Showing 1–50 of 58 results for author: Liang, T

Impact of Residual Angular Chirp in a Petawatt-class Laser System on Laser-driven Proton Acceleration

Authors: Qingfan Wu, Minjian Wu, Jiarui Zhao, Ying Gao, Haoran Chen, Tan Song, Zhongshuai Zhang, Zhangyi Wu, Tianhao Liang, Shirui Xu, Ziyang Peng, Hui Zhang, Tianqi Xu, Qihang Han, Chenghao Hua, Ke Chen, Pengcheng Fan, Yuntian Xie, Xianduo Li, Peiqiang Liu, Xiangyu Nong, Shengxuan Xu, Liyong Ma, Yixing Geng, Chen Lin , et al. (3 additional authors not shown)

Abstract: Laser-driven proton acceleration has attracted considerable interest owing to its appealing potential in versatile applications including cancer therapy. Proton energies depend critically on the on-target intensities, yet the detrimental impact of focal spot degradation induced by spatiotemporal couplings on the acceleration remains insufficiently elucidated. In this study, we demonstrate that res… ▽ More Laser-driven proton acceleration has attracted considerable interest owing to its appealing potential in versatile applications including cancer therapy. Proton energies depend critically on the on-target intensities, yet the detrimental impact of focal spot degradation induced by spatiotemporal couplings on the acceleration remains insufficiently elucidated. In this study, we demonstrate that residual angular chirp (AC), stemming from minor misalignments of the grating compressor in a Petawatt-class laser system, acts as a critical bottleneck for proton acceleration. Experimental results reveal that even around 100 microradians of grating misalignment induces substantial focal-spot elongation and a pronounced reduction in peak intensity. By implementing an in situ spectral-blocking diagnostic, we effectively eliminated the residual AC and restored a near-diffraction-limited focus. This optimization led to a significant recovery of the on-target intensity, resulting in a twofold increase in the proton cutoff energy. Our work presents a successful demonstration of diagnosing and eliminating residual AC. This provides a practical reference for generating high-energy proton beams and supporting their diverse applications in a PW-class laser. △ Less

Submitted 14 July, 2026; originally announced July 2026.

Comments: Accepted by Matter and Radiation at Extremes (MRE)

Electron-beam Writing of Spectrally Uniform Green Single-photon Emitters in Hexagonal Boron Nitride

Authors: Qingsong Tao, Fuyi Zhou, Zhijie Li, Yihao Yan, Shuangyue Li, Yuelan Gao, Zijing Wu, Yizhou Liu, Tao Liang, Shuai Yuan, Dakun Wu, Hongzhi Zhou, Qi Zhang, Zhenyi Ni, Chunlei Yu, Pan Wang, Fei Yu, Lili Hu, Ning Zhou

Abstract: Scalable quantum photonic technologies require single-photon emitters whose positions and emission energies can be engineered simultaneously. Hexagonal boron nitride (hBN) is an attractive room-temperature host, but deterministic creation of spectrally reproducible emitters remains challenging. Here, we use a standard scanning electron microscope as a direct-writing tool to activate bright green s… ▽ More Scalable quantum photonic technologies require single-photon emitters whose positions and emission energies can be engineered simultaneously. Hexagonal boron nitride (hBN) is an attractive room-temperature host, but deterministic creation of spectrally reproducible emitters remains challenging. Here, we use a standard scanning electron microscope as a direct-writing tool to activate bright green single-photon emitters in hBN at predefined sites, without ion implantation or post-fabrication thermal annealing. The written emitters exhibit reproducible zero-phonon-line emission centered near 536 nm, room-temperature antibunching with g(2)(0) as low as 0.08, high brightness, strong linear polarization, and stable emission. Thickness-dependent activation, stacking experiments, cathodoluminescence spectroscopy, and first-principles calculations support a carbon-related defect complex as the most plausible origin of the emission. As a proof of nanophotonic compatibility, we further activate emitters in a nanoparticle-on-mirror plasmonic nanocavity and observe photoluminescence enhancement accompanied by shortened emission lifetimes. These results establish electron-beam direct writing as a practical route to site-selective, spectrally uniform green quantum emitters in hBN, offering a promising basis for integrated room-temperature quantum photonic architectures. △ Less

Submitted 2 July, 2026; originally announced July 2026.

Studies of Neutrino-Nucleus Elastic Scattering with Point-Contact Germanium Detectors at the Kuo-Sheng Reactor Neutrino Laboratory

Authors: TEXONO Collaboration, M. K. Singh, S. Karmakar, Greeshma C., H. B. Li, F. K. Lin, V. Sharma, L. Singh, H. T. Wong, L. T. Yang, M. Agartioglu, J. H. Chen, J. W. Chen, C. I. Chiang, M. Deniz, T. Guo, H. C. Hsu, W. H. Kao, S. Karadaǧ, J. B. Legras, C. H. Leung, J. Li, T. Y. Liang, S. T. Lin, S. K. Liu , et al. (14 additional authors not shown)

Abstract: The low energy and intense flux of electron anti-neutrinos from nuclear reactors provide the perfect stage to study elastic neutrino-nucleus scattering ($νA_{el}$) in the fully coherent regime. We report results from the TEXONO experiment using electro-cooled $p$-type point-contact Germanium detectors with masses of 523~g and 1434~g at the Kuo-Sheng Reactor Neutrino Laboratory. We report improved… ▽ More The low energy and intense flux of electron anti-neutrinos from nuclear reactors provide the perfect stage to study elastic neutrino-nucleus scattering ($νA_{el}$) in the fully coherent regime. We report results from the TEXONO experiment using electro-cooled $p$-type point-contact Germanium detectors with masses of 523~g and 1434~g at the Kuo-Sheng Reactor Neutrino Laboratory. We report improved constraints on the $νA_{el}$ cross section with a combined exposure of 404(813.7)~kg-days of Reactor ON(OFF) data at an electron-equivalent threshold of 200~eV$_{ee}$. The Lindhard model, in which the quenching factor is parameterized by a single parameter k, is adopted to describe the suppression of ionization yield. At the benchmark value of k=0.162, a limit of $ρ<$2.0 at 90\% confidence level (CL) is derived, where $ρ$ represents the ratio of the observed to the predicted Standard Model cross section. Moreover the region k$>$0.205 is excluded at 90\% CL using the SM-predicted $νA_{el}$ rate. A bound on the neutrino magnetic moment from $νA_{el}$ at $μ_ν {<} 5.9 \times 10^{-10}~μ_B$ at 90\% CL is also derived. △ Less

Submitted 15 June, 2026; originally announced June 2026.

Comments: 21 pages, 19 figures

Topological Surface Charge Detection via Terahertz Time-domain Spectroscopy

Authors: Tong Shen, Yiyang Xie, Yucheng Dai, Yifan Zhang, Yuanze Li, Xufeng Kou, Tian Liang

Abstract: The topological magnetoelectric effect (TME) in three-dimensional topological insulators manifests as a quantized surface charge accumulation proportional to an applied magnetic field. Here we demonstrate an optical method using terahertz time-domain spectroscopy (THz-TDS) to detect surface charge accumulation in a chromium-doped (Bi,Sb)$_2$Te$_3$ thin film under oblique incidence, achieving sub-m… ▽ More The topological magnetoelectric effect (TME) in three-dimensional topological insulators manifests as a quantized surface charge accumulation proportional to an applied magnetic field. Here we demonstrate an optical method using terahertz time-domain spectroscopy (THz-TDS) to detect surface charge accumulation in a chromium-doped (Bi,Sb)$_2$Te$_3$ thin film under oblique incidence, achieving sub-milliradian Faraday rotation precision. Unlike transport probes that require ultralow longitudinal conductivity, this optical technique is robust against finite $σ_L$, degrading by less than $0.3\%$ even when $σ_L \sim σ_T$. We extract the charge accumulation $η/B_z$ from the measured Faraday rotation and show results at $45^\circ$ and $60^\circ$ coincide within experimental uncertainty. Extending this to axion insulators, we predict that the TME produces an imaginary Faraday rotation linear in frequency, whose slope directly reflects the single-surface charge density. With improved sample thickness and precision, this optical scheme provides a viable pathway toward direct verification of the TME and four-dimensional quantum Hall effect. △ Less

Submitted 13 June, 2026; originally announced June 2026.

Comments: Tong Shen, Yiyang Xie, and Yucheng Dai contributed equally to this work

Hydrodynamically engineered Indigenous arrows skip on water for waterfowl hunting

Authors: Junrong Zhang, Farrukh Kamoliddinov, Thomas Yang, Jeff Tang, Tino Liang, Ethan Tam, Edam Jin, Tadd Truscott, Zhao Pan

Abstract: Across the Northern Hemisphere, Indigenous hunters developed arrows capable of skipping across the water surface to strike waterfowl. Archaeological and ethnographic records reveal remarkably similar projectile designs spanning millennia and geographically distant cultures, suggesting a convergent technological solution. Despite extensive study of water-entry dynamics, the physical principles unde… ▽ More Across the Northern Hemisphere, Indigenous hunters developed arrows capable of skipping across the water surface to strike waterfowl. Archaeological and ethnographic records reveal remarkably similar projectile designs spanning millennia and geographically distant cultures, suggesting a convergent technological solution. Despite extensive study of water-entry dynamics, the physical principles underlying this behaviour remain poorly understood. Here we show that successful water-skipping arises from a small set of coupled geometric and dynamical parameters that define a bounded operational regime separating rebound, plunging, and overshoot. Using a combination of controlled experiments, hydrodynamic modeling, and historical reconstruction, we demonstrate that reconstructed arrow designs from independent cultures consistently fall within this predicted regime. These results demonstrate that Indigenous technologies were effectively tuned to satisfy the hydrodynamic constraints governing controlled skipping, providing evidence of convergent optimization in human-engineered systems. More broadly, our results suggest that material culture encodes physical knowledge that formal science is only beginning to articulate, and that the archaeological record and Indigenous culture may be an underexplored archive of empirical discovery. △ Less

Submitted 1 June, 2026; originally announced June 2026.

Zero-Poisson Ratio Elastomeric Substrates for Distortion-Free Stretchable Displays

Authors: Joseph Nguyen, Kim Tran, Tristan Tjussardi, Tiger Liang, Eric Yi, Asad Nauman, Abdoulaye Ndao

Abstract: Stretchable displays are critical for emerging wearable electronics, soft sensors, and next-generation AR/VR interfaces. Although recent advances have enabled foldable, twistable, and rollable displays, intrinsically stretchable substrates often exhibit significant lateral contraction under tensile strain due to their high Poisson ratio, leading to unintended wrapping, distortion, and shrinkage. H… ▽ More Stretchable displays are critical for emerging wearable electronics, soft sensors, and next-generation AR/VR interfaces. Although recent advances have enabled foldable, twistable, and rollable displays, intrinsically stretchable substrates often exhibit significant lateral contraction under tensile strain due to their high Poisson ratio, leading to unintended wrapping, distortion, and shrinkage. Here, we report a transparent heterogeneous-modulus elastomeric substrate designed to achieve near-zero Poisson ratio while maintaining mechanical softness and optical transparency. The substrate consists of line-patterned hard polydimethylsiloxane (PDMS) embedded within a soft PDMS matrix, producing spatially heterogeneous strain distribution during stretching. In this architecture, the soft PDMS functions as a strain-absorbing medium, while the embedded hard PDMS patterns suppress lateral deformation perpendicular to the applied strain. As a result, the structure significantly dampens transverse contraction and realizes a near-zero effective Poisson ratio. To demonstrate the utility of this platform for stretchable optoelectronics, LED arrays were integrated onto the heterogeneous substrate. The devices exhibit minimal vertical and lateral distortion during tensile deformation, enabling mechanically stable operation of stretchable light-emitting displays. This heterogeneous modulus strategy provides a simple, scalable approach to mechanically robust stretchable display platforms. △ Less

Submitted 1 June, 2026; originally announced June 2026.

HotLoop Optimization of Petawatt Laser Focal Spot via a Twin-Focus Scheme

Authors: Qingfan Wu, Ying Gao, Minjian Wu, Jiarui Zhao, Shiyou Chen, Tianhao Liang, Haoran Chen, Tan Song, Zhongshuai Zhang, Zhangyi Wu, Shirui Xu, Ziyang Peng, Tianqi Xu, Zhuo Pan, Yujia Zhang, Qihang Han, Ke Chen, Chenghao Hua, Pengcheng Fan, Yuntian Xie, Yifei Shen, Shengxuan Xu, Liyong Ma, Yixing Geng, Chen Lin , et al. (3 additional authors not shown)

Abstract: Achieving diffraction-limited focusing of high-power laser pulses to generate ultra-high intensities is crucial for developing compact laser-driven particle accelerators and exploring strong-field quantum electrodynamics. However, accurately diagnosing and optimizing the focal spots of petawatt (PW) laser pulses remains a significant challenge. In this work, we present an experimental methodology… ▽ More Achieving diffraction-limited focusing of high-power laser pulses to generate ultra-high intensities is crucial for developing compact laser-driven particle accelerators and exploring strong-field quantum electrodynamics. However, accurately diagnosing and optimizing the focal spots of petawatt (PW) laser pulses remains a significant challenge. In this work, we present an experimental methodology utilizing a twin-focus scheme to precisely characterize the intensity distribution and wavefront of focused PW femtosecond laser pulses, and employ it to elucidate their power-dependent evolution. Furthermore, we optimized the focal spots at full power via our in-situ wavefront correction method termed ``HotLoop', achieving a Strehl ratio of 0.80 for 1 PW laser pulses. Consequently, the cutoff proton energies in laser proton acceleration experiments were significantly enhanced. The success of this approach underscores the necessity of in-situ high-energy wavefront correction for ultra-high intensity laser-matter interactions. △ Less

Submitted 19 May, 2026; originally announced May 2026.

Comments: Accepted by Matter and Radiation at Extremes (MRE)

Composition design of refractory compositionally complex alloys using machine learning models

Authors: Tao Liang, Eric A. Lass, Haochen Zhu, Carla Joyce C. Nocheseda, Philip D. Rack, Stephen Puplampu, Dayakar Penumadu, Haixuan Xu

Abstract: Refractory compositionally complex alloys (RCCAs) are considered the next generation high-temperature materials. However, their high-dimensional composition spaces are too large to explore by traditional density functional theory or experimental means, making new RCCA discovery slow and cumbersome. This work has addressed these challenges with an integrated composition design framework that can ef… ▽ More Refractory compositionally complex alloys (RCCAs) are considered the next generation high-temperature materials. However, their high-dimensional composition spaces are too large to explore by traditional density functional theory or experimental means, making new RCCA discovery slow and cumbersome. This work has addressed these challenges with an integrated composition design framework that can efficiently and exhaustively explore the relationship between the compositions and two fundamental aspects: 1) the phase stability, including the target body-centered cubic (BCC) phase and its competing phases (hexagonal closed-pack (HCP) structures, Laves and B2 intermetallic phases), and 2) the mechanical properties. This framework is demonstrated with RCCAs within nine refractory metals (Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W). Theory-guided machine learning (ML) models were employed to find the composition-mechanical property relationship of RCCAs, where the established theory is used to supplement the yield strength data at ultra-high temperature, and a forward sequential feature selection (SFS) is used to determine feature selection. The resulting ML model for temperature-dependent yield strength was found to have an R_squared value of 0.98 over the entire temperature range (from 0 to 2000 K). The impact of each constituent element on the six key properties is evaluated. The addition of Nb tends to stabilize the BCC phase and the addition of Ti improves the ductility of RCCAs. Combined with all methods involved in this framework, the on-demand designer allows the alloy designers to have all properties for any RCCA compositions and narrow down the composition space by applying custom screening criteria. The output from the predictor and screener provides valuable guidance for our experimental study of RCCAs and accelerates the pace of materials discovery. △ Less

Submitted 7 April, 2026; originally announced April 2026.

Comments: 32 pages including 12 pages of SI, 6 figures in manuscript and 6 figures in SI, 50 references

Structurally Triggered Breakdown of the Phonon Gas Model in Crystalline Metal-Organic Frameworks

Authors: Penghua Ying, Ting Liang, Yun Chen, Yan Chen, Shiyun Xiong, Zheyong Fan, Jianbin Xu, Yilun Liu

Abstract: While crystalline materials with glass-like thermal conductivity are fundamentally intriguing, structurally triggering the transition from propagating to diffusive heat transport within a single framework remains a formidable challenge. Here, using extensive machine learning molecular dynamics, we demonstrate a fundamental thermal transport crossover in metal-organic frameworks. We reveal that gra… ▽ More While crystalline materials with glass-like thermal conductivity are fundamentally intriguing, structurally triggering the transition from propagating to diffusive heat transport within a single framework remains a formidable challenge. Here, using extensive machine learning molecular dynamics, we demonstrate a fundamental thermal transport crossover in metal-organic frameworks. We reveal that grafting flexible side chains onto a pristine MOF backbone acts as a structural switch, strongly reducing the thermal conductivity by $\sim$70% (from $\sim 0.7$ to $\sim 0.2\ \text{W m}^{-1}\text{K}^{-1}$ at 300 K). Crucially, the functionalized derivatives exhibit a drastic transition from a classical Peierls $\sim 1/T$ decay to an anomalous, temperature-independent glass-like plateau. Reciprocal- and real-space analyses reveal the microscopic origins: the side chains act as built-in local resonators that trap acoustic energy via strong low-frequency resonant hybridization, while simultaneously inducing extreme steric crowding. Consequently, the heat-carrying phonon modes become critically damped, with their mean free paths strictly confined to the nanometer scale and their lifetimes collapsing to the Ioffe-Regel limit. This work establishes a highly programmable molecular engineering strategy to dismantle the phonon gas model, forcing crystalline frameworks into an extreme diffusive transport regime. △ Less

Submitted 4 April, 2026; originally announced April 2026.

Comments: 7 pages, 5 figures

Radiation safety challenges in plasma accelerators

Authors: S. Bohlen, M. Kirchen, T. Liang, A. Leuschner, A. R. Maier, A. Martinez de la Ossa, E. Panofski, K. Schubert, M. Thévenet, P. A. Walker, I-L. Yeh, S. Zander

Abstract: Plasma accelerators are rapidly evolving toward user-relevant machines with increasing repetition rates, particle energies and average beam powers. Despite their compact size, the operational characteristics of plasma accelerators are comparable to those of radio-frequency linacs, involving the continuous generation and dumping of electron bunches. However, beam properties and loss patterns can di… ▽ More Plasma accelerators are rapidly evolving toward user-relevant machines with increasing repetition rates, particle energies and average beam powers. Despite their compact size, the operational characteristics of plasma accelerators are comparable to those of radio-frequency linacs, involving the continuous generation and dumping of electron bunches. However, beam properties and loss patterns can differ substantially from those of conventional accelerators, leading to radiation safety considerations dominated by high peak charges and distributed beam losses relevant for both personnel protection and machine integrity. Using established scaling laws, we show that significant dose rates already occur at electron energies of several MeV, underscoring the relevance of radiation protection even for comparatively low-energy plasma accelerators. Based on a combination of Monte Carlo and particle-in-cell simulations, supported by radiation measurements from plasma accelerator experiments at DESY, we analyze typical radiation fields with a particular focus on radiation generated close to the plasma source. These findings highlight the need for dedicated shielding and beam-dump concepts tailored to plasma accelerators, especially in view of increasing average beam powers and future application-oriented operation. △ Less

Submitted 8 May, 2026; v1 submitted 2 March, 2026; originally announced March 2026.

Comments: 16 pages, 6 figures. Submitted to the proceedings of the 7th European Advanced Accelerator Conference (EAAC 2025), Revised version after referee comments

Unveiling the amorphous ice layer during premelting using AFM integrating machine learning

Authors: Binze Tang, Chon-Hei Lo, Tiancheng Liang, Jiani Hong, Mian Qin, Yizhi Song, Duanyun Cao, Ying Jiang, Limei Xu

Abstract: Premelting plays a key role across physics, chemistry, materials and biology sciences but remains poorly understood at the atomic level due to surface characterization limitations. We report the discovery of a novel amorphous ice layer (AIL) preceding the quasi-liquid layer (QLL) during ice premelting, enabled by a machine learning framework integrating atomic force microscopy (AFM) with molecular… ▽ More Premelting plays a key role across physics, chemistry, materials and biology sciences but remains poorly understood at the atomic level due to surface characterization limitations. We report the discovery of a novel amorphous ice layer (AIL) preceding the quasi-liquid layer (QLL) during ice premelting, enabled by a machine learning framework integrating atomic force microscopy (AFM) with molecular dynamics simulations. This approach overcomes AFM's depth and signal limitations, allowing for three-dimensional surface structure reconstruction from AFM images. It further enables structural exploration of premelting interfaces across a wide temperature range that are experimentally inaccessible. We identify the AIL, present between 121-180K, displaying disordered two-dimensional hydrogen-bond network with solid-like dynamics. Our findings refine the ice premelting phase diagram and offering new insights into the surface growth dynamic, dissolution and interfacial chemical reactivity. Methodologically, this work establishes a novel framework for AFM-based 3D structural discovery, marking a significant leap in our ability to probe complex disordered interfaces with unprecedented precision and paving the way for future disciplinary research, including surface reconstruction, crystallization, ion solvation, and biomolecular recognition. △ Less

Submitted 13 December, 2025; originally announced December 2025.

Journal ref: Phys. Rev. X 15, 041048 (2025)

Development of a simulation and analysis framework for NνDEx experiment

Authors: Tianyu Liang, Hulin Wang, Dongliang Zhang, Chaosong Gao, Xiangming Sun, Feng Liu, Jun Liu, Chengui Lu, Yichen Yang, Chengxin Zhao, Hao Qiu, Kai Chen

Abstract: N$ν$DEx aims to search for the neutrinoless double beta decay in $^{82}$Se using a high pressure $^{82}$SeF$_6$ gas time projection chamber (TPC). This paper presents a simulation and analysis framework developed specifically for the N$ν$DEx experiment. Using density functional theory and two-temperature theory, the reduced mobilities of SeF$_5^-$ and SeF$_6^-$ ions in SeF$_6$ were calculated, y… ▽ More N$ν$DEx aims to search for the neutrinoless double beta decay in $^{82}$Se using a high pressure $^{82}$SeF$_6$ gas time projection chamber (TPC). This paper presents a simulation and analysis framework developed specifically for the N$ν$DEx experiment. Using density functional theory and two-temperature theory, the reduced mobilities of SeF$_5^-$ and SeF$_6^-$ ions in SeF$_6$ were calculated, yielding values of 0.444 and 0.430 $\mathrm{cm^2V^{-1}s^{-1}}$ respectively, with an estimated uncertainty within 3\%. The TPC geometry, featuring a cathode, focusing plane, and anode structure, was modeled in COMSOL to compute electric fields. Signal and background events were generated using BxDecay0 and Geant4, while Garfield++ was employed to simulate charge transport and signal induction. Three-dimensional tracks were reconstructed from drift-time differences between the two assumed ion species using a breadth-first search algorithm. To demonstrate the framework's analytical capability, topological variables were taken from reconstructed tracks and used to define selection criteria. A boosted decision tree was then implemented to benchmark the signal-background separation. This simulation framework successfully validates the complete experimental workflow, serving as a robust tool for detector design and future sensitivity studies in the N$ν$DEx experiment. △ Less

Submitted 2 March, 2026; v1 submitted 19 August, 2025; originally announced August 2025.

Journal ref: Nucl. Instrum. Methods Phys. Res. A 1087 (2026) 171439

Self-Powered Triboelectric Sensing System for Gait-Based Physiological and Psychological Assessment in Track and Field

Authors: Tiehuai Liang, Dongyuan Wei, Qi Zhang

Abstract: Wearable sensors are critical components in smart sports systems for real-time monitoring of athletic performance, physiological conditions, and psychological states. In this work, a sodium alginate/gelatin-based triboelectric nanogenerator (SG-TENG) was developed for mechanical energy harvesting and real-time sensing in track and field applications. The SA/gelatin composite film exhibits high tra… ▽ More Wearable sensors are critical components in smart sports systems for real-time monitoring of athletic performance, physiological conditions, and psychological states. In this work, a sodium alginate/gelatin-based triboelectric nanogenerator (SG-TENG) was developed for mechanical energy harvesting and real-time sensing in track and field applications. The SA/gelatin composite film exhibits high transparency, good flexibility, and uniform morphology, enabling stable triboelectric output. The SG-TENG delivers high electrical performance, including an open-circuit voltage (Voc) of 156.6 V, short-circuit current (Isc) of 46.9 uA, and transferred charge (Qsc) of 139.6 nC, with a maximum power of 13.5 mW under optimal loading. Its output characteristics are closely related to mechanical parameters such as frequency, force, displacement, and contact area. Furthermore, the device demonstrates energy storage capability by charging capacitors under various dynamic conditions. Integrated into a running shoe, the SG-TENG enables self-powered gait monitoring and can distinguish between walking, running, and jumping. It also shows potential for inferring psychological and physiological states from gait features, offering a promising solution for battery-free, multifunctional sensing in sports performance evaluation and health monitoring. △ Less

Submitted 14 July, 2025; originally announced July 2025.

Accurate Modeling of Interfacial Thermal Transport in van der Waals Heterostructures via Hybrid Machine Learning and Registry-Dependent Potentials

Authors: Wenwu Jiang, Hekai Bu, Ting Liang, Penghua Ying, Zheyong Fan, Jianbin Xu, Wengen Ouyang

Abstract: Two-dimensional transition metal dichalcogenides (TMDs) exhibit remarkable thermal anisotropy due to their strong intralayer covalent bonding and weak interlayer van der Waals (vdW) interactions. However, accurately modeling their thermal transport properties remains a significant challenge, primarily due to the computational limitations of density functional theory (DFT) and the inaccuracies of c… ▽ More Two-dimensional transition metal dichalcogenides (TMDs) exhibit remarkable thermal anisotropy due to their strong intralayer covalent bonding and weak interlayer van der Waals (vdW) interactions. However, accurately modeling their thermal transport properties remains a significant challenge, primarily due to the computational limitations of density functional theory (DFT) and the inaccuracies of classical force fields in non-equilibrium regimes. To address this, we use a recently developed hybrid computational framework that combines machine learning potential (MLP) for intralayer interactions with registry-dependent interlayer potential (ILP) for anisotropic vdW interlayer interaction, achieving near quantum mechanical accuracy. This approach demonstrates exceptional agreement with DFT calculations and experimental data for TMD systems, accurately predicting key properties such as lattice constants, bulk modulus, moiré reconstruction, phonon spectra, and thermal conductivities. The scalability of this method enables accurate simulations of TMD heterostructures with large-scale moiré superlattices, making it a transformative tool for the design of TMD-based thermal metamaterials and devices, bridging the gap between accuracy and computational efficiency. △ Less

Submitted 1 May, 2025; originally announced May 2025.

Journal ref: J. Chem. Theory Comput. 2026, 22 (9), 4699-4715

PYSED: A tool for extracting kinetic-energy-weighted phonon dispersion and lifetime from molecular dynamics simulations

Authors: Ting Liang, Wenwu Jiang, Ke Xu, Hekai Bu, Zheyong Fan, Wengen Ouyang, Jianbin Xu

Abstract: Machine learning potential-driven molecular dynamics (MD) simulations have significantly enhanced the predictive accuracy of thermal transport properties across diverse materials. However, extracting phonon-mode-resolved insights from these simulations remains a critical challenge. Here, we introduce PYSED, a Python-based package built on the spectral energy density (SED) method, designed to effic… ▽ More Machine learning potential-driven molecular dynamics (MD) simulations have significantly enhanced the predictive accuracy of thermal transport properties across diverse materials. However, extracting phonon-mode-resolved insights from these simulations remains a critical challenge. Here, we introduce PYSED, a Python-based package built on the spectral energy density (SED) method, designed to efficiently compute kinetic-energy-weighted phonon dispersion and extract phonon lifetime from large-scale MD simulation trajectories. By integrating high-accuracy machine-learned neuroevolution potential (NEP) models, we validate and showcase the effectiveness of the implemented SED method across systems of varying dimensionalities. Specifically, the NEP-driven MD-SED accurately reveals how phonon modes are affected by strain in carbon nanotubes, as well as by interlayer coupling strengths and the twist angles in two-dimensional molybdenum disulfide. For three-dimensional systems, the SED method effectively establishes the thermal transport regime diagram for metal-organic frameworks, distinguishing between particlelike and wavelike propagation regions. Moreover, using bulk silicon as an example, we show that phonon SED can efficiently capture quantum dynamics based on path-integral trajectories. The PYSED package bridges MD simulations with detailed phonon-mode insights, delivering a robust tool for investigating thermal transport properties with detailed mechanisms across various materials. △ Less

Submitted 17 September, 2025; v1 submitted 1 May, 2025; originally announced May 2025.

Comments: 16 pages in main text; 9 figures in main text, 5 figures in SI

Journal ref: J. Appl. Phys. 138, 075101 (2025)

Modular hybrid machine learning and physics-based potentials for scalable modeling of van der Waals heterostructures

Authors: Hekai Bu, Wenwu Jiang, Penghua Ying, Ting Liang, Zheyong Fan, Wengen Ouyang

Abstract: Accurately modeling the structural reconstruction and thermodynamic behavior of van der Waals (vdW) heterostructures remains a significant challenge due to the limitations of conventional force fields in capturing their complex mechanical, thermal, electronic, and tribological properties. To address these limitations, we develop a hybrid framework that combines single-layer machine-learned potenti… ▽ More Accurately modeling the structural reconstruction and thermodynamic behavior of van der Waals (vdW) heterostructures remains a significant challenge due to the limitations of conventional force fields in capturing their complex mechanical, thermal, electronic, and tribological properties. To address these limitations, we develop a hybrid framework that combines single-layer machine-learned potential ($s$MLP) with physics-based anisotropic interlayer potential (ILP), effectively decoupling intralayer and interlayer interactions. This $s$MLP+ILP approach modularizes the modeling of vdW heterostructures like assembling LEGOs, reducing the required training configurations by at least an order of magnitude compared to the pure MLP approach, while retaining predictive accuracy and computational efficiency. We validate our framework by accurately reproducing the mechanical and thermal transport properties of graphite and bulk hexagonal boron nitride ($h$-BN), and by resolving intricate Moiré patterns in graphene/$h$-BN bilayer and graphene/graphene/$h$-BN trilayer heterostructures, achieving excellent agreement with experimental observations. Leveraging the developed $s$MLP+ILP approach, we reveal the stacking order-dependent formation of Moir{é} superlattice in trilayer graphene/$h$-BN/MoS$_2$ heterostructures, demonstrating its ability to accurately model large-scale vdW systems comprising hundreds of thousands of atoms with near $ab$ $initio$ precision. These findings demonstrate that the hybrid $s$MLP+ILP framework remarkably outperforms existing pure machine-learned or empirical potentials, offering a scalable and transferable solution for accurately and extensively modeling complex vdW materials across diverse applications, including sliding ferroelectricity, thermal management, resistive switching, and superlubric nanodevices. △ Less

Submitted 25 February, 2026; v1 submitted 17 April, 2025; originally announced April 2025.

Journal ref: Journal of the Mechanics and Physics of Solids, 210, 106540 (2026)

Probing the ideal limit of interfacial thermal conductance in two-dimensional van der Waals heterostructures

Authors: Ting Liang, Ke Xu, Penghua Ying, Wenwu Jiang, Meng Han, Xin Wu, Wengen Ouyang, Yimin Yao, Xiaoliang Zeng, Zhenqiang Ye, Zheyong Fan, Jianbin Xu

Abstract: Probing the ideal limit of interfacial thermal conductance (ITC) in two-dimensional (2D) heterointerfaces is of paramount importance for assessing heat dissipation in 2D-based nanoelectronics. Using graphene/hexagonal boron nitride (Gr/$h$-BN), a structurally isomorphous heterostructure with minimal mass contrast, as a prototype, we develop an accurate yet highly efficient machine-learned potentia… ▽ More Probing the ideal limit of interfacial thermal conductance (ITC) in two-dimensional (2D) heterointerfaces is of paramount importance for assessing heat dissipation in 2D-based nanoelectronics. Using graphene/hexagonal boron nitride (Gr/$h$-BN), a structurally isomorphous heterostructure with minimal mass contrast, as a prototype, we develop an accurate yet highly efficient machine-learned potential (MLP) model, which drives nonequilibrium molecular dynamics (NEMD) simulations on a realistically large system with over 300,000 atoms, enabling us to report the ideal limit range of ITC for 2D heterostructures at room temperature. We further unveil an intriguing stacking-sequence-dependent ITC hierarchy in the Gr/$h$-BN heterostructure, which can be connected to moiré patterns and is likely universal in van der Waals layered materials. The underlying atomic-level mechanisms can be succinctly summarized as energy-favorable stacking sequences facilitating out-of-plane phonon energy transmission. This work demonstrates that MLP-driven MD simulations can serve as a new paradigm for probing and understanding thermal transport mechanisms in 2D heterostructures and other layered materials. △ Less

Submitted 19 February, 2025; originally announced February 2025.

Comments: 13 pages, 6 figures in the main text; 20 figures in the SI

Report number: 1-12

Journal ref: npj Computational Materials 2025

Structure of weakly collisional shock waves of multicomponent plasmas inside hohlraums of indirect inertial confinement fusions

Authors: Tianyi Liang, Dong Wu, Lifeng Wang, Lianqiang Shan, Zongqiang Yuan, Hongbo Cai, Yuqiu Gu, Zhengmao Sheng, Xiantu He

Abstract: In laser-driven indirect inertial confinement fusion (ICF), a hohlraum--a cavity constructed from high-Z materials--serves the purpose of converting laser energy into thermal x-ray energy. This process involves the interaction of low-density ablated plasmas, which can give rise to weakly collisional shock waves characterized by a Knudsen number $K_n$ on the order of 1. The Knudsen number serves as… ▽ More In laser-driven indirect inertial confinement fusion (ICF), a hohlraum--a cavity constructed from high-Z materials--serves the purpose of converting laser energy into thermal x-ray energy. This process involves the interaction of low-density ablated plasmas, which can give rise to weakly collisional shock waves characterized by a Knudsen number $K_n$ on the order of 1. The Knudsen number serves as a metric for assessing the relative importance of collisional interactions. Preliminary experimental investigations and computational simulations have demonstrated that the kinetic effects associated with weakly collisional shock waves significantly impact the efficiency of the implosion process. Therefore, a comprehensive understanding of the physics underlying weakly collisional shock waves is essential. This research aims to explore the formation and fundamental structural properties of weakly collisional shock waves within a hohlraum, as well as the phenomena of ion mixing and ion separation in multicomponent plasmas. Weakly collisional shocks occupy a transition regime between collisional shock waves ($K_n \ll 1$) and collisionless shock waves ($K_n \gg 1$), thereby exhibiting both kinetic effects and hydrodynamic behavior. These shock waves are primarily governed by an electrostatic field, which facilitates significant electrostatic sheath acceleration and ion reflection acceleration. The differentiation of ions occurs due to the varying charge-to-mass ratios of different ion species in the presence of electrostatic field, resulting in the separation of ion densities, velocities, temperatures and concentrations. The presence of weakly collisional shock waves within the hohlraum is expected to affect the transition of laser energy and the overall efficiency of the implosion process. △ Less

Submitted 17 November, 2024; originally announced November 2024.

NEP-MB-pol: A unified machine-learned framework for fast and accurate prediction of water's thermodynamic and transport properties

Authors: Ke Xu, Ting Liang, Nan Xu, Penghua Ying, Shunda Chen, Ning Wei, Jianbin Xu, Zheyong Fan

Abstract: Water's unique hydrogen-bonding network and anomalous properties pose significant challenges for accurately modeling its structural, thermodynamic, and transport behavior across varied conditions. Although machine-learned potentials have advanced the prediction of individual properties, a unified computational framework capable of simultaneously capturing water's complex and subtle properties with… ▽ More Water's unique hydrogen-bonding network and anomalous properties pose significant challenges for accurately modeling its structural, thermodynamic, and transport behavior across varied conditions. Although machine-learned potentials have advanced the prediction of individual properties, a unified computational framework capable of simultaneously capturing water's complex and subtle properties with high accuracy has remained elusive. Here, we address this challenge by introducing NEP-MB-pol, a highly accurate and efficient neuroevolution potential (NEP) trained on extensive many-body polarization (MB-pol) reference data approaching coupled-cluster-level accuracy, combined with path-integral molecular dynamics and quantum-correction techniques to incorporate nuclear quantum effects. This NEP-MB-pol framework reproduces experimentally measured structural, thermodynamic, and transport properties of water across a broad temperature range, achieving simultaneous, fast, and accurate prediction of self-diffusion coefficient, viscosity, and thermal conductivity. Our approach provides a unified and robust tool for exploring thermodynamic and transport properties of water under diverse conditions, with significant potential for broader applications across research fields. △ Less

Submitted 19 November, 2024; v1 submitted 14 November, 2024; originally announced November 2024.

Comments: 12 pages, 4 figures in the main text; 8 figures in the SI

Journal ref: npj Computational Materials, 11, 279 (2025)

Investigation of Inward-Outward Ring Permanent Magnet Array for Portable Magnetic Resonance Imaging (MRI)

Authors: Ting-Ou Liang, MinXuan Xu, Wenwei Yu, Shao Ying Huang

Abstract: Permanent magnet array (PMA) is a popular option to provide the main magnetic field in a dedicated portable magnetic resonance imaging (MRI) system because it does not need power or a cooling system and has a much stronger field strength compared to a resistive magnet. Aside from the popular Halbach array that has a transversal field direction, the Inward-Outward ring (IO ring) array is a promisin… ▽ More Permanent magnet array (PMA) is a popular option to provide the main magnetic field in a dedicated portable magnetic resonance imaging (MRI) system because it does not need power or a cooling system and has a much stronger field strength compared to a resistive magnet. Aside from the popular Halbach array that has a transversal field direction, the Inward-Outward ring (IO ring) array is a promising candidate that offers a longitudinal field direction with various design and engineering possibilities. In this article, a thorough study of IO ring arrays is conducted by examining the relation between the design parameters and its field patterns, its variants that lead to different applications and their properties. A detailed comparison between an IO ring array and Halbach array was conducted and reported. Moreover, the feasibility of building an IO ring array in a lab is demonstrated. The investigations strongly indicate that IO ring is a promising candidate that can offer high and homogeneous fields or a desired field pattern to portable MRI systems. With a longitudinal field direction, an IO ring array opens up opportunities to adopt MRI advanced technology and techniques in a portable system to improve image quality and shorten scan time. △ Less

Submitted 5 November, 2024; v1 submitted 5 November, 2024; originally announced November 2024.

Measurement of gas properties for the ion-TPC of N$ν$DEx experiment

Authors: Tianyu Liang, Meiqiang Zhan, Hulin Wang, Xianglun Wei, Dongliang Zhang, Jun Liu, Chengui Lu, Qiang Hu, Yichen Yang, Chaosong Gao, Le Xiao, Xiangming Sun, Feng Liu, Chengxin Zhao, Hao Qiu, Kai Chen

Abstract: In the N$ν$DEx collaboration, a high-pressure gas TPC is being developed to search for the neutrinoless double beta decay. The use of electronegative $\mathrm{^{82}SeF_{6}}$ gas mandates an ion-TPC. The reconstruction of $z$ coordinate is to be realized exploiting the feature of multiple species of charge carriers. As the initial stage of the development, we studied the properties of the… ▽ More In the N$ν$DEx collaboration, a high-pressure gas TPC is being developed to search for the neutrinoless double beta decay. The use of electronegative $\mathrm{^{82}SeF_{6}}$ gas mandates an ion-TPC. The reconstruction of $z$ coordinate is to be realized exploiting the feature of multiple species of charge carriers. As the initial stage of the development, we studied the properties of the $\mathrm{SF_{6}}$ gas, which is non-toxic and has similar molecular structure to $\mathrm{SeF_{6}}$. In the paper we present the measurement of drift velocities and mobilities of the majority and minority negative charge carriers found in $\mathrm{SF_{6}}$ at a pressure of 750 Torr, slightly higher than the local atmospheric pressure. The reduced fields range between 3.0 and 5.5 Td. It was performed using a laser beam to ionize the gas inside a small TPC, with a drift length of 3.7 cm. A customized charge sensitive amplifier was developed to read out the anode signals induced by the slowly drifting ions. The reconstruction of $z$ coordinate using the difference in the velocities of the two carriers was also demonstrated. △ Less

Submitted 20 October, 2024; originally announced October 2024.

Comments: 10 pages, 8 figures

Journal ref: Universe 2025, 11, 163

Manipulation of annular electron beams in plasmas

Authors: Yangchun Liu, Dong Wu, Tianyi Liang, Zhengmao Sheng, Xiantu He

Abstract: The annular electron beam has significant practical potential in high-energy physics and condensed matter physics, which can be used to edge-enhancement electron imaging, collimation of antiprotons in conventional linear accelerators, acceleration of positively particles like positrons, structured X-ray generation and manipulation of nanomaterials. The quality of an annular electron beam depends o… ▽ More The annular electron beam has significant practical potential in high-energy physics and condensed matter physics, which can be used to edge-enhancement electron imaging, collimation of antiprotons in conventional linear accelerators, acceleration of positively particles like positrons, structured X-ray generation and manipulation of nanomaterials. The quality of an annular electron beam depends on its energy, flux and topology. In this article, we study the transport characteristics of annular electron beam in a plasma medium and propose a scheme to modify it. According to our theory and full three-dimensional LAPINS simulations, we have found that the self-generated magnetic field focuses the incident annular electron beam, enabling the adjustment of its annular width (AW). Besides, the annular electron beam, endowed with orbital angular momentum (OAM), exhibits contrasting transport characteristics compared to an electron beam devoid of OAM. The former requires an external magnetic field to ensure stable transportation in the plasma. Under the influence of this magnetic field, the radius of the annular electron beam oscillates periodically, with the direction of change whether increasing or decreasing dependent on the field's strength. In this case, the radius of annular electron beam will be affected by the external magnetic field and allows for the simultaneous adjustment of its radius and AW, significantly broadening its application range. △ Less

Submitted 14 October, 2024; originally announced October 2024.

Phonon coherence and minimum thermal conductivity in disordered superlattice

Authors: Xin Wu, Zhang Wu, Ting Liang, Zheyong Fan, Jianbin Xu, Masahiro Nomura, Penghua Ying

Abstract: Phonon coherence elucidates the propagation and interaction of phonon quantum states within superlattice, unveiling the wave-like nature and collective behaviors of phonons. Taking MoSe$_2$/WSe$_2$ lateral heterostructures as a model system, we demonstrate that the intricate interplay between wave-like and particle-like phonons, previously observed in perfect superlattice only, also occurs in diso… ▽ More Phonon coherence elucidates the propagation and interaction of phonon quantum states within superlattice, unveiling the wave-like nature and collective behaviors of phonons. Taking MoSe$_2$/WSe$_2$ lateral heterostructures as a model system, we demonstrate that the intricate interplay between wave-like and particle-like phonons, previously observed in perfect superlattice only, also occurs in disordered superlattice. By employing molecular dynamics simulation based on a highly accurate and efficient machine-learned potential constructed herein, we observe a non-monotonic dependence of the lattice thermal conductivity on the interface density in both perfect and disordered superlattice, with a global minimum occurring at relatively higher interface density for disordered superlattice. The counter-intuitive phonon coherence contribution can be characterized by the lagged self-similarity of the structural sequences in the disordered superlattice. Our findings extend the realm of coherent phonon transport from perfect superlattice to more general structures, which offers more flexibility in tuning thermal transport in superlattices. △ Less

Submitted 2 October, 2024; originally announced October 2024.

Comments: 10 pages, 6 figures

Journal ref: Physical Review B 111, 085413 (2025)

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.

Assessing Proton-Boron Fusion Feasibility under non-Thermal Equilibrium Conditions: Rider's Inhibition Revisited

Authors: S. J. Liu, D. Wu, B. Liu, Y. -K. M. Peng, J. Q. Dong, T. Y. Liang, Z. M. Sheng

Abstract: Compared to the D-T reaction, the neutron-free proton-boron (p-$^{11}$B) fusion has garnered increasing attention in recent years. However, significant Bremsstrahlung losses pose a formidable challenge in p-$^{11}$B plasmas in achieving $Q>1$ in thermal equilibrium. The primary aim of this study is to corroborate Todd H. Rider's seminal work in the 1997 Physics of Plasmas, who investigated the fea… ▽ More Compared to the D-T reaction, the neutron-free proton-boron (p-$^{11}$B) fusion has garnered increasing attention in recent years. However, significant Bremsstrahlung losses pose a formidable challenge in p-$^{11}$B plasmas in achieving $Q>1$ in thermal equilibrium. The primary aim of this study is to corroborate Todd H. Rider's seminal work in the 1997 Physics of Plasmas, who investigated the feasibility of sustaining p-$^{11}$B fusion under non-thermal equilibrium conditions. Employing a series of simulations with new fusion cross-section, we assessed the minimum recirculating power that must be recycled to maintain the system's non-thermal equilibrium and found that it is substantially greater than the fusion power output, aligning with Rider's conclusions, whether under the conditions of non-Maxwellian electron distribution or Maxwellian electron distribution, reactors reliant on non-equilibrium plasmas for p-$^{11}$B fusion are unlikely to achieve net power production without the aid of highly efficient external heat engines. However, maintaining the ion temperature at 300 keV and the Coulomb logarithm at 15, while increasing the electron temperature beyond 23.33 keV set by Rider, leads to diminished electron-ion energy transfer and heightened Bremsstrahlung radiation. When the electron temperature approaches approximately 140 keV, this progression ultimately leads to a scenario where the power of Bremsstrahlung loss equals the power of electron-ion interactions, yet remains inferior to the fusion power. Consequently, this results in a net gain in energy production. △ Less

Submitted 21 May, 2024; originally announced May 2024.

Molecular dynamics simulations of heat transport using machine-learned potentials: A mini review and tutorial on GPUMD with neuroevolution potentials

Authors: Haikuan Dong, Yongbo Shi, Penghua Ying, Ke Xu, Ting Liang, Yanzhou Wang, Zezhu Zeng, Xin Wu, Wenjiang Zhou, Shiyun Xiong, Shunda Chen, Zheyong Fan

Abstract: Molecular dynamics (MD) simulations play an important role in understanding and engineering heat transport properties of complex materials. An essential requirement for reliably predicting heat transport properties is the use of accurate and efficient interatomic potentials. Recently, machine-learned potentials (MLPs) have shown great promise in providing the required accuracy for a broad range of… ▽ More Molecular dynamics (MD) simulations play an important role in understanding and engineering heat transport properties of complex materials. An essential requirement for reliably predicting heat transport properties is the use of accurate and efficient interatomic potentials. Recently, machine-learned potentials (MLPs) have shown great promise in providing the required accuracy for a broad range of materials. In this mini review and tutorial, we delve into the fundamentals of heat transport, explore pertinent MD simulation methods, and survey the applications of MLPs in MD simulations of heat transport. Furthermore, we provide a step-by-step tutorial on developing MLPs for highly efficient and predictive heat transport simulations, utilizing the neuroevolution potentials (NEPs) as implemented in the GPUMD package. Our aim with this mini review and tutorial is to empower researchers with valuable insights into cutting-edge methodologies that can significantly enhance the accuracy and efficiency of MD simulations for heat transport studies. △ Less

Submitted 24 April, 2024; v1 submitted 29 January, 2024; originally announced January 2024.

Comments: 25 pages, 9 figures. This paper is part of the special topic, Machine Learning for Thermal Transport

Journal ref: J. Appl. Phys. 135, 161101 (2024)

General-purpose machine-learned potential for 16 elemental metals and their alloys

Authors: Keke Song, Rui Zhao, Jiahui Liu, Yanzhou Wang, Eric Lindgren, Yong Wang, Shunda Chen, Ke Xu, Ting Liang, Penghua Ying, Nan Xu, Zhiqiang Zhao, Jiuyang Shi, Junjie Wang, Shuang Lyu, Zezhu Zeng, Shirong Liang, Haikuan Dong, Ligang Sun, Yue Chen, Zhuhua Zhang, Wanlin Guo, Ping Qian, Jian Sun, Paul Erhart , et al. (3 additional authors not shown)

Abstract: Machine-learned potentials (MLPs) have exhibited remarkable accuracy, yet the lack of general-purpose MLPs for a broad spectrum of elements and their alloys limits their applicability. Here, we present a feasible approach for constructing a unified general-purpose MLP for numerous elements, demonstrated through a model (UNEP-v1) for 16 elemental metals and their alloys. To achieve a complete repre… ▽ More Machine-learned potentials (MLPs) have exhibited remarkable accuracy, yet the lack of general-purpose MLPs for a broad spectrum of elements and their alloys limits their applicability. Here, we present a feasible approach for constructing a unified general-purpose MLP for numerous elements, demonstrated through a model (UNEP-v1) for 16 elemental metals and their alloys. To achieve a complete representation of the chemical space, we show, via principal component analysis and diverse test datasets, that employing one-component and two-component systems suffices. Our unified UNEP-v1 model exhibits superior performance across various physical properties compared to a widely used embedded-atom method potential, while maintaining remarkable efficiency. We demonstrate our approach's effectiveness through reproducing experimentally observed chemical order and stable phases, and large-scale simulations of plasticity and primary radiation damage in MoTaVW alloys. This work represents a significant leap towards a unified general-purpose MLP encompassing the periodic table, with profound implications for materials science. △ Less

Submitted 12 June, 2024; v1 submitted 8 November, 2023; originally announced November 2023.

Comments: Main text with 17 pages and 8 figures; supplementary with 26 figures and 4 tables; source code and training/test data available

Journal ref: Nature Communications 15, 10208 (2024)

A resolvent-based prediction framework for incompressible turbulent channel flow with limited measurements

Authors: Anjia Ying, Tian Liang, Zhigang Li, Lin Fu

Abstract: A new resolvent-based method is developed to predict the space-time properties of the flow field. To overcome the deterioration of the prediction accuracy with the increasing distance between the measurements and predictions in the Resolvent-Based Estimation (RBE), the newly proposed method utilizes the RBE to estimate the relative energy distribution near the wall rather than the absolute energy… ▽ More A new resolvent-based method is developed to predict the space-time properties of the flow field. To overcome the deterioration of the prediction accuracy with the increasing distance between the measurements and predictions in the Resolvent-Based Estimation (RBE), the newly proposed method utilizes the RBE to estimate the relative energy distribution near the wall rather than the absolute energy directly estimated from the measurements. Using this extra information from RBE, the new method modifies the energy distribution of the spatially uniform and uncorrelated forcing that drives the flow system by minimizing the norm of the cross-spectral density (CSD) tensor of the error matrix in the near-wall region in comparison with the RBE-estimated one, and therefore it is named as the Resolvent-informed White-noise-based Estimation (RWE) method. For validation, three time-resolved direct numerical simulation (DNS) datasets with the friction Reynolds numbers $Re_τ= 180$, 550, and 950 are generated, with various locations of measurements ranging from the near-wall region ($y^+ = 40$) to the upper bound of the logarithmic region ($y/h \approx 0.2$) for the predictions. Besides the RWE, three existing methods, i.e., the RBE, the $λ$-model, and the White-noise-Based Estimation (WBE), are also included for the validation. The performance of the RBE and $λ$-model in predicting the energy spectra shows a strong dependence on the measurement locations. The newly proposed RWE shows a low sensitivity on $Re_τ$ and the measurement locations, which may range from the near-wall region to the upper bound of the logarithmic region, and has a high accuracy in predicting the energy spectra. △ Less

Submitted 15 October, 2023; originally announced October 2023.

Comments: 42 pages, 24 figures, accepted by Journal of Fluid Mechanics

MSC Class: 76F02; 76F10; 76F65; 76F20

Mechanisms of temperature-dependent thermal transport in amorphous silica from machine-learning molecular dynamics

Authors: Ting Liang, Penghua Ying, Ke Xu, Zhenqiang Ye, Chao Ling, Zheyong Fan, Jianbin Xu

Abstract: Amorphous silica (a-SiO$_2$) is a foundational disordered material for which the thermal transport properties are important for various applications. To accurately model the interatomic interactions in classical molecular dynamics (MD) simulations of thermal transport in a-SiO$_2$, we herein develop an accurate yet highly efficient machine-learned potential model that allowed us to generate a-SiO… ▽ More Amorphous silica (a-SiO$_2$) is a foundational disordered material for which the thermal transport properties are important for various applications. To accurately model the interatomic interactions in classical molecular dynamics (MD) simulations of thermal transport in a-SiO$_2$, we herein develop an accurate yet highly efficient machine-learned potential model that allowed us to generate a-SiO$_2$ samples closely resembling experimentally produced ones. Using the homogeneous nonequilibrium MD method and a proper quantum-statistical correction to the classical MD results, quantitative agreement with experiments is achieved for the thermal conductivities of bulk and 190 nm-thick a-SiO$_2$ films over a wide range of temperatures. To interrogate the thermal vibrations at different temperatures, we calculated the current correlation functions corresponding to the transverse acoustic (TA) and longitudinal acoustic (LA) collective vibrations. The results reveal that below the Ioffe-Regel crossover frequency, phonons as well-defined excitations, remain applicable in a-SiO$_2$ and play a predominant role at low temperatures, resulting in a temperature-dependent increase in thermal conductivity. In the high-temperature region, more phonons are excited, accompanied by a more intense liquid-like diffusion event. We attribute the temperature-independent thermal conductivity in the high-temperature range of a-SiO$_2$ to the collaborative involvement of excited phonon scattering and liquid-like diffusion in heat conduction. These findings provide physical insights into the thermal transport of a-SiO$_2$ and are expected to be applied to a vast range of amorphous materials. △ Less

Submitted 1 November, 2023; v1 submitted 13 October, 2023; originally announced October 2023.

Comments: 12 pages, 7 figures in main text; 15 pages, 12 figures in Supplemental Material

Journal ref: Physical Review B 108, 184203 (2023)

Large-scale Kinetic Simulations of Colliding Plasmas within a Hohlraum of Indirect Drive Inertial Confinement Fusions

Authors: Tianyi Liang, Dong Wu, Xiaochuan Ning, Lianqiang Shan, Zongqiang Yuan, Hongbo Cai, Zhengmao Sheng, Xiantu He

Abstract: The National Ignition Facility has recently achieved successful burning plasma and ignition using the inertial confinement fusion (ICF) approach. However, there are still many fundamental physics phenomena that are not well understood, including the kinetic processes in the hohlraum. Shan et al. [Phys. Rev. Lett, 120, 195001, 2018] utilized the energy spectra of neutrons to investigate the kinetic… ▽ More The National Ignition Facility has recently achieved successful burning plasma and ignition using the inertial confinement fusion (ICF) approach. However, there are still many fundamental physics phenomena that are not well understood, including the kinetic processes in the hohlraum. Shan et al. [Phys. Rev. Lett, 120, 195001, 2018] utilized the energy spectra of neutrons to investigate the kinetic colliding plasma in a hohlraum of indirect drive ICF. However, due to the typical large spatial-temporal scales, this experiment could not be well simulated by using available codes at that time. Utilizing our advanced high-order implicit PIC code, LAPINS, we were able to successfully reproduce the experiment on a large scale of both spatial and temporal dimensions, in which the original computational scale was increased by approximately 7 to 8 orders of magnitude. When gold plasmas expand into deuterium plasmas, a kinetic shock is generated and propagates within deuterium plasmas. Simulations allow us to observe the entire progression of a strong shock wave, including its initial formation and steady propagation. Although both electrons and gold ions are collisional (on a small scale compared to the shock wave), deuterium ions seem to be collisionless. This is because a quasi-monoenergetic spectrum of deuterium ions can be generated by reflecting ions from the shock front, which then leads to the production of neutrons with unusual broadening due to beam-target nuclear reactions. This work displays an unprecedented kinetic analysis of an existing experiment, shedding light on the mechanisms behind shock wave formation. It also serves as a reference for benchmark simulations of upcoming new simulation codes and may be relevant for future research on mixtures and entropy increments at plasma interfaces. △ Less

Submitted 20 September, 2023; originally announced September 2023.

A new smoothed particle hydrodynamics method based on high-order moving-least-square targeted essentially non-oscillatory scheme for compressible flows

Authors: Tianrun Gao, Tian Liang, Lin Fu

Abstract: In this study, we establish a hybrid high-order smoothed particle hydrodynamics (SPH) framework (MLS-TENO-SPH) for compressible flows with discontinuities, which is able to achieve genuine high-order convergence in smooth regions and also capture discontinuities well in non-smooth regions. The framework can be either fully Lagrangian, Eulerian or realizing arbitary-Lagrangian-Eulerian (ALE) featur… ▽ More In this study, we establish a hybrid high-order smoothed particle hydrodynamics (SPH) framework (MLS-TENO-SPH) for compressible flows with discontinuities, which is able to achieve genuine high-order convergence in smooth regions and also capture discontinuities well in non-smooth regions. The framework can be either fully Lagrangian, Eulerian or realizing arbitary-Lagrangian-Eulerian (ALE) feature enforcing the isotropic particle distribution in specific cases. In the proposed framework, the computational domain is divided into smooth regions and non-smooth regions, and these two regions are determined by a strong scale separation strategy in the targeted essentially non-oscillatory (TENO) scheme. In smooth regions, the moving-least-square (MLS) approximation is used for evaluating high-order derivative operator, which is able to realize genuine high-order construction; in non-smooth regions, the new TENO scheme based on Vila's framework with several new improvements will be deployed to capture discontinuities and high-wavenumber flow scales with low numerical dissipation. The present MLS-TENO-SPH method is validated with a set of challenging cases based on the Eulerian, Lagrangian or ALE framework. Numerical results demonstrate that the MLS-TENO-SPH method features lower numerical dissipation and higher efficiency than the conventional method, and can restore genuine high-order accuracy in smooth regions. Overall, the proposed framework serves as a new exploration in high-order SPH methods, which are potential for compressible flow simulations with shockwaves. △ Less

Submitted 1 June, 2023; originally announced June 2023.

Comments: 36 pages, 15 figures, accepted by Journal of Computational Physics on June 1st, 2023

MSC Class: 76N06; 76N15; 65M22; 76M28; 65N75

Diagnosis of Fast Electron Transport by Coherent Transition Radiation

Authors: Yangchun Liu, Xiaochuan Ning, Dong Wu, Tianyi Liang, Peng Liu, Shujun Liu, Xu Liu, Zhengmao Sheng, Wei Hong, Yuqiu Gu, Xiantu He

Abstract: Transport of fast electron in overdense plasmas is of key importance in high energy density physics. However, it is challenging to diagnose the fast electron transport in experiments. In this article, we study coherent transition radiation (CTR) generated by fast electrons on the back surface of the target by using 2D and 3D first-principle particle-in-cell (PIC) simulations. In our simulations, a… ▽ More Transport of fast electron in overdense plasmas is of key importance in high energy density physics. However, it is challenging to diagnose the fast electron transport in experiments. In this article, we study coherent transition radiation (CTR) generated by fast electrons on the back surface of the target by using 2D and 3D first-principle particle-in-cell (PIC) simulations. In our simulations, aluminium target of 2.7 g/cc is simulated in two different situations by using a newly developed high order implicit PIC code. Comparing realistic simulations containing collision and ionization effects, artificial simulations without taking collision and ionization effects into account significantly underestimate the energy loss of electron beam when transporting in the target, which fail to describe the complete characteristics of CTR produced by electron beam on the back surface of the target. Realistic simulations indicate the diameter of CTR increases when the thickness of the target is increased. This is attributed to synergetic energy losses of high flux fast electrons due to Ohm heatings and colliding drags, which appear quite significant even when the thickness of the solid target only differs by micrometers. Especially, when the diagnosing position is fixed, we find that the intensity distribution of the CTR is also a function of time, with the diameter increased with time. As the diameter of CTR is related to the speed of electrons passing through the back surface of the target, our finding may be used as a new tool to diagnose the electron energy spectra near the surface of solid density plasmas. △ Less

Submitted 11 May, 2023; originally announced May 2023.

Comments: accepted by New Journal of Physics

Twist-Dependent Anisotropic Thermal Conductivity in Homogeneous MoS$_2$ Stacks

Authors: Wenwu Jiang, Ting Liang, Jianbin Xu, Wengen Ouyang

Abstract: Thermal transport property of homogeneous twisted molybdenum disulfide (MoS$_2$) is investigated using non-equilibrium molecular dynamics simulations with the state-of-art force fields. The simulation results demonstrate that the cross-plane thermal conductivity strongly depends on the interfacial twist angle, while it has only a minor effect on the in-plane thermal conductivity, exhibiting a high… ▽ More Thermal transport property of homogeneous twisted molybdenum disulfide (MoS$_2$) is investigated using non-equilibrium molecular dynamics simulations with the state-of-art force fields. The simulation results demonstrate that the cross-plane thermal conductivity strongly depends on the interfacial twist angle, while it has only a minor effect on the in-plane thermal conductivity, exhibiting a highly anisotropic nature. A frequency-decomposed phonon analysis showed that both the cross-plane and in-plane thermal conductivity of MoS$_2$ are dominated by the low-frequency phonons below 15 THz. As the interfacial twist angle increases, these low-frequency phonons significantly attenuate the phonon transport across the interface, leading to impeded cross-plane thermal transport. However, the in-plane phonon transport is almost unaffected, which allows for maintaining high in-plane thermal conductivity. Additionally, our study revealed the strong size dependence for both cross-plane and in-plane thermal conductivities due to the low-frequency phonons of MoS$_2$. The maximum in-plane to cross-plane thermal anisotropy ratio is estimated as 400 for twisted MoS$_2$ from our simulation, which is in the same order of magnitude as recent experimental results (~900). Our study highlights the potential of twist engineering as a tool for tailoring the thermal transport properties of layered materials. △ Less

Submitted 6 May, 2023; originally announced May 2023.

Comments: 25 pages, 5 figures and with SI

Report number: Volume 217, 15 December 2023, 124662

Journal ref: International Journal of Heat and Mass Transfer, 15 December 2023

NvDEx-100 Conceptual Design Report

Authors: X. Cao, Y. Chang, K. Chen, E. Ciuffoli, L. Duan, D. Fang, C. Gao, S. K. Ghorui, P. Hu, Q. Hu, S. Huang, Z. Huang, L. Lang, Y. Li, Z. Li, T. Liang, J. Liu, C. Lu, F. Mai, Y. Mei, H. Qiu, X. Sun, X. Tang, H. Wang, Q. Wang , et al. (12 additional authors not shown)

Abstract: Observing nuclear neutrinoless double beta (0vbb) decay would be a revolutionary result in particle physics. Observing such a decay would prove that the neutrinos are their own antiparticles, help to study the absolute mass of neutrinos, explore the origin of their mass, and may explain the matter-antimatter asymmetry in our universe by lepton number violation. We propose developing a time proje… ▽ More Observing nuclear neutrinoless double beta (0vbb) decay would be a revolutionary result in particle physics. Observing such a decay would prove that the neutrinos are their own antiparticles, help to study the absolute mass of neutrinos, explore the origin of their mass, and may explain the matter-antimatter asymmetry in our universe by lepton number violation. We propose developing a time projection chamber (TPC) using high-pressure 82SeF6 gas and top-metal silicon sensors for read-out in the China Jinping Underground Laboratory (CJPL) to search for neutrinoless double beta decay of 82Se, called the NvDEx experiment. Besides being located at CJPL with the world's thickest rock shielding, NvDEx combines the advantages of the high Qbb (2.996 MeV) of 82Se and the TPC's ability to distinguish signal and background events using their different topological characteristics. This makes NvDEx unique, with great potential for low-background and high-sensitivity 0vbb searches. NvDEx-100, a NvDEx experiment phase with 100 kg of SeF6 gas, is being built, with plans to complete installation at CJPL by 2025. This report introduces 0vbb physics, the NvDEx concept and its advantages, and the schematic design of NvDEx-100, its subsystems, and background and sensitivity estimation. △ Less

Submitted 1 December, 2023; v1 submitted 17 April, 2023; originally announced April 2023.

Journal ref: Nuclear Science and Techniques (2024) 35:3

A high-efficiency proton-boron fusion scheme taking into account the effects of quantum degeneracy

Authors: S. J. Liu, D. Wu, T. X. Hu, T. Y. Liang, X. C. Ning, J. H. Liang, Y. C. Liu, P. Liu, X. Liu, Z. M. Sheng, Y. T. Zhao, D. H. H. Hoffmann, X. T. He, J. Zhang

Abstract: The proton-boron (p-$^{11}$B) reaction is regarded as the holy grail of advanced fusion fuels, since the primary reaction produces three $α$ particles with few neutrons and induced radio-activities from second order reactions. Compared to the Deuterium-Tritium reaction a much higher reaction temperature is required. Moreover, bremsstrahlung energy losses due to the high nuclear charge of boron dee… ▽ More The proton-boron (p-$^{11}$B) reaction is regarded as the holy grail of advanced fusion fuels, since the primary reaction produces three $α$ particles with few neutrons and induced radio-activities from second order reactions. Compared to the Deuterium-Tritium reaction a much higher reaction temperature is required. Moreover, bremsstrahlung energy losses due to the high nuclear charge of boron deem it seemingly apparent than a fusion reactor based on Deuterium-Tritium plasma in equilibrium is to say the least very difficult.It is becoming more appealing to collide intense laser beams or accelerated proton beams with a boron target to produce p-$^{11}$B reactions. The fusion yield of p-$^{11}$B reactions is closely related to proton beam parameters and boron target conditions such as density, temperature, and ingredients. Quantum degeneracy will increase fusion yields by reducing the stopping power of injected protons. In this work, we suggest a high-efficiency scheme for beam-target p-$^{11}$B fusions via injecting a MeV proton beam into a highly compressed quantum degenerated boron target. Such a boron target can be achieved via quasi-isentropic compression of solid boron by using precisely shaped laser pulses. Our results indicate that for densities ranging from $10^3$ to $10^4ρ_s$, where $ρ_s$ is the density of solid boron, contributions of bound and free electrons to the stopping of protons can be completely disregarded and dramatically reduced respectively. The result is an increase in fusion yield by orders of magnitude. Furthermore, in order to achieve multiplication factor $F$ greater than one, with $F$ defined as the ratio of output fusion energy to the energy of injected protons, it is found there exits a minimum possible density of boron target, which is $2.15 \times 10^4 ρ_s$ when the kinetic energy of injected protons is $0.8$ MeV. △ Less

Submitted 17 April, 2023; originally announced April 2023.

CE$ν$NS Experiment Proposal at CSNS

Authors: Chenguang Su, Qian Liu, Tianjiao Liang

Abstract: The detection and cross-section measurement of Coherent Elastic Neutrino-Nucleus Scattering (CEνNS) are vital for particle physics, astrophysics, and nuclear physics. Therefore, a new CEνNS detection experiment is proposed in China. Undoped CsI crystals, each coupled with two Photon Multiplier Tubes (PMTs), will be cooled down to 77K and placed at the China Spallation Neutron Source (CSNS) to dete… ▽ More The detection and cross-section measurement of Coherent Elastic Neutrino-Nucleus Scattering (CEνNS) are vital for particle physics, astrophysics, and nuclear physics. Therefore, a new CEνNS detection experiment is proposed in China. Undoped CsI crystals, each coupled with two Photon Multiplier Tubes (PMTs), will be cooled down to 77K and placed at the China Spallation Neutron Source (CSNS) to detect the CEνNS signals produced by neutrinos from stopped pion decays happening within the Tungsten target of CSNS. Owing to the extremely high light yield of pure CsI at 77K, even though it only has a neutrino flux 60\% weaker than the COHERENT experiment, the detectable signal event rate is still expected to be 0.074/day/kg (0.053/day/kg for COHERENT). Low radioactivity materials and devices will be used to construct the detector, and strong shielding will be applied to reduce the radioactive and neutron background. Dual-PMT readout should be able to reject PMT-related background, such as Cherenkov light and PMT dark noise. With all the strategies mentioned above, we hope to reach a 5.1σ signal detection significance within six months of data taking with a 12kg CsI. This presentation will discuss the experiment's design, as well as the estimation of the signal, various kinds of background, and expected signal sensitivity. △ Less

Submitted 27 July, 2023; v1 submitted 23 March, 2023; originally announced March 2023.

Journal ref: CEνNS Experiment Proposal at CSNS. Physical Sciences Forum. 2023; 8(1):19

A five-point TENO scheme with adaptive dissipation based on a new scale sensor

Authors: Haohan Huang, Tian Liang, Lin Fu

Abstract: In this paper, a new five-point targeted essentially non-oscillatory (TENO) scheme with adaptive dissipation is proposed. With the standard TENO weighting strategy, the cut-off parameter $C_T$ determines the nonlinear numerical dissipation of the resultant TENO scheme. Moreover, according to the dissipation-adaptive TENO5-A scheme, the choice of the cut-off parameter $C_T$ highly depends on the ef… ▽ More In this paper, a new five-point targeted essentially non-oscillatory (TENO) scheme with adaptive dissipation is proposed. With the standard TENO weighting strategy, the cut-off parameter $C_T$ determines the nonlinear numerical dissipation of the resultant TENO scheme. Moreover, according to the dissipation-adaptive TENO5-A scheme, the choice of the cut-off parameter $C_T$ highly depends on the effective scale sensor. However, the scale sensor in TENO5-A can only roughly detect the discontinuity locations instead of evaluating the local flow wavenumber as desired. In this work, a new five-point scale sensor, which can estimate the local flow wavenumber accurately, is proposed to further improve the performance of TENO5-A. In combination with a hyperbolic tangent function, the new scale sensor is deployed to the TENO5-A framework for adapting the cut-off parameter $C_T$, i.e., the local nonlinear dissipation, according to the local flow wavenumber. Overall, sufficient numerical dissipation is generated to capture discontinuities, whereas a minimum amount of dissipation is delivered for better resolving the smooth flows. A set of benchmark cases is simulated to demonstrate the performance of the new TENO5-A scheme. △ Less

Submitted 17 March, 2023; originally announced March 2023.

Comments: 40 pages, 11 figures, accepted to be published by Communications in Computational Physics

MSC Class: 76F40; 35L03; 35L65; 35D30; 35D40

Accurate prediction of heat conductivity of water by a neuroevolution potential

Authors: Ke Xu, Yongchao Hao, Ting Liang, Penghua Ying, Jianbin Xu, Jianyang Wu, Zheyong Fan

Abstract: We propose an approach that can accurately predict the heat conductivity of liquid water. On the one hand, we develop an accurate machine-learned potential based on the neuroevolution-potential approach that can achieve quantum-mechanical accuracy at the cost of empirical force fields. On the other hand, we combine the Green-Kubo method and the spectral decomposition method within the homogeneous… ▽ More We propose an approach that can accurately predict the heat conductivity of liquid water. On the one hand, we develop an accurate machine-learned potential based on the neuroevolution-potential approach that can achieve quantum-mechanical accuracy at the cost of empirical force fields. On the other hand, we combine the Green-Kubo method and the spectral decomposition method within the homogeneous nonequilibrium molecular dynamics framework to account for the quantum-statistical effects of high-frequency vibrations. Excellent agreement with experiments under both isobaric and isochoric conditions within a wide range of temperatures is achieved using our approach. △ Less

Submitted 18 May, 2023; v1 submitted 18 February, 2023; originally announced February 2023.

Comments: 8 pages, 7 figures

Journal ref: J. Chem. Phys. 158, 204114 (2023)

Ultra-soft Thermal Diodes Enabled by Dual-Alkane-Based Phase Change Composites

Authors: Yunsong Pang, Junhong Li, Zhibin Wen, Ting Liang, Shan Gao, Dezhao Huang, Rong Sun Jianbin Xu Tengfei Luo, Xiaoliang Zeng

Abstract: Thermal diode, a type of device that allows heat to flow in one direction preferentially, can be employed in many thermal applications. However, if the mechanical compliance of the thermal diode is poor, which prevents its intimate contact with heat source or sink surfaces, the thermal rectification performance cannot be used to its full extent. In this work, we introduce a heterojunction thermal… ▽ More Thermal diode, a type of device that allows heat to flow in one direction preferentially, can be employed in many thermal applications. However, if the mechanical compliance of the thermal diode is poor, which prevents its intimate contact with heat source or sink surfaces, the thermal rectification performance cannot be used to its full extent. In this work, we introduce a heterojunction thermal diode made of a phase change material (PCM) consisting of dual alkanes (hexadecane and paraffine wax) and polyurethane. The fabricated thermal diode exhibits an ultra soft mechanical feature, with a low elastic modulus of 0.4 KPa and larger than 300% elongation until failure: the best values reported to date for thermal diodes. The measured thermal rectification factor is as high as 1.42 that in line with the theoretical model prediction. Molecular dynamic simulations reveal that the thermal rectification mechanism of the PCM based thermal diode originates from the crystal-amorphous phase transition of the hexadecane terminal as the temperature bias flips. Therefore, the heat flow in the forward direction is greater than the flux in the reverse direction. A series of experiments and finite element analyses are employed to verify the feasibility of thermal diodes for applications. Our results demonstrate that the fabricated thermal diode can be potentially used in building envelop to help with temperature regulation and thus reduce energy consumption for space cooling or heating. △ Less

Submitted 11 January, 2023; originally announced January 2023.

Journal ref: Materials Today Physics (2024): 101450

Design of the ECCE Detector for the Electron Ion Collider

Authors: J. K. Adkins, Y. Akiba, A. Albataineh, M. Amaryan, I. C. Arsene, C. Ayerbe Gayoso, J. Bae, X. Bai, M. D. Baker, M. Bashkanov, R. Bellwied, F. Benmokhtar, V. Berdnikov, J. C. Bernauer, F. Bock, W. Boeglin, M. Borysova, E. Brash, P. Brindza, W. J. Briscoe, M. Brooks, S. Bueltmann, M. H. S. Bukhari, A. Bylinkin, R. Capobianco , et al. (259 additional authors not shown)

Abstract: The EIC Comprehensive Chromodynamics Experiment (ECCE) detector has been designed to address the full scope of the proposed Electron Ion Collider (EIC) physics program as presented by the National Academy of Science and provide a deeper understanding of the quark-gluon structure of matter. To accomplish this, the ECCE detector offers nearly acceptance and energy coverage along with excellent track… ▽ More The EIC Comprehensive Chromodynamics Experiment (ECCE) detector has been designed to address the full scope of the proposed Electron Ion Collider (EIC) physics program as presented by the National Academy of Science and provide a deeper understanding of the quark-gluon structure of matter. To accomplish this, the ECCE detector offers nearly acceptance and energy coverage along with excellent tracking and particle identification. The ECCE detector was designed to be built within the budget envelope set out by the EIC project while simultaneously managing cost and schedule risks. This detector concept has been selected to be the basis for the EIC project detector. △ Less

Submitted 20 July, 2024; v1 submitted 6 September, 2022; originally announced September 2022.

Comments: 34 pages, 30 figures, 9 tables

Report number: JLAB-PHY-24-4124

Detector Requirements and Simulation Results for the EIC Exclusive, Diffractive and Tagging Physics Program using the ECCE Detector Concept

Authors: A. Bylinkin, C. T. Dean, S. Fegan, D. Gangadharan, K. Gates, S. J. D. Kay, I. Korover, W. B. Li, X. Li, R. Montgomery, D. Nguyen, G. Penman, J. R. Pybus, N. Santiesteban, R. Trotta, A. Usman, M. D. Baker, J. Frantz, D. I. Glazier, D. W. Higinbotham, T. Horn, J. Huang, G. Huber, R. Reed, J. Roche , et al. (258 additional authors not shown)

Abstract: This article presents a collection of simulation studies using the ECCE detector concept in the context of the EIC's exclusive, diffractive, and tagging physics program, which aims to further explore the rich quark-gluon structure of nucleons and nuclei. To successfully execute the program, ECCE proposed to utilize the detecter system close to the beamline to ensure exclusivity and tag ion beam/fr… ▽ More This article presents a collection of simulation studies using the ECCE detector concept in the context of the EIC's exclusive, diffractive, and tagging physics program, which aims to further explore the rich quark-gluon structure of nucleons and nuclei. To successfully execute the program, ECCE proposed to utilize the detecter system close to the beamline to ensure exclusivity and tag ion beam/fragments for a particular reaction of interest. Preliminary studies confirmed the proposed technology and design satisfy the requirements. The projected physics impact results are based on the projected detector performance from the simulation at 10 or 100 fb^-1 of integrated luminosity. Additionally, a few insights on the potential 2nd Interaction Region can (IR) were also documented which could serve as a guidepost for the future development of a second EIC detector. △ Less

Submitted 6 March, 2023; v1 submitted 30 August, 2022; originally announced August 2022.

Open Heavy Flavor Studies for the ECCE Detector at the Electron Ion Collider

Authors: X. Li, J. K. Adkins, Y. Akiba, A. Albataineh, M. Amaryan, I. C. Arsene, C. Ayerbe Gayoso, J. Bae, X. Bai, M. D. Baker, M. Bashkanov, R. Bellwied, F. Benmokhtar, V. Berdnikov, J. C. Bernauer, F. Bock, W. Boeglin, M. Borysova, E. Brash, P. Brindza, W. J. Briscoe, M. Brooks, S. Bueltmann, M. H. S. Bukhari, A. Bylinkin , et al. (262 additional authors not shown)

Abstract: The ECCE detector has been recommended as the selected reference detector for the future Electron-Ion Collider (EIC). A series of simulation studies have been carried out to validate the physics feasibility of the ECCE detector. In this paper, detailed studies of heavy flavor hadron and jet reconstruction and physics projections with the ECCE detector performance and different magnet options will… ▽ More The ECCE detector has been recommended as the selected reference detector for the future Electron-Ion Collider (EIC). A series of simulation studies have been carried out to validate the physics feasibility of the ECCE detector. In this paper, detailed studies of heavy flavor hadron and jet reconstruction and physics projections with the ECCE detector performance and different magnet options will be presented. The ECCE detector has enabled precise EIC heavy flavor hadron and jet measurements with a broad kinematic coverage. These proposed heavy flavor measurements will help systematically study the hadronization process in vacuum and nuclear medium especially in the underexplored kinematic region. △ Less

Submitted 23 July, 2022; v1 submitted 21 July, 2022; originally announced July 2022.

Comments: Open heavy flavor studies with the EIC reference detector design by the ECCE consortium. 11 pages, 11 figures, to be submitted to the Nuclear Instruments and Methods A

Report number: LANL report number: LA-UR-22-27181

Exclusive J/$ψ$ Detection and Physics with ECCE

Authors: X. Li, J. K. Adkins, Y. Akiba, A. Albataineh, M. Amaryan, I. C. Arsene, C. Ayerbe Gayoso, J. Bae, X. Bai, M. D. Baker, M. Bashkanov, R. Bellwied, F. Benmokhtar, V. Berdnikov, J. C. Bernauer, F. Bock, W. Boeglin, M. Borysova, E. Brash, P. Brindza, W. J. Briscoe, M. Brooks, S. Bueltmann, M. H. S. Bukhari, A. Bylinkin , et al. (262 additional authors not shown)

Abstract: Exclusive heavy quarkonium photoproduction is one of the most popular processes in EIC, which has a large cross section and a simple final state. Due to the gluonic nature of the exchange Pomeron, this process can be related to the gluon distributions in the nucleus. The momentum transfer dependence of this process is sensitive to the interaction sites, which provides a powerful tool to probe the… ▽ More Exclusive heavy quarkonium photoproduction is one of the most popular processes in EIC, which has a large cross section and a simple final state. Due to the gluonic nature of the exchange Pomeron, this process can be related to the gluon distributions in the nucleus. The momentum transfer dependence of this process is sensitive to the interaction sites, which provides a powerful tool to probe the spatial distribution of gluons in the nucleus. Recently the problem of the origin of hadron mass has received lots of attention in determining the anomaly contribution $M_{a}$. The trace anomaly is sensitive to the gluon condensate, and exclusive production of quarkonia such as J/$ψ$ and $Υ$ can serve as a sensitive probe to constrain it. In this paper, we present the performance of the ECCE detector for exclusive J/$ψ$ detection and the capability of this process to investigate the above physics opportunities with ECCE. △ Less

Submitted 21 July, 2022; originally announced July 2022.

Comments: 11 pages, 14 figures, 1 table

Design and Simulated Performance of Calorimetry Systems for the ECCE Detector at the Electron Ion Collider

Authors: F. Bock, N. Schmidt, P. K. Wang, N. Santiesteban, T. Horn, J. Huang, J. Lajoie, C. Munoz Camacho, J. K. Adkins, Y. Akiba, A. Albataineh, M. Amaryan, I. C. Arsene, C. Ayerbe Gayoso, J. Bae, X. Bai, M. D. Baker, M. Bashkanov, R. Bellwied, F. Benmokhtar, V. Berdnikov, J. C. Bernauer, W. Boeglin, M. Borysova, E. Brash , et al. (263 additional authors not shown)

Abstract: We describe the design and performance the calorimeter systems used in the ECCE detector design to achieve the overall performance specifications cost-effectively with careful consideration of appropriate technical and schedule risks. The calorimeter systems consist of three electromagnetic calorimeters, covering the combined pseudorapdity range from -3.7 to 3.8 and two hadronic calorimeters. Key… ▽ More We describe the design and performance the calorimeter systems used in the ECCE detector design to achieve the overall performance specifications cost-effectively with careful consideration of appropriate technical and schedule risks. The calorimeter systems consist of three electromagnetic calorimeters, covering the combined pseudorapdity range from -3.7 to 3.8 and two hadronic calorimeters. Key calorimeter performances which include energy and position resolutions, reconstruction efficiency, and particle identification will be presented. △ Less

Submitted 19 July, 2022; originally announced July 2022.

Comments: 19 pages, 22 figures, 5 tables

Variable thermal transport in black, blue, and violet phosphorene from extensive atomistic simulations with a neuroevolution potential

Authors: Penghua Ying, Ting Liang, Ke Xu, Jin Zhang, Jianbin Xu, Jianyang Wu, Zheyong Fan, Tapio Ala-Nissila, Zheng Zhong

Abstract: Phosphorus has diverse chemical bonds and even in its two-dimensional form there are three stable allotropes: black phosphorene (Black-P), blue phosphorene (Blue-P), and violet phosphorene (Violet-P). Due to the complexity of these structures, no efficient and accurate classical interatomic potential has been developed for them. In this paper, we develop an efficient machine-learned neuroevolution… ▽ More Phosphorus has diverse chemical bonds and even in its two-dimensional form there are three stable allotropes: black phosphorene (Black-P), blue phosphorene (Blue-P), and violet phosphorene (Violet-P). Due to the complexity of these structures, no efficient and accurate classical interatomic potential has been developed for them. In this paper, we develop an efficient machine-learned neuroevolution potential model for these allotropes and apply it to study thermal transport in them via extensive molecular dynamics (MD) simulations. Based on the homogeneous nonequilibrium MD method, the thermal conductivities are predicted to be $12.5 \pm 0.2$ (Black-P in armchair direction), $78.4 \pm 0.4$ (Black-P in zigzag direction), $128 \pm 3$ (Blue-P), and $2.36 \pm 0.05$ (Violet-P) $\mathrm{Wm^{-1}K^{-1}}$. The underlying reasons for the significantly different thermal conductivity values in these allotropes are unraveled through spectral decomposition, phonon eigenmodes, and phonon participation ratio. Under external tensile strain, the thermal conductivity in black-P and violet-P are finite, while that in blue-P appears unbounded due to the linearization of the flexural phonon dispersion that increases the phonon mean free paths in the zero-frequency limit. △ Less

Submitted 15 June, 2022; originally announced June 2022.

Comments: 10 pages, 10 figures, code and data available

Journal ref: International Journal of Heat and Mass Transfer, 202, 123681(2023)

AI-assisted Optimization of the ECCE Tracking System at the Electron Ion Collider

Authors: C. Fanelli, Z. Papandreou, K. Suresh, J. K. Adkins, Y. Akiba, A. Albataineh, M. Amaryan, I. C. Arsene, C. Ayerbe Gayoso, J. Bae, X. Bai, M. D. Baker, M. Bashkanov, R. Bellwied, F. Benmokhtar, V. Berdnikov, J. C. Bernauer, F. Bock, W. Boeglin, M. Borysova, E. Brash, P. Brindza, W. J. Briscoe, M. Brooks, S. Bueltmann , et al. (258 additional authors not shown)

Abstract: The Electron-Ion Collider (EIC) is a cutting-edge accelerator facility that will study the nature of the "glue" that binds the building blocks of the visible matter in the universe. The proposed experiment will be realized at Brookhaven National Laboratory in approximately 10 years from now, with detector design and R&D currently ongoing. Notably, EIC is one of the first large-scale facilities to… ▽ More The Electron-Ion Collider (EIC) is a cutting-edge accelerator facility that will study the nature of the "glue" that binds the building blocks of the visible matter in the universe. The proposed experiment will be realized at Brookhaven National Laboratory in approximately 10 years from now, with detector design and R&D currently ongoing. Notably, EIC is one of the first large-scale facilities to leverage Artificial Intelligence (AI) already starting from the design and R&D phases. The EIC Comprehensive Chromodynamics Experiment (ECCE) is a consortium that proposed a detector design based on a 1.5T solenoid. The EIC detector proposal review concluded that the ECCE design will serve as the reference design for an EIC detector. Herein we describe a comprehensive optimization of the ECCE tracker using AI. The work required a complex parametrization of the simulated detector system. Our approach dealt with an optimization problem in a multidimensional design space driven by multiple objectives that encode the detector performance, while satisfying several mechanical constraints. We describe our strategy and show results obtained for the ECCE tracking system. The AI-assisted design is agnostic to the simulation framework and can be extended to other sub-detectors or to a system of sub-detectors to further optimize the performance of the EIC detector. △ Less

Submitted 19 May, 2022; v1 submitted 18 May, 2022; originally announced May 2022.

Comments: 16 pages, 18 figures, 2 appendices, 3 tables

Scientific Computing Plan for the ECCE Detector at the Electron Ion Collider

Authors: J. C. Bernauer, C. T. Dean, C. Fanelli, J. Huang, K. Kauder, D. Lawrence, J. D. Osborn, C. Paus, J. K. Adkins, Y. Akiba, A. Albataineh, M. Amaryan, I. C. Arsene, C. Ayerbe Gayoso, J. Bae, X. Bai, M. D. Baker, M. Bashkanov, R. Bellwied, F. Benmokhtar, V. Berdnikov, F. Bock, W. Boeglin, M. Borysova, E. Brash , et al. (256 additional authors not shown)

Abstract: The Electron Ion Collider (EIC) is the next generation of precision QCD facility to be built at Brookhaven National Laboratory in conjunction with Thomas Jefferson National Laboratory. There are a significant number of software and computing challenges that need to be overcome at the EIC. During the EIC detector proposal development period, the ECCE consortium began identifying and addressing thes… ▽ More The Electron Ion Collider (EIC) is the next generation of precision QCD facility to be built at Brookhaven National Laboratory in conjunction with Thomas Jefferson National Laboratory. There are a significant number of software and computing challenges that need to be overcome at the EIC. During the EIC detector proposal development period, the ECCE consortium began identifying and addressing these challenges in the process of producing a complete detector proposal based upon detailed detector and physics simulations. In this document, the software and computing efforts to produce this proposal are discussed; furthermore, the computing and software model and resources required for the future of ECCE are described. △ Less

Submitted 17 May, 2022; originally announced May 2022.

Journal ref: NIMA 1047, 167859 (2023)

Recent neutron focusing experiments using polycapillary lens in CSNS

Authors: Kai Pan, Xue-Peng Sun, Tian-Cheng Yi, Song-Ling Wang, Jian-Rong Zhou, Mo Zhou, Xing-Fen Jiang, Bin Zhou, Bo-Wen Jiang, Tian-Xi Sun, Tian-Jiao Liang, Zhi-Guo Liu

Abstract: Higher neutron current densities can provide convenience for neutron experiments. Using neutron optical focusing elements, large flux beams transported to sample can be achieved. As one kind of focusing elements, polycapillary lens is very suitable for neutron absorption experiments such as PGAA and NDP technology. At present, a Neutron Physics and Application Spectrometer was in construction in C… ▽ More Higher neutron current densities can provide convenience for neutron experiments. Using neutron optical focusing elements, large flux beams transported to sample can be achieved. As one kind of focusing elements, polycapillary lens is very suitable for neutron absorption experiments such as PGAA and NDP technology. At present, a Neutron Physics and Application Spectrometer was in construction in CSNS, which is the first pulsed neutron source in China. To provide some suggestions and ideas for the following design of enhanced PGAA or NDP instrument with polycapillary lens in CSNS, a first neutron focusing experiment using polycapillary lens in CSNS was conducted. For 0.5-12.6 polychromatic beam, a focal spot with FWHM of 800 was obtained. As the value of wavelength increased, the beam size, transmission efficiency and gain increased. For cold neutron, the gain maintained in a level of 7. △ Less

Submitted 30 March, 2022; v1 submitted 17 March, 2022; originally announced March 2022.

Comments: 12 pages, 13 figures, 12 references

Abnormally High Thermal Conductivity in Fivefold Twinned Diamond Nanowires

Authors: Ting Liang, Ke Xu, Meng Han, Yimin Yao, Zhisen Zhang, Xiaoliang Zeng, Jianbin Xu, Jianyang Wu

Abstract: Fivefold twins (5FTs), discovered nearly 200 years ago, are a common multiply twinned structure that usually dramatically deteriorate the thermal transport properties of nanomaterials. Here, we report the anomalous thermal conductivity ($κ$) in a novel fivefold twinned diamond nanowires (5FT-DNWs). The $κ$ of 5FT-DNWs is effectively enhanced by the defects of 5FT boundaries, and non-monotonically… ▽ More Fivefold twins (5FTs), discovered nearly 200 years ago, are a common multiply twinned structure that usually dramatically deteriorate the thermal transport properties of nanomaterials. Here, we report the anomalous thermal conductivity ($κ$) in a novel fivefold twinned diamond nanowires (5FT-DNWs). The $κ$ of 5FT-DNWs is effectively enhanced by the defects of 5FT boundaries, and non-monotonically changes with the cross-sectional area ($\textit{S}$). Above the critical $\textit{S}$ = 7.1 nm$^{2}$, 5FT-DNWs show a constant value of $κ$, whereas below it, there appears a sharp increase in $κ$ with decreasing $\textit{S}$. More importantly, 5FT-DNWs with minimal $\textit{S}$ show a superior $κ$ over the bulk diamond. By confirming the Normal-process-dominated scattering event, it is demonstrated that the phonon hydrodynamic behavior plays a determinative role in abnormally high $κ$ of 5FT-DNWs with small $\textit{S}$. The super-transported phonon hydrodynamic phenomenon unveiled in the twinned diamond nanowires may provide a new route for pursuing highly thermally conductive nanomaterials. △ Less

Submitted 12 January, 2022; v1 submitted 27 December, 2021; originally announced December 2021.

Comments: 39 pages, 15 figures. Keywords: Fivefold twins; Diamond nanowires; Thermal conductivity; Normal scattering event; Phonon hydrodynamics

High-Performance Permanent Magnet Array Design by a Fast Genetic Algorithm (GA)-based Optimization for Low-Field Portable MRI

Authors: Ting-Ou Liang, Yan Hao Koh, Tie Qiu, Erping Li, Wenwei Yu, Shao Ying Huang

Abstract: A permanent magnet array (PMA) is a preferred source of magnetic field for body-part-dedicated low-field (<0.5 T) portable magnetic resonance imaging (MRI) because it has a small footprint, no power consumption, and no need for a cooling system. The current popular PMA is limited by the transversal field below 100 mT, where advanced technologies developed for the long-bore MRI systems (e.g., multi… ▽ More A permanent magnet array (PMA) is a preferred source of magnetic field for body-part-dedicated low-field (<0.5 T) portable magnetic resonance imaging (MRI) because it has a small footprint, no power consumption, and no need for a cooling system. The current popular PMA is limited by the transversal field below 100 mT, where advanced technologies developed for the long-bore MRI systems (e.g., multi-channel techniques) cannot be applied. In this paper, a sparse high-performance PMA is proposed based on inward-outward ring pairs and using magnet blocks that can be bought off the shelf, targeting on portable head imaging. Through a fast genetic algorithm (GA)-based optimization, the proposed PMA has a longitudinal magnetic field with an average field strength of 111.40 mT and a monotonic field pattern with inhomogeneity of 10.57 mT (an RF bandwidth of <10%) within a Field of View (FoV) of 20 cm in diameter and 4.5 cm in length. The resulting field was validated using analytic calculations and numerical simulations. The encoding capability of the designed PMA was examined by checking the quality of the simulated reconstructed images. The proposed field outperforms a linear pattern for encoding. The PMA is 57.91 cm wide, 38 cm long, has a 5-gauss range of 87x87x104 cm^3, allowing an operation in a small space. It weights 126.08kg, comprising of a stationary main array that supplies a strong homogeneous field, and a light rotatable sub-gradient-array (5.12kg) that supplies a monotonic field for signal encoding. It has a magnetic field generation efficiency of 0.88mT/kg, the highest among sparse PMAs that offer a monotonic field pattern. The force experienced by each magnet was calculated to validate the feasibility of physical implementation. The proposed PMA can be a promising alternative to supply the main and gradient fields combined for dedicated portable MRI. △ Less

Submitted 23 September, 2021; originally announced September 2021.