Computational Fluid Dynamics Discovery with Physics-Aware AI Agents

Authors: Nithin Somasekharan, Rabi Pathak, Manushri Dhanakoti, Tingwen Zhang, Ling Yue, Andy Zhu, Shaowu Pan

Abstract: Recent LLM-based agents have closed substantial portions of the scientific discovery loop in software-only machine-learning research, in chemistry, and in biology. Extending the same loop to high-fidelity physical simulators is harder, because solver completion does not imply physical validity and many failure modes appear only in field-level imagery rather than in solver logs. We present AI CFD S… ▽ More Recent LLM-based agents have closed substantial portions of the scientific discovery loop in software-only machine-learning research, in chemistry, and in biology. Extending the same loop to high-fidelity physical simulators is harder, because solver completion does not imply physical validity and many failure modes appear only in field-level imagery rather than in solver logs. We present AI CFD Scientist, an open-source AI scientist for computational fluid dynamics (CFD) that, to our knowledge, is the first to span literature-grounded ideation, validated execution, vision-based physics verification, source-code modification, and figure-grounded writing within a single inspectable workflow. Three coupled pathways cover parameter sweeps within a fixed solver, case-local C++ library compilation for new physical models, and open-ended hypothesis search against a reference comparator, all running on OpenFOAM through Foam-Agent. At the center of the framework is a vision-language physics-verification gate that inspects rendered flow fields before any result is accepted, rerun, or written into a manuscript. On five tasks under a shared GPT-5.5 backbone, AI CFD Scientist autonomously discovers a Spalart-Allmaras runtime correction that reduces lower-wall Cf RMSE against DNS by 7.89% on the periodic hill at Reh=5600; under matched LLM cost, two strong general AI-scientist baselines (ARIS, DeepScientist) execute partial CFD workflows but lack the domain-specific validity gates needed to convert runs into defensible scientific claims; and a controlled planted-failure ablation shows that the vision-language gate detects 14 of 16 silent failures missed by solver-level checks. Code, prompts, and run artifacts are released at https://github.com/csml-rpi/cfd-scientist. △ Less

Submitted 12 May, 2026; v1 submitted 7 May, 2026; originally announced May 2026.

Comments: 9 main pages and rest in appendix

The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project

Authors: Qiming Sun, Matthew R Hermes, Xiaojie Wu, Huanchen Zhai, Xing Zhang, Abdelrahman M. Ahmed, Juan José Aucar, Oliver J. Backhouse, Samragni Banerjee, Peng Bao, Nikolay A. Bogdanov, Kyle Bystrom, Frédéric Chapoton, Ning-Yuan Chen, Ivan Yu. Chernyshov, Helen S. Clifford, Sander Cohen-Janes, Zhi-Hao Cui, Yann D. Damour, Nike Dattani, Linus Bjarne Dittmer, Sebastian Ehlert, Janus Juul Eriksen, Francesco A. Evangelista, Simon A. Ewing , et al. (78 additional authors not shown)

Abstract: Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum chemical method development. This article reviews the major advances since the previous overview in 2020, covering new modules and methodology, infrastructure changes, and performance benchmarks. Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum chemical method development. This article reviews the major advances since the previous overview in 2020, covering new modules and methodology, infrastructure changes, and performance benchmarks. △ Less

Submitted 7 April, 2026; v1 submitted 14 March, 2026; originally announced March 2026.

High-flux cold lithium-6 and rubidium-87 atoms from compact two-dimensional magneto-optical traps

Authors: Yun-Xuan Lu, An-Wei Zhu, Christine E. Frank, Xin-Yi Huang, Xin-Yu Luo

Abstract: We report a compact setup with in-series two-dimensional magneto-optical traps (2D MOTs) that provides high-flux cold lithium and rubidium atoms. Thanks to the efficient short-distance Zeeman slowing, the maximum 3D MOT loading rate of lithium atoms reaches a record value of $6.6\times 10^{9}$ atoms/s at a moderate lithium-oven temperature of 372 degrees Celsius, which is 44 times higher than that… ▽ More We report a compact setup with in-series two-dimensional magneto-optical traps (2D MOTs) that provides high-flux cold lithium and rubidium atoms. Thanks to the efficient short-distance Zeeman slowing, the maximum 3D MOT loading rate of lithium atoms reaches a record value of $6.6\times 10^{9}$ atoms/s at a moderate lithium-oven temperature of 372 degrees Celsius, which is 44 times higher than that without the Zeeman slowing light. The flux of rubidium is also as high as $2.3\times10^9$ atoms/s with the rubidium oven held at room temperature. Meanwhile, the entire vacuum-chamber system, including an ultra-high-vacuum science cell, is within a small volume of $55\times65\times70~\mathrm{cm}^3$. Our work represents a substantial improvement over traditional bulky and complex dual-species cold-atom setups. It provides a good starting point for the fast production of a double-degenerate lithium-rubidium atomic mixture and large samples of ultracold lithium-rubidium ground-state molecules. △ Less

Submitted 1 January, 2026; v1 submitted 30 December, 2025; originally announced December 2025.

Comments: Added references for section 1; adjusted the linewidth of figure 8, results unchanged

Surface adsorption at the thermodynamic limit using periodic DLPNO-MP2 theory: A study of CO on MgO at dilute and dense coverages

Authors: Andrew Zhu, Poramas Komonvasee, Arman Nejad, David P. Tew

Abstract: We apply periodic domain-based local pair natural orbital second-order Møller--Plesset perturbation theory (DLPNO-MP2) to probe the adsorption energy of CO on MgO(001), the consensus toy model system for surface adsorption. A number of robust correlated wavefunction methods now achieve excellent agreement with experiment for the adsorption of a single CO molecule onto the MgO surface. However, stu… ▽ More We apply periodic domain-based local pair natural orbital second-order Møller--Plesset perturbation theory (DLPNO-MP2) to probe the adsorption energy of CO on MgO(001), the consensus toy model system for surface adsorption. A number of robust correlated wavefunction methods now achieve excellent agreement with experiment for the adsorption of a single CO molecule onto the MgO surface. However, studies probing denser coverage ratios are scarce because of the increased computational expense and the larger configuration space to optimize. We leverage the computational efficiency of periodic DLPNO-MP2 to perform simulations beyond a single unit cell. By using large supercells, we highlight the importance of accurately representing the thermodynamic limit of the surface, and demonstrate in turn that different coverage ratios can be consistently probed. In the dilute regime, we show that adsorption energies obtained from periodic DLPNO-MP2 agree with existing benchmarks. We then obtain adsorption energies at increasing densities approaching full monolayer coverage. Our results show a reduction in binding strength at full coverage, agreeing with experimental observations, which is explained by the increasing lateral repulsions between the COs. This study demonstrates the efficacy of periodic DLPNO-MP2 for probing increasingly sophisticated adsorption systems at the thermodynamic limit. △ Less

Submitted 29 December, 2025; originally announced December 2025.

Comments: 11 pages, 5 figures

Human brain high-resolution diffusion MRI with optimized slice-by-slice B0 field shimming in head-only high-performance gradient MRI systems

Authors: Patricia Lan, Sherry S. Huang, Chitresh Bhushan, Xinzeng Wang, Seung-Kyun Lee, Raymond Y. Huang, Jerome J. Maller, Jennifer A. McNab, Ante Zhu

Abstract: The purpose of this study is to propose a brain tissue-selective, optimized slice-by-slice B0 field shimming for high-resolution brain diffusion MRI. We incorporated actual gradient fields of X, Y, and Z gradient coils in the calculation of the shimming coefficients in dynamic slice-by-slice B0 field shimming to minimize B0 field inhomogeneity (i.e., Delta B0) in deep-learning segmented brain tiss… ▽ More The purpose of this study is to propose a brain tissue-selective, optimized slice-by-slice B0 field shimming for high-resolution brain diffusion MRI. We incorporated actual gradient fields of X, Y, and Z gradient coils in the calculation of the shimming coefficients in dynamic slice-by-slice B0 field shimming to minimize B0 field inhomogeneity (i.e., Delta B0) in deep-learning segmented brain tissues. Diffusion MRI with oscillating gradient spin echo (OGSE) at 55 Hz and pulsed gradient spin echo (PGSE) (approximated at 0 Hz) were obtained in phantoms and healthy volunteers using a head-only high-performance gradient 3T MRI system. In each diffusion MRI acquisition, standard static volumetric shimming and the proposed shimming method were applied separately, and mean/axial/radial diffusivities (MD/AD/RD) and fractional anisotropy (FA) were estimated. In phantom, the root-mean-square of Delta B0 in areas with high gradient nonlinearity was reduced by 7 Hz when incorporating actual gradient field in dynamic shimming. Compared to static shimming, dynamic shimming reduced root-mean-square of voxel displacement of each slice by a maximum of 5-10 voxels in single-shot EPI acquisition at 1-2 mm in-plane resolution in phantom, and a maximum of 3 voxels in human brains. Improved accuracy of MD/AD/RD/FA in the superior region of the brain, brainstem, and cerebellum were observed by applying dynamic shimming and/or two-shot EPI acquisition. MD(55 Hz)-MD(0 Hz) showed higher values in T2 FSE hypo-intensity region by applying dynamic shimming. We concluded that diffusion MRI with brain tissue-selective, dynamic slice-by-slice B0 effectively improves the accuracy of diffusivity characterization in high-resolution images. △ Less

Submitted 3 October, 2025; originally announced October 2025.

Disentangling the Effects of Simultaneous Environmental Variables on Perovskite Synthesis and Device Performance via Interpretable Machine Learning

Authors: Tianran Liu, Nicky Evans, Kangyu Ji, Ronaldo Lee, Aaron Zhu, Vinn Nguyen, James Serdy, Elizabeth Wall, Yongli Lu, Florian A. Formica, Moungi G. Bawendi, Quinn C. Burlingame, Yueh-Lin Loo, Vladimir Bulovic, Tonio Buonassisi

Abstract: Despite the rapid rise in perovskite solar cell efficiency, poor reproducibility remains a major barrier to commercialization. Film crystallization and device performance are highly sensitive to environmental factors during fabrication, yet their complex interactions are not well understood. In this work, we present a systematic framework to investigate the influence of both individual and coupled… ▽ More Despite the rapid rise in perovskite solar cell efficiency, poor reproducibility remains a major barrier to commercialization. Film crystallization and device performance are highly sensitive to environmental factors during fabrication, yet their complex interactions are not well understood. In this work, we present a systematic framework to investigate the influence of both individual and coupled environmental variables on device efficiency and crystallization kinetics. We developed an integrated fabrication platform with precise, independent control over ambient solvent partial pressure, absolute humidity, and temperature during spin-coating and thermal-annealing processes, respectively. Using the platform, we implemented a closed-loop Bayesian optimization framework to efficiently explore the multi-dimensional processing space. We mapped the impact of these environmental variables on device performance and identified coupled effects among them. In-situ grazing-incidence wide-angle X-ray scattering measurements further validated these findings by revealing a nonlinear interaction between absolute humidity and solvent partial pressure during spin-coating, which affects crystallization dynamics. To isolate and quantify these interactions, we developed an interpretable machine learning approach that combines knowledge distillation with Shapley interaction analysis. The model revealed the contribution of each interaction varies across different processing conditions. Our study highlights the importance of integrated ambient sensing and control to achieve repeatable perovskite solar cells, and demonstrates the utility of combining active learning with interpretable machine learning to navigate complex, high-dimensional processing landscapes. △ Less

Submitted 27 August, 2025; originally announced September 2025.

DLPNO-MP2 for Periodic Systems using Megacell Embedding

Authors: Andrew Zhu, Arman Nejad, Poramas Komonvasee, Kesha Sorathia, David P. Tew

Abstract: We present a domain-based local pair natural orbital Møller--Plesset second order perturbation theory (DLPNO-MP2) for periodic systems, working within an LCAO formalism within the Tubromole program package. This approach, Megacell-DLPNO-MP2, embeds a supercell correlation treatment within a megacell and does not involve periodic image summation for the Coulomb integrals. Working in a basis of well… ▽ More We present a domain-based local pair natural orbital Møller--Plesset second order perturbation theory (DLPNO-MP2) for periodic systems, working within an LCAO formalism within the Tubromole program package. This approach, Megacell-DLPNO-MP2, embeds a supercell correlation treatment within a megacell and does not involve periodic image summation for the Coulomb integrals. Working in a basis of well-localised Wannier functions, periodicity is instead imposed through rigorous translational symmetry of Hamiltonian integrals and wavefunction parameters. The accuracy of the method is validated through comparison with a complementary periodic DLPNO-MP2 method that employs Born--von K{á}rm{á}n boundary conditions, described in paper I of this series. The PNO approximations are shown to be equivalent in the two approaches and entirely consistent with molecular DLPNO-MP2 calculations. The Megacell-DLPNO-MP2 method displays sub-linear scaling with respect to supercell size at the asymptotic limit and example calculations are presented with up to 15000 basis functions in the correlation treatment. △ Less

Submitted 13 July, 2025; originally announced July 2025.

DLPNO-MP2 with Periodic Boundary Conditions

Authors: Arman Nejad, Andrew Zhu, Kesha Sorathia, David P. Tew

Abstract: We present domain-based local pair natural orbital Møller--Plesset second order perturbation theory (DLPNO-MP2) with Born--von K{á}rm{á}n boundary (BvK) conditions. The approach is based on well-localised Wannier functions in a LCAO formalism and extends the molecular DLPNO-MP2 implementation Tubromole program package to periodic systems. The PNOs are formed through a PAO-OSV-PNO cascade, using Bv… ▽ More We present domain-based local pair natural orbital Møller--Plesset second order perturbation theory (DLPNO-MP2) with Born--von K{á}rm{á}n boundary (BvK) conditions. The approach is based on well-localised Wannier functions in a LCAO formalism and extends the molecular DLPNO-MP2 implementation Tubromole program package to periodic systems. The PNOs are formed through a PAO-OSV-PNO cascade, using BvK projected atomic orbitals and orbital specific virtuals as intermediaries in an analogous manner to the molecular scheme. Our chargeless and surface-dipole corrected local density fitting approach is shown to be numerically stable and to ensure convergent lattice summations over the periodic images for the two- and three-index Coulomb integrals. Through careful benchmarking, we show that the DLPNO approximations in the BvK-DLPNO-MP2 methods are entirely consistent with those of molecular DLPNO-MP2 calculations, and with an alternative periodic approach Megacell-DLPNO-MP2, reported in Paper II of this series. Smooth convergence to the canonical correlation energy with tightening PNO threshold is observed. Reference MP2 correlation energies are provided for a set of 2D and 3D periodic systems using a triple-zeta basis and supercell sizes up to 11$\times$11 and 7$\times$7$\times$7. △ Less

Submitted 13 July, 2025; originally announced July 2025.

What if each voxel were measured with a different diffusion protocol?

Authors: Santiago Coelho, Gregory Lemberskiy, Ante Zhu, Hong-Hsi Lee, Nastaren Abad, Thomas K. F. Foo, Els Fieremans, Dmitry S. Novikov

Abstract: Expansion of diffusion MRI (dMRI) both into the realm of strong gradients, and into accessible imaging with portable low-field devices, brings about the challenge of gradient nonlinearities. Spatial variations of the diffusion gradients make diffusion weightings and directions non-uniform across the field of view, and deform perfect shells in the q-space designed for isotropic directional coverage… ▽ More Expansion of diffusion MRI (dMRI) both into the realm of strong gradients, and into accessible imaging with portable low-field devices, brings about the challenge of gradient nonlinearities. Spatial variations of the diffusion gradients make diffusion weightings and directions non-uniform across the field of view, and deform perfect shells in the q-space designed for isotropic directional coverage. Such imperfections hinder parameter estimation: Anisotropic shells hamper the deconvolution of fiber orientation distribution function (fODF), while brute-force retraining of a nonlinear regressor for each unique set of directions and diffusion weightings is computationally inefficient. Here we propose a protocol-independent parameter estimation (PIPE) method that enables fast parameter estimation for the most general case where the scan in each voxel is acquired with a different protocol in q-space. PIPE applies for any spherical convolution-based dMRI model, irrespective of its complexity, which makes it suitable both for white and gray matter in the brain or spinal cord, and for other tissues where fiber bundles have the same properties within a voxel (fiber response), but are distributed with an arbitrary fODF. Applied to in vivo human MRI with linear tensor encoding on a high-performance system, PIPE maps fiber response and fODF parameters for the whole brain in the presence of significant gradient nonlinearities in under 3 minutes. PIPE enables fast parameter estimation in the presence of arbitrary gradient nonlinearities, eliminating the need to arrange dMRI in shells or to retrain the estimator for different protocols in each voxel. PIPE applies for any model based on a convolution of a voxel-wise fiber response and fODF, and data from varying b-values, diffusion/echo times, and other scan parameters. △ Less

Submitted 10 October, 2025; v1 submitted 27 June, 2025; originally announced June 2025.

Single-mode InAs/GaAs quantum-dot DFB laser with oxidized aperture confined surface grating

Authors: Zhengqing Ding, Anyao Zhu, Chaoyuan Yang, Kun Zhan, Yingxin Chen, Ying Yu, Siyuan Yu

Abstract: InAs/GaAs quantum dot (QD) distributed feedback (DFB) lasers are promising candidates for next-generation photonic integrated circuits. We present a design that incorporates an oxidized aperture confined surface grating (OASG) structure, which reduces non-radiative recombination losses and surface optical losses sustained in device fabricated by conventionally fabrication methods including etching… ▽ More InAs/GaAs quantum dot (QD) distributed feedback (DFB) lasers are promising candidates for next-generation photonic integrated circuits. We present a design that incorporates an oxidized aperture confined surface grating (OASG) structure, which reduces non-radiative recombination losses and surface optical losses sustained in device fabricated by conventionally fabrication methods including etching and regrowth. The OASG-DFB laser eliminates the need for ridge waveguide etching and avoids instability in sidewall grating coupling. Experimental results show stable single-mode operation, a maximum output power of 15.1 mW, a side-mode suppression ratio (SMSR) of 44 dB, and a narrow linewidth of 1.79 MHz. This approach simplifies fabrication, reduces costs, and enhances the scalability of GaAs-based QD DFB lasers for applications in optical communication and photonic integration. △ Less

Submitted 23 April, 2025; originally announced April 2025.

Purity benchmarking study of error coherence in a single Xmon qubit

Authors: Auda Zhu, Jérémy H. Béjanin, Xicheng Xu, Matteo Mariantoni

Abstract: In this study, we employ purity benchmarking (PB) to explore the dynamics of gate noise in a superconducting qubit system. Over 1110 hours of observations on an Xmon qubit, we simultaneously measure the coherence noise budget across two different operational frequencies. We find that incoherent errors, which predominate in overall error rates, exhibit minimal frequency dependence, suggesting they… ▽ More In this study, we employ purity benchmarking (PB) to explore the dynamics of gate noise in a superconducting qubit system. Over 1110 hours of observations on an Xmon qubit, we simultaneously measure the coherence noise budget across two different operational frequencies. We find that incoherent errors, which predominate in overall error rates, exhibit minimal frequency dependence, suggesting they are primarily due to wide-band, diffusive incoherent error sources. In contrast, coherent errors, although less prevalent, show significant sensitivity to operational frequency variations and telegraphic noise. We speculate that this sensitivity is due to interactions with a single strongly coupled environmental defect -- modeled as a two-level system -- which influences qubit control parameters and causes coherent calibration errors. Our results also demonstrate that PB offers improved sensitivity, capturing additional dynamics that conventional relaxation time measurements cannot detect, thus presenting a more comprehensive method for capturing dynamic interactions within quantum systems. The intricate nature of these coherence dynamics underscores the need for further research. △ Less

Submitted 10 July, 2024; originally announced July 2024.

Journal ref: APL Quantum 1, 046119 (2024)

Study of the decay and production properties of $D_{s1}(2536)$ and $D_{s2}^*(2573)$

Authors: M. Ablikim, M. N. Achasov, P. Adlarson, O. Afedulidis, X. C. Ai, R. Aliberti, A. Amoroso, Q. An, Y. Bai, O. Bakina, I. Balossino, Y. Ban, H. -R. Bao, V. Batozskaya, K. Begzsuren, N. Berger, M. Berlowski, M. Bertani, D. Bettoni, F. Bianchi, E. Bianco, A. Bortone, I. Boyko, R. A. Briere, A. Brueggemann , et al. (645 additional authors not shown)

Abstract: The $e^+e^-\rightarrow D_s^+D_{s1}(2536)^-$ and $e^+e^-\rightarrow D_s^+D^*_{s2}(2573)^-$ processes are studied using data samples collected with the BESIII detector at center-of-mass energies from 4.530 to 4.946~GeV. The absolute branching fractions of $D_{s1}(2536)^- \rightarrow \bar{D}^{*0}K^-$ and $D_{s2}^*(2573)^- \rightarrow \bar{D}^0K^-$ are measured for the first time to be… ▽ More The $e^+e^-\rightarrow D_s^+D_{s1}(2536)^-$ and $e^+e^-\rightarrow D_s^+D^*_{s2}(2573)^-$ processes are studied using data samples collected with the BESIII detector at center-of-mass energies from 4.530 to 4.946~GeV. The absolute branching fractions of $D_{s1}(2536)^- \rightarrow \bar{D}^{*0}K^-$ and $D_{s2}^*(2573)^- \rightarrow \bar{D}^0K^-$ are measured for the first time to be $(35.9\pm 4.8\pm 3.5)\%$ and $(37.4\pm 3.1\pm 4.6)\%$, respectively. The measurements are in tension with predictions based on the assumption that the $D_{s1}(2536)$ and $D_{s2}^*(2573)$ are dominated by a bare $c\bar{s}$ component. The $e^+e^-\rightarrow D_s^+D_{s1}(2536)^-$ and $e^+e^-\rightarrow D_s^+D^*_{s2}(2573)^-$ cross sections are measured, and a resonant structure at around 4.6~GeV with a width of 50~MeV is observed for the first time with a statistical significance of $15σ$ in the $e^+e^-\rightarrow D_s^+D^*_{s2}(2573)^-$ process. It could be the $Y(4626)$ found by the Belle collaboration in the $D_s^+D_{s1}(2536)^{-}$ final state, since they have similar masses and widths. There is also evidence for a structure at around 4.75~GeV in both processes. △ Less

Submitted 10 July, 2024; originally announced July 2024.

Wannier function localisation using Bloch intrinsic atomic orbitals

Authors: Andrew Zhu, David P. Tew

Abstract: We extend the Intrinsic Atomic Orbital (IAO) method for localisation of molecular orbitals to calculate well-localised generalised Wannier functions in crystals using the Pipek--Mezey locality metric. We furthermore present a one-shot diabatic Wannierisation procedure that aligns the phases of the Bloch functions, providing immediate Wannier localisation, which serves as an excellent initial guess… ▽ More We extend the Intrinsic Atomic Orbital (IAO) method for localisation of molecular orbitals to calculate well-localised generalised Wannier functions in crystals using the Pipek--Mezey locality metric. We furthermore present a one-shot diabatic Wannierisation procedure that aligns the phases of the Bloch functions, providing immediate Wannier localisation, which serves as an excellent initial guess for optimisation. We test our Wannier localisation implementation on a number of solid state systems, highlighting the effectiveness of the diabatic preparation, especially for localising core bands. Partial charges of Wannier functions generated using Bloch IAOs align well with chemical intuition, which we demonstrate through the example of adsorption of CO on a MgO surface. △ Less

Submitted 30 June, 2024; originally announced July 2024.

Knowledge Gaps and Research Needs for Modeling CO2 Mineralization in the Basalt-CO2-Water System: A Review of Laboratory Experiments

Authors: Peng Lu, John Apps, Guanru Zhang, Alexander Gysi Chen Zhu

Abstract: Carbon capture and storage in basalt is being actively investigated as a scalable climate change mitigation option. Accurate geochemical modeling prediction of the extent and rate of CO2 mineralization is a critical component in assessing the local and global feasibility and efficacy of this strategy. In this study, we review basalt-CO2-water interaction experimental studies conducted during the l… ▽ More Carbon capture and storage in basalt is being actively investigated as a scalable climate change mitigation option. Accurate geochemical modeling prediction of the extent and rate of CO2 mineralization is a critical component in assessing the local and global feasibility and efficacy of this strategy. In this study, we review basalt-CO2-water interaction experimental studies conducted during the last two decades to determine whether they provide useable information for geochemical modeling. Most of the cited experiments generate data on the temporal evolution of water composition, and a few provide identification of secondary precipitates and their compositions, offering empirical and semi-quantitative information about the reactivity of basalts and the likelihood of secondary carbonate mineralization at various temperatures, pHs, and pCO2 conditions. However, most experiments provide insufficient information on the properties and quantity of secondary minerals formed, prohibiting accurate mass balance calculations and hence more quantitative geochemical modeling studies. Primary Ca, Mg, and Fe-bearing minerals in basalt control the availability of major ions released into aqueous solution for carbonate precipitation, and many secondary minerals, i.e., smectites, Ca-Mg-Fe carbonates, and zeolites, provide sinks for the same major ions, some of which are difficult to quantify experimentally. Thus, we have a multi-source and multi-sink inverse mass balance problem with insufficient constraints on the bulk system in which the temporal evolution of major ions does not provide sufficient information on which mineral(s) dissolve or the sequence of dissolution and precipitation reactions. Going forward, we propose that future experimental work should focus on trace elements and multiple isotopic tracers and better characterize the solid reaction products with modern analytical instruments. △ Less

Submitted 8 May, 2024; originally announced May 2024.

DynGMA: a robust approach for learning stochastic differential equations from data

Authors: Aiqing Zhu, Qianxiao Li

Abstract: Learning unknown stochastic differential equations (SDEs) from observed data is a significant and challenging task with applications in various fields. Current approaches often use neural networks to represent drift and diffusion functions, and construct likelihood-based loss by approximating the transition density to train these networks. However, these methods often rely on one-step stochastic n… ▽ More Learning unknown stochastic differential equations (SDEs) from observed data is a significant and challenging task with applications in various fields. Current approaches often use neural networks to represent drift and diffusion functions, and construct likelihood-based loss by approximating the transition density to train these networks. However, these methods often rely on one-step stochastic numerical schemes, necessitating data with sufficiently high time resolution. In this paper, we introduce novel approximations to the transition density of the parameterized SDE: a Gaussian density approximation inspired by the random perturbation theory of dynamical systems, and its extension, the dynamical Gaussian mixture approximation (DynGMA). Benefiting from the robust density approximation, our method exhibits superior accuracy compared to baseline methods in learning the fully unknown drift and diffusion functions and computing the invariant distribution from trajectory data. And it is capable of handling trajectory data with low time resolution and variable, even uncontrollable, time step sizes, such as data generated from Gillespie's stochastic simulations. We then conduct several experiments across various scenarios to verify the advantages and robustness of the proposed method. △ Less

Submitted 19 June, 2024; v1 submitted 22 February, 2024; originally announced February 2024.

Implementing a new fully stepwise decomposition-based sampling technique for the hybrid water level forecasting model in real-world application

Authors: Ziqian Zhang, Nana Bao, Xingting Yan, Aokai Zhu, Chenyang Li, Mingyu Liu

Abstract: Various time variant non-stationary signals need to be pre-processed properly in hydrological time series forecasting in real world, for example, predictions of water level. Decomposition method is a good candidate and widely used in such a pre-processing problem. However, decomposition methods with an inappropriate sampling technique may introduce future data which is not available in practical a… ▽ More Various time variant non-stationary signals need to be pre-processed properly in hydrological time series forecasting in real world, for example, predictions of water level. Decomposition method is a good candidate and widely used in such a pre-processing problem. However, decomposition methods with an inappropriate sampling technique may introduce future data which is not available in practical applications, and result in incorrect decomposition-based forecasting models. In this work, a novel Fully Stepwise Decomposition-Based (FSDB) sampling technique is well designed for the decomposition-based forecasting model, strictly avoiding introducing future information. This sampling technique with decomposition methods, such as Variational Mode Decomposition (VMD) and Singular spectrum analysis (SSA), is applied to predict water level time series in three different stations of Guoyang and Chaohu basins in China. Results of VMD-based hybrid model using FSDB sampling technique show that Nash-Sutcliffe Efficiency (NSE) coefficient is increased by 6.4%, 28.8% and 7.0% in three stations respectively, compared with those obtained from the currently most advanced sampling technique. In the meantime, for series of SSA-based experiments, NSE is increased by 3.2%, 3.1% and 1.1% respectively. We conclude that the newly developed FSDB sampling technique can be used to enhance the performance of decomposition-based hybrid model in water level time series forecasting in real world. △ Less

Submitted 19 September, 2023; originally announced September 2023.

Diffusion MRI with free gradient waveforms on a high-performance gradient system: Probing restriction and exchange in the human brain

Authors: Arthur Chakwizira, Ante Zhu, Thomas Foo, Carl-Fredrik Westin, Filip Szczepankiewicz, Markus Nilsson

Abstract: The dependence of the diffusion MRI signal on the diffusion time carries signatures of restricted diffusion and exchange. Here we seek to highlight these signatures in the human brain by performing experiments using free gradient waveforms that are selectively sensitive to the two effects. We examine six healthy volunteers using both strong and ultra-strong gradients (80, 200 and 300 mT/m). In an… ▽ More The dependence of the diffusion MRI signal on the diffusion time carries signatures of restricted diffusion and exchange. Here we seek to highlight these signatures in the human brain by performing experiments using free gradient waveforms that are selectively sensitive to the two effects. We examine six healthy volunteers using both strong and ultra-strong gradients (80, 200 and 300 mT/m). In an experiment featuring a large set of gradient waveforms with different sensitivities to restricted diffusion and exchange (150 samples), our results reveal unique time-dependence signatures in grey and white matter, where the former is characterised by both restricted diffusion and exchange and the latter predominantly exhibits restricted diffusion. Furthermore, we show that gradient waveforms with independently varying sensitivities to restricted diffusion and exchange can be used to map exchange in the human brain. We consistently find that exchange in grey matter is at least twice as fast as in white matter, across all subjects and all gradient strengths. The shortest exchange times observed in this study were in the cerebellar cortex (115 ms). We also assess the feasibility of future clinical applications of the method used in this work, where we find that the grey-white matter exchange contrast obtained with a 25-minute 300 mT/m protocol is preserved by a 4-minute 300 mT/m and a 10-minute 80 mT/m protocol. Our work underlines the utility of free waveforms for detecting time-dependence signatures due to restricted diffusion and exchange in vivo, which may potentially serve as a tool for studying diseased tissue. △ Less

Submitted 5 April, 2023; originally announced April 2023.

STCF Conceptual Design Report: Volume 1 -- Physics & Detector

Authors: M. Achasov, X. C. Ai, R. Aliberti, L. P. An, Q. An, X. Z. Bai, Y. Bai, O. Bakina, A. Barnyakov, V. Blinov, V. Bobrovnikov, D. Bodrov, A. Bogomyagkov, A. Bondar, I. Boyko, Z. H. Bu, F. M. Cai, H. Cai, J. J. Cao, Q. H. Cao, Z. Cao, Q. Chang, K. T. Chao, D. Y. Chen, H. Chen , et al. (413 additional authors not shown)

Abstract: The Super $τ$-Charm facility (STCF) is an electron-positron collider proposed by the Chinese particle physics community. It is designed to operate in a center-of-mass energy range from 2 to 7 GeV with a peak luminosity of $0.5\times 10^{35}{\rm cm}^{-2}{\rm s}^{-1}$ or higher. The STCF will produce a data sample about a factor of 100 larger than that by the present $τ$-Charm factory -- the BEPCII,… ▽ More The Super $τ$-Charm facility (STCF) is an electron-positron collider proposed by the Chinese particle physics community. It is designed to operate in a center-of-mass energy range from 2 to 7 GeV with a peak luminosity of $0.5\times 10^{35}{\rm cm}^{-2}{\rm s}^{-1}$ or higher. The STCF will produce a data sample about a factor of 100 larger than that by the present $τ$-Charm factory -- the BEPCII, providing a unique platform for exploring the asymmetry of matter-antimatter (charge-parity violation), in-depth studies of the internal structure of hadrons and the nature of non-perturbative strong interactions, as well as searching for exotic hadrons and physics beyond the Standard Model. The STCF project in China is under development with an extensive R\&D program. This document presents the physics opportunities at the STCF, describes conceptual designs of the STCF detector system, and discusses future plans for detector R\&D and physics case studies. △ Less

Submitted 5 October, 2023; v1 submitted 28 March, 2023; originally announced March 2023.

Journal ref: Front. Phys. 19(1), 14701 (2024)

Fast Uncertainty Estimates in Deep Learning Interatomic Potentials

Authors: Albert Zhu, Simon Batzner, Albert Musaelian, Boris Kozinsky

Abstract: Deep learning has emerged as a promising paradigm to give access to highly accurate predictions of molecular and materials properties. A common short-coming shared by current approaches, however, is that neural networks only give point estimates of their predictions and do not come with predictive uncertainties associated with these estimates. Existing uncertainty quantification efforts have prima… ▽ More Deep learning has emerged as a promising paradigm to give access to highly accurate predictions of molecular and materials properties. A common short-coming shared by current approaches, however, is that neural networks only give point estimates of their predictions and do not come with predictive uncertainties associated with these estimates. Existing uncertainty quantification efforts have primarily leveraged the standard deviation of predictions across an ensemble of independently trained neural networks. This incurs a large computational overhead in both training and prediction that often results in order-of-magnitude more expensive predictions. Here, we propose a method to estimate the predictive uncertainty based on a single neural network without the need for an ensemble. This allows us to obtain uncertainty estimates with virtually no additional computational overhead over standard training and inference. We demonstrate that the quality of the uncertainty estimates matches those obtained from deep ensembles. We further examine the uncertainty estimates of our methods and deep ensembles across the configuration space of our test system and compare the uncertainties to the potential energy surface. Finally, we study the efficacy of the method in an active learning setting and find the results to match an ensemble-based strategy at order-of-magnitude reduced computational cost. △ Less

Submitted 17 November, 2022; originally announced November 2022.

Fast quasi-centroid molecular dynamics

Authors: Theo Fletcher, Andrew Zhu, Joseph E. Lawrence, David E. Manolopoulos

Abstract: We describe a fast implementation of the quasi-centroid molecular dynamics (QCMD) method in which the quasi-centroid potential of mean force is approximated as a separable correction to the classical interaction potential. This correction is obtained by first calculating quasi-centroid radial and angular distribution functions in a short path integral molecular dynamics simulation, and then using… ▽ More We describe a fast implementation of the quasi-centroid molecular dynamics (QCMD) method in which the quasi-centroid potential of mean force is approximated as a separable correction to the classical interaction potential. This correction is obtained by first calculating quasi-centroid radial and angular distribution functions in a short path integral molecular dynamics simulation, and then using iterative Boltzmann inversion to obtain an effective classical potential that reproduces these distribution functions in a classical NVT simulation. We illustrate this approach with example applications to the vibrational spectra of gas phase molecules, obtaining excellent agreement with QCMD reference calculations for water and ammonia and good agreement with the quantum mechanical vibrational spectrum of methane. △ Less

Submitted 22 November, 2021; originally announced November 2021.

Comments: 7 pages, 3 figures, and supplementary material

Nonreciprocal Transmission and Entanglement in a cavity-magnomechanical system

Authors: Zhi-Bo Yang, Jin-Song Liu, Ai-Dong Zhu, Hong-Yu Liu, Rong-Can Yang

Abstract: Quantum entanglement, a key element for quantum information is generated with a cavity-magnomechanical system. It comprises of two microwave cavities, a magnon mode and a vibrational mode, and the last two elements come from a YIG sphere trapped in the second cavity. The two microwave cavities are connected by a superconducting transmission line, resulting in a linear coupling between them. The ma… ▽ More Quantum entanglement, a key element for quantum information is generated with a cavity-magnomechanical system. It comprises of two microwave cavities, a magnon mode and a vibrational mode, and the last two elements come from a YIG sphere trapped in the second cavity. The two microwave cavities are connected by a superconducting transmission line, resulting in a linear coupling between them. The magnon mode is driven by a strong microwave field and coupled to cavity photons via magnetic dipole interaction, and at the same time interacts with phonons via magnetostrictive interaction. By breaking symmetry of the configuration, we realize nonreciprocal photon transmission and one-way bipartite quantum entanglement. By using current experimental parameters for numerical simulation, it is hoped that our results may reveal a new strategy to built quantum resources for the realization of noise-tolerant quantum processors, chiral networks, and so on. △ Less

Submitted 25 January, 2021; originally announced January 2021.

Comments: 8 pages, 5 figures

Modeling Spontaneous Exit Choices in Intercity Expressway Traffic with Quantum Walk

Authors: Zhaoyuan Yu, Xinxin Zhou, Xu Hu, Wen Luo, Linwang Yuan, A-Xing Zhu

Abstract: In intercity expressway traffic, a driver frequently makes decisions to adjust driving behavior according to time, location and traffic conditions, which further affects when and where the driver will leave away from the expressway traffic. Spontaneous exit choices by drivers are hard to observe and thus it is a challenge to model intercity expressway traffic sufficiently. In this paper, we develo… ▽ More In intercity expressway traffic, a driver frequently makes decisions to adjust driving behavior according to time, location and traffic conditions, which further affects when and where the driver will leave away from the expressway traffic. Spontaneous exit choices by drivers are hard to observe and thus it is a challenge to model intercity expressway traffic sufficiently. In this paper, we developed a Spontaneous Quantum Traffic Model (SQTM), which models the stochastic traffic fluctuation caused by spontaneous exit choices and the residual regularity fluctuation with Quantum Walk and Autoregressive Moving Average model (ARMA), respectively. SQTM considers the spontaneous exit choice of a driver as a quantum stochastic process with a dynamical probability function varies according to time, location and traffic conditions. A quantum walk is applied to update the probability function, which simulates when and where a driver will leave the traffic affected by spontaneous exit choices. We validate our model with hourly traffic data from 7 exits from the Nanjing-Changzhou expressway in Eastern China. For the 7 exits, the coefficients of determination of SQTM ranged from 0.5 to 0.85. Compared with classical random walk and ARMA model, the coefficients of determination were increased by 21.28% to 104.98%, and relative mean square error decreased by 11.61% to 32.92%. We conclude that SQTM provides new potential for modeling traffic dynamics with consideration of unobservable spontaneous driver's decision-making. △ Less

Submitted 6 March, 2020; originally announced March 2020.

SympNets: Intrinsic structure-preserving symplectic networks for identifying Hamiltonian systems

Authors: Pengzhan Jin, Zhen Zhang, Aiqing Zhu, Yifa Tang, George Em Karniadakis

Abstract: We propose new symplectic networks (SympNets) for identifying Hamiltonian systems from data based on a composition of linear, activation and gradient modules. In particular, we define two classes of SympNets: the LA-SympNets composed of linear and activation modules, and the G-SympNets composed of gradient modules. Correspondingly, we prove two new universal approximation theorems that demonstrate… ▽ More We propose new symplectic networks (SympNets) for identifying Hamiltonian systems from data based on a composition of linear, activation and gradient modules. In particular, we define two classes of SympNets: the LA-SympNets composed of linear and activation modules, and the G-SympNets composed of gradient modules. Correspondingly, we prove two new universal approximation theorems that demonstrate that SympNets can approximate arbitrary symplectic maps based on appropriate activation functions. We then perform several experiments including the pendulum, double pendulum and three-body problems to investigate the expressivity and the generalization ability of SympNets. The simulation results show that even very small size SympNets can generalize well, and are able to handle both separable and non-separable Hamiltonian systems with data points resulting from short or long time steps. In all the test cases, SympNets outperform the baseline models, and are much faster in training and prediction. We also develop an extended version of SympNets to learn the dynamics from irregularly sampled data. This extended version of SympNets can be thought of as a universal model representing the solution to an arbitrary Hamiltonian system. △ Less

Submitted 19 August, 2020; v1 submitted 11 January, 2020; originally announced January 2020.

Semiconductor ring laser frequency combs induced by phase turbulence

Authors: Marco Piccardo, Benedikt Schwarz, Dmitry Kazakov, Maximilian Beiser, Nikola Opacak, Yongrui Wang, Shantanu Jha, Michele Tamagnone, Wei Ting Chen, Alexander Y. Zhu, Lorenzo L. Columbo, Alexey Belyanin, Federico Capasso

Abstract: Semiconductor ring lasers are miniaturized devices that operate on clockwise and counterclockwise modes. These modes are not coupled in the absence of intracavity reflectors, which prevents the formation of a standing wave in the cavity and, consequently, of a population inversion grating. This should inhibit the onset of multimode emission driven by spatial hole burning. Here we show that, despit… ▽ More Semiconductor ring lasers are miniaturized devices that operate on clockwise and counterclockwise modes. These modes are not coupled in the absence of intracavity reflectors, which prevents the formation of a standing wave in the cavity and, consequently, of a population inversion grating. This should inhibit the onset of multimode emission driven by spatial hole burning. Here we show that, despite this notion, ring quantum cascade lasers inherently operate in phase-locked multimode states, that switch on and off as the pumping level is progressively increased. By rewriting the master equation of lasers with fast gain media in the form of the complex Ginzburg-Landau equation, we show that ring frequency combs stem from a phase instability---a phenomenon also known in superconductors and Bose-Einstein condensates. The instability is due to coupling of the amplitude and phase modulation of the optical field in a semiconductor laser, which plays the role of a Kerr nonlinearity, highlighting a connection between laser and microresonator frequency combs. △ Less

Submitted 17 September, 2019; v1 submitted 12 June, 2019; originally announced June 2019.

Journal ref: Nature volume 582, 360-364 (2020)

High quality factor polariton resonators using van der Waals materials

Authors: Michele Tamagnone, Kundan Chaudhary, Christina M. Spaegele, Alex Zhu, Maryna Meretska, Jiahan Li, James H. Edgar, Antonio Ambrosio, Federico Capasso

Abstract: We present high quality factor optical nanoresonators operating in the mid-IR to far-IR based on phonon polaritons in van der Waals materials. The nanoresonators are disks patterned from isotopically pure hexagonal boron nitride (isotopes 10B and 11B) and α-molybdenum trioxide. We experimentally achieved quality factors of nearly 400, the highest ever observed in nano-resonators at these wavelengt… ▽ More We present high quality factor optical nanoresonators operating in the mid-IR to far-IR based on phonon polaritons in van der Waals materials. The nanoresonators are disks patterned from isotopically pure hexagonal boron nitride (isotopes 10B and 11B) and α-molybdenum trioxide. We experimentally achieved quality factors of nearly 400, the highest ever observed in nano-resonators at these wavelengths. The excited modes are deeply subwavelength, and the resonators are 10 to 30 times smaller than the exciting wavelength. These results are very promising for the realization of nano-photonics devices such as optical bio-sensors and miniature optical components such as polarizers and filters. △ Less

Submitted 1 October, 2020; v1 submitted 6 May, 2019; originally announced May 2019.

Comments: 8 pages, 3 figures 3 tables

A broadband achromatic polarization-insensitive metalens consisting of anisotropic nanostructures

Authors: Wei Ting Chen, Alexander Y. Zhu, Jared Sisler, Zameer Bharwani, Federico Capasso

Abstract: Metasurfaces have attracted widespread attention due to an increasing demand of compact and wearable optical devices. For many applications, polarization-insensitive metasurfaces are highly desirable and appear to limit the choice of their constituent elements to isotropic nanostructures. This greatly restricts the degrees of geometric parameters available in designing each nanostructure. Here, we… ▽ More Metasurfaces have attracted widespread attention due to an increasing demand of compact and wearable optical devices. For many applications, polarization-insensitive metasurfaces are highly desirable and appear to limit the choice of their constituent elements to isotropic nanostructures. This greatly restricts the degrees of geometric parameters available in designing each nanostructure. Here, we demonstrate a polarization-insensitive metalens using otherwise anisotropic nanofins which offer additional control over the dispersion and phase of the output light. As a result, we can render a metalens achromatic and polarization-insensitive across nearly the entire visible spectrum from wavelength 460 nm to 700 nm, while maintaining diffraction-limited performance. The metalens is comprised of just a single layer of TiO2 nanofins and has a numerical aperture of 0.2 with a diameter of 26.4 um. The generality of our polarization-insensitive design allows it to be implemented in a plethora of other metasurface devices with applications ranging from imaging to virtual/augmented reality. △ Less

Submitted 11 October, 2018; originally announced October 2018.

Freestanding dielectric nanohole array metasurface for mid-infrared wavelength applications

Authors: Jun Rong Ong, Hong Son Chu, Valerian Hongjie Chen, Alexander Yutong Zhu, Patrice Genevet

Abstract: We designed and simulated freestanding dielectric optical metasurfaces based on arrays of etched nanoholes in a silicon membrane. We showed $2π$ phase control and high forward transmission at mid-infrared wavelengths by tuning the dimensions of the holes. We also identified the mechanisms responsible for high forward scattering efficiency and showed that these conditions are connected with the wel… ▽ More We designed and simulated freestanding dielectric optical metasurfaces based on arrays of etched nanoholes in a silicon membrane. We showed $2π$ phase control and high forward transmission at mid-infrared wavelengths by tuning the dimensions of the holes. We also identified the mechanisms responsible for high forward scattering efficiency and showed that these conditions are connected with the well-known Kerker conditions already proposed for isolated scatterers. A beam deflector was designed and optimized through sequential particle swarm and gradient descent optimization to maximize transmission efficiency and reduce unwanted grating orders. Such freestanding silicon nanohole array metasurfaces are promising for the realization of silicon based mid-infrared optical elements. △ Less

Submitted 23 May, 2018; originally announced May 2018.

Journal ref: Optics Letters Vol. 42, Issue 13, pp. 2639-2642 (2017)

Anisotropic Surface Plasmon Polariton Generation Using Bimodal V-Antenna Based Metastructures

Authors: Daniel Wintz, Antonio Ambrosio, Alexander Y. Zhu, Patrice Genevet, Federico Capasso

Abstract: V-shaped nanoantennas are among the popular choices for the unit element of a metasurface, a nanostructured surface used for its ability to mold and control the wavefront of light. In general, the motivation for choosing the V-antenna as the unit element comes from its bimodal nature, where the introduction of the second mode offers extra control over the scattered wavefronts. Here, through near-f… ▽ More V-shaped nanoantennas are among the popular choices for the unit element of a metasurface, a nanostructured surface used for its ability to mold and control the wavefront of light. In general, the motivation for choosing the V-antenna as the unit element comes from its bimodal nature, where the introduction of the second mode offers extra control over the scattered wavefronts. Here, through near-field scanning optical microscopy, we study a 1D metastructure comprised of V-antennas in the context of generating asymmetric surface plasmon polariton (SPP) wavefronts. The key point is that the use of the V-antenna allows for the creation of a two-dimensional phase gradient with a single line of antennas, where the extra phase dimension offers additional control and allows for asymmetric features. Two different asymmetries are created: (1) SPP wavefronts that have different propagation directions on either side of the metastructure, and (2) SPP wavefront asymmetry through focusing: one side of the metastructure focuses SPP wavefronts, while the other side has diverging SPP wavefronts. △ Less

Submitted 3 May, 2018; originally announced May 2018.

Journal ref: ACS Photonics, 4, 22 (2017)

Computation of Exact g-Factor Maps in 3D GRAPPA Reconstructions

Authors: Iñaki Rabanillo, Ante Zhu, Santiago Aja-Fernández, Carlos Alberola-López, Diego Hernando

Abstract: Purpose: To characterize the noise distributions in 3D-MRI accelerated acquisitions reconstructed with GRAPPA using an exact noise propagation analysis that operates directly in k--space. Theory and Methods: We exploit the extensive symmetries and separability in the reconstruction steps to account for the correlation between all the acquired k-space samples. Monte Carlo simulations and multi-re… ▽ More Purpose: To characterize the noise distributions in 3D-MRI accelerated acquisitions reconstructed with GRAPPA using an exact noise propagation analysis that operates directly in k--space. Theory and Methods: We exploit the extensive symmetries and separability in the reconstruction steps to account for the correlation between all the acquired k-space samples. Monte Carlo simulations and multi-repetition phantom experiments were conducted to test both the accuracy and feasibility of the proposed method; an in-vivo experiment was performed to assess the applicability of our method to clinical scenarios. Results: Our theoretical derivation shows that the direct k-space analysis renders an exact noise characterization under the assumptions of stationarity and uncorrelation in the original k-space. Simulations and phantom experiments provide empirical support to the theoretical proof. Finally, the in-vivo experiment demonstrates the ability of the proposed method to assess the impact of the sub-sampling pattern on the overall noise behavior. Conclusions: By operating directly in the k-space, the proposed method is able to provide an exact characterization of noise for any Cartesian pattern sub-sampled along the two phase-encoding directions. Exploitation of the symmetries and separability into independent blocks through the image reconstruction procedure allows us to overcome the computational challenges related to the very large size of the covariance matrices involved. △ Less

Submitted 8 March, 2018; originally announced March 2018.

Comments: 33 pages, 6 figures, 1 table, submitted to Magnetic Resonance in Medicine

Phase and dispersion engineering of metalenses: broadband achromatic focusing and imaging in the visible

Authors: Wei Ting Chen, Alexander Y. Zhu, Vyshakh Sanjeev, Mohammadreza Khorasaninejad, Zhujun Shi, Eric Lee, Federico Capasso

Abstract: Metasurfaces have the potential to miniaturize and improve the performance of any optical element, with applications spanning telecommunications, computing and wearable optics. However, the ability to retain functionality over a continuous, broad range of wavelengths is essential for their widespread adoption. So far, efforts to achieve this have been limited to either a reflection configuration o… ▽ More Metasurfaces have the potential to miniaturize and improve the performance of any optical element, with applications spanning telecommunications, computing and wearable optics. However, the ability to retain functionality over a continuous, broad range of wavelengths is essential for their widespread adoption. So far, efforts to achieve this have been limited to either a reflection configuration or operation at wavelengths other than the visible. Here, we show that by judicious choice of nanostructures, one can independently control both the phase and group delay, leading to broadband transmissive achromatic metalenses and metalenses with tunable dispersion across the visible spectrum. We demonstrate diffraction-limited broadband focusing and achromatic imaging using metalenses across wavelengths from 470 nm to 670 nm, with focal length change of a few percent across this 200 nm bandwidth. This approach requires only a single layer metasurface whose thickness is on the wavelength scale, and does not involve spatial multiplexing or cascading. △ Less

Submitted 26 November, 2017; originally announced November 2017.

Guided Modes of Anisotropic van der Waals Materials Investigated by Near-Field Scanning Optical Microscopy

Authors: Daniel Wintz, Kundan Chaudhary, Ke Wang, Luis A. Jauregui, Antonio Ambrosio, Michele Tamagnone, Alexander Y. Zhu, Robert C. Devlin, Jesse D. Crossno, Kateryna Pistunova, Kenji Watanabe, Takashi Taniguchi, Philip Kim, Federico Capasso

Abstract: Guided modes in anisotropic two-dimensional van der Waals materials are experimentally investigated and their refractive indices in visible wavelengths are extracted. Our method involves near-field scanning optical microscopy of waveguide (transverse electric) and surface plasmon polariton (transverse magnetic) modes in h-BN/SiO2/Si and Ag/h-BN stacks, respectively. We determine the dispersion of… ▽ More Guided modes in anisotropic two-dimensional van der Waals materials are experimentally investigated and their refractive indices in visible wavelengths are extracted. Our method involves near-field scanning optical microscopy of waveguide (transverse electric) and surface plasmon polariton (transverse magnetic) modes in h-BN/SiO2/Si and Ag/h-BN stacks, respectively. We determine the dispersion of these modes and use this relationship to extract anisotropic refractive indices of h-BN flakes. In the wavelength interval 550-700 nm, the in-plane and out-of-plane refractive indices are in the range 1.98-2.12 and 1.45-2.12, respectively. Our approach of using near-field scanning optical microscopy allows for direct study of interaction between light and two-dimensional van der Waals materials and heterostructures. △ Less

Submitted 2 June, 2017; originally announced June 2017.

Luminosity measurements for the R scan experiment at BESIII

Authors: M. Ablikim, M. N. Achasov, S. Ahmed, X. C. Ai, O. Albayrak, M. Albrecht, D. J. Ambrose, A. Amoroso, F. F. An, Q. An, J. Z. Bai, O. Bakina, R. Baldini Ferroli, Y. Ban, D. W. Bennett, J. V. Bennett, N. Berger, M. Bertani, D. Bettoni, J. M. Bian, F. Bianchi, E. Boger, I. Boyko, R. A. Briere, H. Cai , et al. (405 additional authors not shown)

Abstract: By analyzing the large-angle Bhabha scattering events $e^{+}e^{-}$ $\to$ ($γ$)$e^{+}e^{-}$ and diphoton events $e^{+}e^{-}$ $\to$ $γγ$ for the data sets collected at center-of-mass (c.m.) energies between 2.2324 and 4.5900 GeV (131 energy points in total) with the upgraded Beijing Spectrometer (BESIII) at the Beijing Electron-Positron Collider (BEPCII), the integrated luminosities have been measur… ▽ More By analyzing the large-angle Bhabha scattering events $e^{+}e^{-}$ $\to$ ($γ$)$e^{+}e^{-}$ and diphoton events $e^{+}e^{-}$ $\to$ $γγ$ for the data sets collected at center-of-mass (c.m.) energies between 2.2324 and 4.5900 GeV (131 energy points in total) with the upgraded Beijing Spectrometer (BESIII) at the Beijing Electron-Positron Collider (BEPCII), the integrated luminosities have been measured at the different c.m. energies, individually. The results are the important inputs for R value and $J/ψ$ resonance parameter measurements. △ Less

Submitted 11 February, 2017; originally announced February 2017.

Achromatic Metalens in the Visible and Metalens with Reverse Chromatic Dispersion

Authors: M. Khorasaninejad, Z. Shi, A. Y. Zhu, W. T. Chen, V. Sanjeev, A. Zaidi, F. Capasso

Abstract: In this letter, we experimentally report an achromatic metalens (AML) operating over a continuous bandwidth in the visible. This is accomplished via dispersion engineering of dielectric phase shifters: titanium dioxide nanopillars tiled on a dielectric spacer layer above a metallic mirror. The AML works in reflection mode with a focal length independent of wavelength from wavelength of 490 nm to 5… ▽ More In this letter, we experimentally report an achromatic metalens (AML) operating over a continuous bandwidth in the visible. This is accomplished via dispersion engineering of dielectric phase shifters: titanium dioxide nanopillars tiled on a dielectric spacer layer above a metallic mirror. The AML works in reflection mode with a focal length independent of wavelength from wavelength of 490 nm to 550 nm. We also design a metalens with reverse chromatic dispersion, where the focal length increases as the wavelength increases, contrary to conventional diffractive lenses. The ability to engineer the chromatic dispersion of metalenses at will enables a wide variety of applications that were not previously possible. In particular, for the AML design, we envision applications such as imaging under LED illumination, fluorescence, and photoluminescence spectroscopy. △ Less

Submitted 23 January, 2017; originally announced January 2017.

Spin-to-orbital angular momentum conversion in dielectric metasurfaces

Authors: Robert Charles Devlin, Antonio Ambrosio, Daniel Wintz, Stefano Luigi Oscurato, Alexander Yutong Zhu, Mohammadreza Khorasaninejad, Jaewon Oh, Pasqualino Maddalena, Federico Capasso

Abstract: Spin-to-orbital-angular-momentum conversion has attracted considerable interest as a tool to create exotic light beams, leading to the emergence of novel devices that implement this function. These converters exploit the geometrical phase to create helical beams of handedness determined by the chirality of the incident light. This property is finding important applications in quantum optics thanks… ▽ More Spin-to-orbital-angular-momentum conversion has attracted considerable interest as a tool to create exotic light beams, leading to the emergence of novel devices that implement this function. These converters exploit the geometrical phase to create helical beams of handedness determined by the chirality of the incident light. This property is finding important applications in quantum optics thanks to the demonstration of liquid crystal spin-to-orbital angular momentum converters (SOC) known as q-plates. Here we demonstrate high-efficiency SOCs in the visible based on dielectric metasurfaces that generate vortex beams with high and even fractional topological charge and show for the first time the simultaneous generation of collinear helical beams with different and arbitrary orbital angular momentum. We foresee that this versatile method of creating vortex beams, which circumvents the limitations of q-plates, will significant impact microscopy and vector beam shaping. △ Less

Submitted 12 May, 2016; originally announced May 2016.

Planar Lenses at Visible Wavelengths

Authors: Mohammadreza Khorasaninejad, Wei Ting Chen, Robert C. Devlin, Jaewon Oh, Alexander Y. Zhu, Federico Capasso

Abstract: Sub-wavelength resolution imaging requires high numerical aperture (NA) lenses, which are bulky and expensive. Metasurfaces allow the miniaturization of conventional refractive optics into planar structures. We show that high-aspect-ratio titanium dioxide metasurfaces can be fabricated and designed as meta-lenses with NA = 0.8. Diffraction-limited focusing is demonstrated at wavelengths of 405 nm,… ▽ More Sub-wavelength resolution imaging requires high numerical aperture (NA) lenses, which are bulky and expensive. Metasurfaces allow the miniaturization of conventional refractive optics into planar structures. We show that high-aspect-ratio titanium dioxide metasurfaces can be fabricated and designed as meta-lenses with NA = 0.8. Diffraction-limited focusing is demonstrated at wavelengths of 405 nm, 532 nm, and 660 nm with corresponding efficiencies of 86%, 73%, and 66%. The meta-lenses can resolve nanoscale features separated by sub-wavelength distances and provide magnification as high as 170x with image qualities comparable to a state-of-the-art commercial objective. Our results firmly establish that meta-lenses can have widespread applications in laser-based microscopy, imaging, and spectroscopy. △ Less

Submitted 7 May, 2016; originally announced May 2016.

Measurements of Baryon Pair Decays of $χ_{cJ}$ Mesons

Authors: M. Ablikim, M. N. Achasov, O. Albayrak, D. J. Ambrose, F. F. An, Q. An, J. Z. Bai, Y. Ban, J. Becker, J. V. Bennett, M. Bertani, J. M. Bian, E. Boger, O. Bondarenko, I. Boyko, R. A. Briere, V. Bytev, X. Cai, O. Cakir, A. Calcaterra, G. F. Cao, S. A. Cetin, J. F. Chang, G. Chelkov, G. Chen , et al. (326 additional authors not shown)

Abstract: Using 106 $\times 10^{6}$ $ψ^{\prime}$ decays collected with the BESIII detector at the BEPCII, three decays of $χ_{cJ}$ ($J=0,1,2$) with baryon pairs ($\llb$, $\ssb$, $\SSB$) in the final state have been studied. The branching fractions are measured to be $\cal{B}$$(χ_{c0,1,2}\rightarrowΛ\barΛ) =(33.3 \pm 2.0 \pm 2.6)\times 10^{-5}$, $(12.2 \pm 1.1 \pm 1.1)\times 10^{-5}$,… ▽ More Using 106 $\times 10^{6}$ $ψ^{\prime}$ decays collected with the BESIII detector at the BEPCII, three decays of $χ_{cJ}$ ($J=0,1,2$) with baryon pairs ($\llb$, $\ssb$, $\SSB$) in the final state have been studied. The branching fractions are measured to be $\cal{B}$$(χ_{c0,1,2}\rightarrowΛ\barΛ) =(33.3 \pm 2.0 \pm 2.6)\times 10^{-5}$, $(12.2 \pm 1.1 \pm 1.1)\times 10^{-5}$, $(20.8 \pm 1.6 \pm 2.3)\times 10^{-5}$; $\cal{B}$$(χ_{c0,1,2}\rightarrowΣ^{0}\barΣ^{0})$ = $(47.8 \pm 3.4 \pm 3.9)\times 10^{-5}$, $(3.8 \pm 1.0 \pm 0.5)\times 10^{-5}$, $(4.0 \pm 1.1 \pm 0.5) \times 10^{-5}$; and $\cal{B}$$(χ_{c0,1,2}\rightarrowΣ^{+}\barΣ^{-})$ = $(45.4 \pm 4.2 \pm 3.0)\times 10^{-5}$, $(5.4 \pm 1.5 \pm 0.5)\times 10^{-5}$, $(4.9 \pm 1.9 \pm 0.7)\times 10^{-5}$, where the first error is statistical and the second is systematic. Upper limits on the branching fractions for the decays of $χ_{c1,2}\rightarrowΣ^{0}\barΣ^{0}$, $Σ^{+}\barΣ^{-}$, are estimated to be $\cal{B}$$(χ_{c1}\rightarrowΣ^{0}\barΣ^{0}) < 6.2\times 10^{-5}$, $\cal{B}$$(χ_{c2}\rightarrowΣ^{0}\barΣ^{0}) < 6.5\times 10^{-5}$, $\cal{B}$$(χ_{c1}\rightarrowΣ^{+}\barΣ^{-}) < 8.7\times 10^{-5}$ and $\cal{B}$$(χ_{c2}\rightarrowΣ^{+}\barΣ^{-}) < 8.8\times 10^{-5}$ at the 90% confidence level. △ Less

Submitted 4 March, 2013; v1 submitted 9 November, 2012; originally announced November 2012.

Comments: 13 pages, 7 figures, 3 tables

Journal ref: Phys. Rev. D 87, 032007 (2013)