Showing 1–31 of 31 results for author: Tao, S

Broadband terahertz comb with sub-Hz comb linewidth

Authors: Min Li, Yu Xia, Yuan Chen, Sinan Tao, Mingyang He, Kun Huang, Hua Li, Ming Yan, Heping Zeng

Abstract: Terahertz (THz) frequency combs are increasingly essential for spectroscopy, metrology, and quantum science. However, generating a dense array of evenly spaced ultra-narrow THz comb lines is challenging. Here, we demonstrate broadband THz comb generation using a photoconductive antenna that transfers a noise-suppressed near-infrared electro-optical (EO) comb into the THz domain. Our noise-suppress… ▽ More Terahertz (THz) frequency combs are increasingly essential for spectroscopy, metrology, and quantum science. However, generating a dense array of evenly spaced ultra-narrow THz comb lines is challenging. Here, we demonstrate broadband THz comb generation using a photoconductive antenna that transfers a noise-suppressed near-infrared electro-optical (EO) comb into the THz domain. Our noise-suppression strategy, leveraging soliton self-frequency shift and spectral filtering, effectively suppresses EO comb phase noise without requiring active stabilization. The resulting THz comb exhibits broad spectral coverage (0.05-4 THz), narrow comb linewidths (0.3 Hz at the Fourier-transform limit), and excellent frequency stability (8.6*10^-14 at 1-second integration). We further demonstrate asynchronous THz time-domain spectroscopy, resolving ~36,000 comb lines with 50 MHz spacing. Crucially, the inherent frequency agility of the EO comb enables rapid and wide-range tuning of the THz comb line spacing. These attributes position our THz comb as a versatile tool for high-resolution molecular spectroscopy and precision THz metrology. △ Less

Submitted 6 February, 2026; originally announced February 2026.

Comments: 20 pages, 4 figures

Accelerated Inorganic Electrides Discovery by Generative Models and Hierarchical Screening

Authors: Shuo Tao, Qiang Zhu

Abstract: Electrides are exotic compounds in which excess electrons occupy interstitial regions of the crystal lattice and serve as anions, exhibiting exceptional properties such as low work function, high electron mobility, and strong catalytic activity. Although they show promise for diverse applications, identifying new electrides remains challenging due to the difficulty of achieving energetically favor… ▽ More Electrides are exotic compounds in which excess electrons occupy interstitial regions of the crystal lattice and serve as anions, exhibiting exceptional properties such as low work function, high electron mobility, and strong catalytic activity. Although they show promise for diverse applications, identifying new electrides remains challenging due to the difficulty of achieving energetically favorable electron localization in crystal cavities. Here, we present an accelerated materials discovery framework that combines physical principles, diffusion-based materials generation with hierarchical thermodynamic and electronic structure screening. Using this workflow, we systematically explored 1,510 binary and 6,654 ternary chemical compositions containing excess valence electrons from electropositive alkaline, alkaline-earth, and early transition metals, and then filtered them with a high throughput validation on both thermodynamical stability and electronic structure analysis. As a result, we have identified 264 new electron rich compounds within 0.05 eV/atom above the convex hull at the density functional theory (DFT) level, including 13 thermodynamically stable electrides. Our approach demonstrates a generalizable strategy for targeted materials discovery in a vast chemical space. △ Less

Submitted 29 June, 2026; v1 submitted 28 January, 2026; originally announced January 2026.

Comments: 11 pages, 5 figures

Chemical Origin of Exciton Self-trapping in Cs$_3$Cu$_2$X$_5$ Cesium Copper Halides

Authors: Zijin Wu, Shuxia Tao, Geert Brocks

Abstract: Copper halides Cs3Cu2X5 (X=Cl, Br, I) are promising materials for optoelectronic applications due to their high photoluminescence efficiency, stability, and large Stokes shifts. In this work, we uncover the chemical bonding origin of the Stokes shift in these materials using density functional theory calculations. Upon excitation, one [Cu2X5]3- anion undergoes sizeable local distortions, driven by… ▽ More Copper halides Cs3Cu2X5 (X=Cl, Br, I) are promising materials for optoelectronic applications due to their high photoluminescence efficiency, stability, and large Stokes shifts. In this work, we uncover the chemical bonding origin of the Stokes shift in these materials using density functional theory calculations. Upon excitation, one [Cu2X5]3- anion undergoes sizeable local distortions, driven by Cu-X and Cu-Cu bond formation. These structural changes coincide with the formation of a self-trapped exciton, where particularly the hole is strongly localized on one anion. Analysis of the electronic structure and bonding reveals reduced antibonding interactions and enhanced bonding character in the excited state, stabilizing the distorted geometry. Our results establish a direct link between orbital-specific hole localization and bond formation. It provides a fundamental understanding of the excitation mechanism in Cs3Cu2X5 and offers design principles to tune optical properties in 0D copper halides. △ Less

Submitted 16 January, 2026; originally announced January 2026.

Impact of Metal Cation on Chiral Properties of 2D Halide Perovskites

Authors: Mike Pols, Helena Boom, Geert Brocks, Sofía Calero, Shuxia Tao

Abstract: Chiral two-dimensional (2D) halide perovskites are formed by embedding chiral organic cations in a perovskite crystal structure. The chirality arises from distortions of the 2D metal halide layers induced by the packing of these organic cations. Sn-based octahedra spontaneously distort, but it remains unclear whether this intrinsic structural instability enhances the chirality. We investigate the… ▽ More Chiral two-dimensional (2D) halide perovskites are formed by embedding chiral organic cations in a perovskite crystal structure. The chirality arises from distortions of the 2D metal halide layers induced by the packing of these organic cations. Sn-based octahedra spontaneously distort, but it remains unclear whether this intrinsic structural instability enhances the chirality. We investigate the effect of the metal cation on structural and phonon chirality in MBA$_{2}$Sn$_{\mathrm{x}}$Pb$_{1-\mathrm{x}}$I$_{4}$ (x = 0, 1/2, and 1). Incorporating Sn does distort the metal halide octehedra, yet it only has a minor impact on the structural chirality. In contrast, the phonons in MBA$_{2}$SnI$_{4}$ are substantially more chiral than in MBA$_{2}$PbI$_{4}$, especially the in-plane acoustic modes. However, this enhanced phonon chirality does not lead to a generation of a larger angular momentum under a temperature gradient, because the contributions of different chiral phonons tend to compensate one another. △ Less

Submitted 7 November, 2025; v1 submitted 31 July, 2025; originally announced August 2025.

Comments: 19 pages, 6 figures

Journal ref: Phys. Rev. Mater. 9, 113601 (2025)

Vertical Profile Corrected Satellite NH3 Retrievals Enable Accurate Agricultural Emission Characterization in China

Authors: Qiming Liu, Yilin Chen, Peng Xu, Huizhong Shen, Zelin Mai, Ruixin Zhang, Peng Guo, Zhiyu Zheng, Tiancheng Luan, Shu Tao

Abstract: Ammonia (NH3) emissions significantly contribute to atmospheric pollution, yet discrepancies exist between bottom-up inventories and satellite-constrained top-down estimates, with the latter typically one-third higher. This study quantifies how assumptions about NH3 vertical distribution in satellite retrievals contribute to this gap. By implementing spatially and temporally resolved vertical prof… ▽ More Ammonia (NH3) emissions significantly contribute to atmospheric pollution, yet discrepancies exist between bottom-up inventories and satellite-constrained top-down estimates, with the latter typically one-third higher. This study quantifies how assumptions about NH3 vertical distribution in satellite retrievals contribute to this gap. By implementing spatially and temporally resolved vertical profiles from the Community Multiscale Air Quality model to replace steep gradients in Infrared Atmospheric Sounding Interferometer (IASI) retrievals, we reduced satellite-model column discrepancies from 71% to 18%. We subsequently constrained NH3 emissions across China using a hybrid inversion framework combining iterative mass balance and four-dimensional variational methods. Our posterior emissions showed agreement with the a priori inventory (7.9% lower), suggesting that discrepancies between inventory approaches were amplified by overestimation of near-surface NH3 in baseline satellite retrievals, potentially causing a 43% overestimation of growing season emissions. Evaluation against ground-based measurements confirmed improved model performance, with normalized root-mean-square error reductions of 1-27% across six months. These findings demonstrate that accurate representation of vertical profiles in satellite retrievals is critical for robust NH3 emission estimates and can reconcile the long-standing discrepancy between bottom-up and top-down approaches. Our hybrid inversion methodology, leveraging profile-corrected satellite data, reveals that China's NH3 emissions exhibit greater spatial concentration than previously recognized, reflecting agricultural intensification. This advancement enables timely and accurate characterization of rapidly changing agricultural emission patterns, critical for implementing effective nitrogen pollution control measures. △ Less

Submitted 26 May, 2025; originally announced May 2025.

Comments: 44 pages, 14 figures, 1 table. The main text spans pages 1-28 and includes 5 figures. The supplementary information (SI) spans pages 29-44, containing 9 figures and 1 table

PulseBat: A field-accessible dataset for second-life battery diagnostics from realistic histories using multidimensional rapid pulse test

Authors: Shengyu Tao, Guangyuan Ma, Huixiong Yang, Minyan Lu, Guodan Wei, Guangmin Zhou, Xuan Zhang

Abstract: As electric vehicles (EVs) approach the end of their operational life, their batteries retain significant economic value and present promising opportunities for second-life use and material recycling. This is particularly compelling for Global South and other underdeveloped regions, where reliable energy storage is vital to addressing critical challenges posed by weak and even nonexistent power gr… ▽ More As electric vehicles (EVs) approach the end of their operational life, their batteries retain significant economic value and present promising opportunities for second-life use and material recycling. This is particularly compelling for Global South and other underdeveloped regions, where reliable energy storage is vital to addressing critical challenges posed by weak and even nonexistent power grid and energy infrastructures. However, despite this potential, widespread adoption has been hindered by critical uncertainties surrounding the technical performance, safety, and recertification of second-life batteries. In cases where they have been redeployed, mismatches between estimated and actual performance often render batteries technically unsuitable or hazardous, turning them into liabilities for communities they were intended to benefit. This considerable misalignment exacerbates energy access disparities and undermines the broader vision of energy justice, highlighting an urgent need for robust and scalable solutions to unlock the potential. In the PulseBat Dataset, the authors tested 464 retired lithium-ion batteries, covering 3 cathode material types, 6 historical usages, 3 physical formats, and 6 capacity designs. The pulse test experiments were performed repeatedly for each second-life battery with 10 pulse width, 10 pulse magnitude, multiple state-of-charge, and state-of-health conditions, e.g., from 0.37 to 1.03. The PulseBat Dataset recorded these test conditions and the voltage response as well as the temperature signals that were subject to the injected pulse current, which could be used as a valuable data resource for critical diagnostics tasks such as state-of-charge estimation, state-of-health estimation, cathode material type identification, open-circuit voltage reconstruction, thermal management, and beyond. △ Less

Submitted 24 February, 2025; originally announced February 2025.

Comments: Extended data descriptor of Nat Commun 15, 10154 (2024), https://doi.org/10.1038/s41467-024-54454-0

ACM Class: J.2; I.2.1

Journal ref: Nat Commun 15, 10154 (2024)

Lead-free Hybrid Perovskite: An Efficient Room Temperature Spin Generator via Large Interfacial Rashba effect

Authors: Lei Han, Qian Wang, Ying Lu, Sheng Tao, Wenxuan Zhu, Xiaoyu Feng, Shixuan Liang, Hua Bai, Chong Chen, Kai Wang, Zhou Yang, Xiaolong Fan, Cheng Song, Feng Pan

Abstract: Two-dimensional (2D) hybrid organic-inorganic perovskite (HOIP) demonstates great potential for developing flexible and wearable spintronic devices, by serving as spin sources via the bulk Rashba effect (BRE). However, the practical application of BRE in 2D HOIP faces huge challenges, particularly due to the toxicity of lead, which is crucial for achieving large spin-orbit coupling, and the restri… ▽ More Two-dimensional (2D) hybrid organic-inorganic perovskite (HOIP) demonstates great potential for developing flexible and wearable spintronic devices, by serving as spin sources via the bulk Rashba effect (BRE). However, the practical application of BRE in 2D HOIP faces huge challenges, particularly due to the toxicity of lead, which is crucial for achieving large spin-orbit coupling, and the restrictions in 2D HOIP candidates to meet specific symmetry-breaking requirements. To overcome these obstacles, we design a strategy to exploit the interfacial Rashba effect (IRE) of lead-free 2D HOIP (C6H5CH2CH2NH3)2CuCl4 (PEA-CuCl), manifesting as an efficient spin generator at room temperature. IRE of PEA-CuCl originates from the large orbital hybridization at the interface between PEA-CuCl and adjacent ferromagnetic layers. Spin-torque ferromagnetic resonance measurements further quantify a large Rashba effective field of 14.04 Oe per 10^11 A m-2, surpassing those of lead-based HOIP and traditional all-inorganic heterojunctions with noble metals. Our lead-free 2D HOIP PEA-CuCl, which harnesses large IRE for spin generation, is efficient, nontoxic, and economic, offering huge promise for future flexible and wearable spintronic devices. △ Less

Submitted 24 October, 2024; originally announced October 2024.

A Flat Plasmonic Biosensing Interface on Optical Fiber End-Facet via SPP-MIM Hybridization

Authors: Chenjia He, Xiaqing Sun, Hao Zhong, Qingfeng Meng, Xuetong Zhou, Sihang Liu, Li Zheng, Xiangyang Kong, Shengfu Chen, Shengce Tao, Tian Yang

Abstract: We found that the specific dispersion of metal-insulator-metal (MIM) waveguide allows the hybridization of surface plasmon polaritons (SPPs) and the waveguide, which is not possible with dielectric waveguides. The SPP-MIM hybridization structure forms such a meta-film that integrates the previously incompatible respective merits of SPR and LSPR, including flat interfaces, high sensitivities, short… ▽ More We found that the specific dispersion of metal-insulator-metal (MIM) waveguide allows the hybridization of surface plasmon polaritons (SPPs) and the waveguide, which is not possible with dielectric waveguides. The SPP-MIM hybridization structure forms such a meta-film that integrates the previously incompatible respective merits of SPR and LSPR, including flat interfaces, high sensitivities, short evanescent fields and easy coupling with confined light. On the other hand, to achieve stable and reproducible performance is one of the greatest unresolved challenges for the development of nanophotonic biosensors. We point out that the key is to obtain well-controlled biomolecular behaviors using simple physical interfaces, for which the SPP-MIM meta-film provides a capable solution. We embed the SPP-MIM meta-film with a plasmonic crystal cavity and integrate it on a single-mode fiber's end-facet to detect biomolecular interactions. This device demonstrates highly reproducible sensorgrams and convincing detection of biotinylated proteins at down to 30 fM, with the sensorgrams following the Langmuir model. By unprecedentedly having both high sensitivity and high reproducibility, our device proposal provides a comprehensive solution for optical fiber-tip plasmonic devices to turn into a useful industrial biosensing technology. △ Less

Submitted 19 October, 2024; originally announced October 2024.

Comments: article + supplementary information

Thorium doped strontium fluoride crystal: a unique candidate for solid nuclear optical clock material

Authors: Qiaorui Gong, Shanming Li, Shulong Zhang, Siliang Tao, Guoliang Deng, Peixiong Zhang, Chengchun Zhao, Yin Hang, Shining Zhu, Longsheng Ma

Abstract: We report a candidate with unique advantages in the cultivation of solid-state nuclear clock material, Th:SrF2 crystal. It not only has a segregation coefficient close to 1, which can achieve highly efficient and uniform doping of Th, but also ensures a high transmittance (~69% at 150 nm) while achieving extremely high doping concentration (232Th>6*10^20 cm^(-3). In addition, SrF2 crystal will not… ▽ More We report a candidate with unique advantages in the cultivation of solid-state nuclear clock material, Th:SrF2 crystal. It not only has a segregation coefficient close to 1, which can achieve highly efficient and uniform doping of Th, but also ensures a high transmittance (~69% at 150 nm) while achieving extremely high doping concentration (232Th>6*10^20 cm^(-3). In addition, SrF2 crystal will not be irradiated-colored under strong α radiation like CaF2 crystal, Th:SrF2 crystal is expected to fully unleash its high concentration doping characteristics while ensuring its transmission performance in nuclear transition band not be severely affected by 229Th radiation damage. △ Less

Submitted 3 July, 2024; originally announced July 2024.

Machine Learning-Assisted Sustainable Remanufacturing, Reusing and Recycling for Lithium-ion Batteries

Authors: Shengyu Tao

Abstract: The sustainable utilization of lithium-ion batteries (LIBs) is crucial to the global energy transition and carbon neutrality, yet data scarcity and heterogeneity remain major barriers across remanufacturing, reusing, and recycling. This dissertation develops a machine learning assisted framework to address these challenges throughout the battery lifecycle. A physics informed quality control model… ▽ More The sustainable utilization of lithium-ion batteries (LIBs) is crucial to the global energy transition and carbon neutrality, yet data scarcity and heterogeneity remain major barriers across remanufacturing, reusing, and recycling. This dissertation develops a machine learning assisted framework to address these challenges throughout the battery lifecycle. A physics informed quality control model predicts long-term degradation from limited early-cycle data, while a generative learning based residual value assessment method enables rapid and accurate evaluation of retired batteries under random conditions. A federated learning strategy achieves privacy preserving and high precision cathode material sorting, supporting efficient recycling. Furthermore, a unified diagnostics and prognostics framework based on correlation alignment enhances adaptability across tasks such as state of health estimation, state of charge estimation, and remaining useful life prediction under varied testing protocols. Collectively, these contributions advance sustainable battery management by integrating physics, data generation, privacy preserving collaboration, and adaptive learning, offering methodological innovations to promote circular economy and global carbon neutrality. △ Less

Submitted 25 September, 2025; v1 submitted 31 May, 2024; originally announced June 2024.

Comments: This is a PhD thesis from Dr. Shengyu Tao at Tinsghua University and University of California at Berkeley

ACM Class: J.2; G.3

Acoustic diagnostics of femtosecond laser filamentation

Authors: Binpeng Shang, Nan Zhang, Pengfei Qi, Shishi Tao, Lie Lin, Weiwei Liu

Abstract: The promising application of femtosecond laser filamentation in atmospheric remote sensing brings imperative demand for diagnosing the spatiotemporal dynamics of filamentation. Acoustic emission (AE) during filamentation opens a door to give the insight into the dynamic evolution of filaments in air. In particular, the frequency features of the acoustic emission provide relevant information on the… ▽ More The promising application of femtosecond laser filamentation in atmospheric remote sensing brings imperative demand for diagnosing the spatiotemporal dynamics of filamentation. Acoustic emission (AE) during filamentation opens a door to give the insight into the dynamic evolution of filaments in air. In particular, the frequency features of the acoustic emission provide relevant information on the conversion of laser energy to acoustic energy. Here, the acoustic emission of femtosecond laser filament manipulated by energy and the focal lengths was measured quantitatively by a broadband microphone, and the acoustic parameters were compared and analyzed. Our results showed that the acoustic power presents a squared dependence on the laser energy and the bandwidth of the acoustic spectrum showed a significant positive correlation with laser energy deposition. It was found that the spectrum of the acoustic pulse emitted from the middle of the filament has a larger bandwidth compared to those emitted from the ends of the filament and the spectrum of the acoustic pulse is also an indicator of the filament intensity distribution. These findings are helpful for studying the plasma filament properties and complex dynamic processes through acoustic parameters and allow the optimization of remote applications. △ Less

Submitted 10 July, 2023; originally announced July 2023.

Comments: 8 pages,5 figures

MSC Class: 78A60 ACM Class: J.2.9

Femtosecond Laser Filamentation in Atmospheric Turbulence

Authors: Jiewei Guo, Lu Sun, Yuezheng Wang, Jiayun Xue, Zhi Zhang, Haiyi Liu, Shishi Tao, Pengfei Qi, Lie Lin, Weiwei Liu

Abstract: The effects of turbulence intensity and turbulence region on the distribution of femtosecond laser filaments are experimentally elaborated. Through the ultrasonic signals emitted by the filaments, and it is observed that increasing turbulence intensity and expanding turbulence active region cause an increase in the start position of the filament, and a decrease in filament length, which can be wel… ▽ More The effects of turbulence intensity and turbulence region on the distribution of femtosecond laser filaments are experimentally elaborated. Through the ultrasonic signals emitted by the filaments, and it is observed that increasing turbulence intensity and expanding turbulence active region cause an increase in the start position of the filament, and a decrease in filament length, which can be well explained by the theoretical calculation. It is also observed that the random perturbation of the air refractive index caused by atmospheric turbulence expanded the spot size of the filament. Additionally, when turbulence intensity reaches , multiple filaments are formed. Furthermore, the standard deviation of the transverse displacement of filament is found to be proportional to the square root of turbulent structure constant under the experimental turbulence parameters in this paper. These results contribute to the study of femtosecond laser propagation mechanisms in complex atmospheric turbulence conditions △ Less

Submitted 26 June, 2023; originally announced June 2023.

Comments: 9 pages, 4 figures

Coupled air lasing gain and Mie scattering loss: aerosol effect in filament-induced plasma spectroscopy

Authors: Jiayun Xue, Zhi Zhang, Yuezheng Wang, Binpeng Shang, Jiewei Guo, Shishi Tao, Nan Zhang, Lanjunguo, Pengfei Qi, Lie Lin, Weiwei Liu

Abstract: Femtosecond laser filament-induced plasma spectroscopy (FIPS) demonstrates great potentials in the remote sensing for identifying atmospheric pollutant molecules. Due to the widespread aerosols in atmosphere, the remote detection based on FIPS would be affected from both the excitation and the propagation of fingerprint fluorescence, which still remain elusive. Here the physical model of filament-… ▽ More Femtosecond laser filament-induced plasma spectroscopy (FIPS) demonstrates great potentials in the remote sensing for identifying atmospheric pollutant molecules. Due to the widespread aerosols in atmosphere, the remote detection based on FIPS would be affected from both the excitation and the propagation of fingerprint fluorescence, which still remain elusive. Here the physical model of filament-induced aerosol fluorescence is established to reveal the combined effect of Mie scattering and amplification spontaneous emission, which is then proved by the experimental results, the dependence of the backward fluorescence on the interaction length between filament and aerosols. These findings provide an insight into the complicated aerosol effect in the overall physical process of FIPS including propagation, excitation and emission, paving the way to its practical application in atmospheric remote sensing. △ Less

Submitted 22 June, 2023; originally announced June 2023.

Comments: 7 pages, 4 figures

Filament based Ionizing Radiation Sensing Technology

Authors: Weiwei Liu, Jiewei Guo, Nan Zhang, Lu Sun, Haiyi Liu, Shihi Tao, Yuezheng Wang, Binpeng Shang, Pengfei Qi, Lie Lin

Abstract: Accidental exposure to overdose ionizing radiation will inevitably lead to severe biological damage, thus detecting and localizing radiation is essential. Traditional measurement techniques are generally restricted to the limited detection range of few centimeters, posing a great risk to operators. The potential in remote sensing makes femtosecond laser filament technology great candidates for con… ▽ More Accidental exposure to overdose ionizing radiation will inevitably lead to severe biological damage, thus detecting and localizing radiation is essential. Traditional measurement techniques are generally restricted to the limited detection range of few centimeters, posing a great risk to operators. The potential in remote sensing makes femtosecond laser filament technology great candidates for constructively address this challenge. Here we propose a novel filament-based ionizing radiation sensing technology (FIRST), and clarify the interaction mechanism between filaments and ionizing radiation. Specifically, it is demonstrated that the energetic electrons and ions produced by α radiation in air can be effectively accelerated within the filament, serving as seed electrons, which will markedly enhance nitrogen fluorescence. The extended nitrogen fluorescence lifetime of ~1 ns is also observed. These findings provide insights into the intricate interaction among ultra-strong light filed, plasma and energetic particle beam, and pave the way for the remote sensing of ionizing radiation. △ Less

Submitted 9 June, 2023; originally announced June 2023.

Comments: 13 pages, 6 figures

The construction and characterization of MgO transmission dynodes

Authors: H. W. Chan, V. Prodanović, A. M. M. G. Theulings, S. Tao, J. Smedley, C. W. Hagen, P. M. Sarro, H. v. d. Graaf

Abstract: In this work we demonstrate that ultra-thin (5 and 15 nm) MgO transmission dynodes (tynodes) with sufficient high transmission electron yield (TEY) can be constructed. These tynodes act as electron amplification stages in a novel vacuum electron multiplier: the Timed Photon Counter (TiPC). The ultra-thin membranes with a diameter of 30 μm are arranged in a square 64-by-64-array. The TEY was determ… ▽ More In this work we demonstrate that ultra-thin (5 and 15 nm) MgO transmission dynodes (tynodes) with sufficient high transmission electron yield (TEY) can be constructed. These tynodes act as electron amplification stages in a novel vacuum electron multiplier: the Timed Photon Counter (TiPC). The ultra-thin membranes with a diameter of 30 μm are arranged in a square 64-by-64-array. The TEY was determined with a scanning electron microscope (SEM) using primary electrons with primary energies of 0.75 - 5 keV. The method allow us to make a TEY map of the surface while simultaneously imaging the surface. The TEY of individual membranes can be extracted from the TEY map. An averaged maximum TEY of 4.6 +/- 0.2 was achieved by using 1.35 keV primary electrons on a TiN/MgO bi-layer membrane with a layer thickness of 2 and 5 nm, respectively. The TiN/MgO membrane with a layer thickness of 2 and 15 nm, respectively, has a maximum TEY of 3.3 +/- 0.1 (2.35 keV). Furthermore, the effect of the electric field strength on transmission (secondary) electron emission was investigated by placing the emission surface of a tynode in close proximity to a planar collector. By increasing the electric potential between the tynode and the collector, from -50 V to -100 V, the averaged maximum TEY improved from 4.6 +/- 0.2 to 5.0 +/- 0.3 at a primary energy of 1.35 keV with an upper limit of 5.5 on one of the membranes. △ Less

Submitted 10 September, 2024; v1 submitted 19 April, 2023; originally announced April 2023.

Journal ref: JINST 18 P06028 (2023)

Sub-ppb aerosol detection at a distance of 30 meters by millijoule femtosecond laser pulse filamentation in air

Authors: Jiewei Guo, Zhi Zhang, Nan Zhang, Binpeng Shang, Jiayun Xue, Yuezheng Wang, Shishi Tao, Bofu Xie, Lanjun Guo, Lie Lin, Weiwei Liu

Abstract: In this work, sub-ppb aerosol detection is achieved by femtosecond laser filament with a single pulse energy of 4 mJ at a distance of 30 m. A concave mirror with an open aperture of 41.4 cm is employed in an off-axis optical system to focus the femtosecond laser beam and collect the fluorescence of NaCl aerosol. The simulation and experimental results show that the astigmatism can be greatly reduc… ▽ More In this work, sub-ppb aerosol detection is achieved by femtosecond laser filament with a single pulse energy of 4 mJ at a distance of 30 m. A concave mirror with an open aperture of 41.4 cm is employed in an off-axis optical system to focus the femtosecond laser beam and collect the fluorescence of NaCl aerosol. The simulation and experimental results show that the astigmatism can be greatly reduced when femtosecond laser beam is incident non-symmetrically on the concave mirror. Compared with the case that femtosecond laser strikes at the center of the concave mirror, the intensity of the optical filament is increased by 69.5 times, and the detection of limit of sodium chloride aerosol is reduced by 86%, which is down to 0.32 ppb. The improved excitation scheme in this work utilizes the nonsymmetrical beam spot on the concave mirror to compensate the non-symmetry induced by the off-axis setup, reducing the astigmatism of the focusing laser beam and improving the aerosol's detection of limit. △ Less

Submitted 26 January, 2023; originally announced January 2023.

Generalization to the Natural Gradient Descent

Authors: Shaojun Dong, Fengyu Le, Meng Zhang, Si-Jing Tao, Chao Wang, Yong-Jian Han, Guo-Ping Guo

Abstract: Optimization problem, which is aimed at finding the global minimal value of a given cost function, is one of the central problem in science and engineering. Various numerical methods have been proposed to solve this problem, among which the Gradient Descent (GD) method is the most popular one due to its simplicity and efficiency. However, the GD method suffers from two main issues: the local minim… ▽ More Optimization problem, which is aimed at finding the global minimal value of a given cost function, is one of the central problem in science and engineering. Various numerical methods have been proposed to solve this problem, among which the Gradient Descent (GD) method is the most popular one due to its simplicity and efficiency. However, the GD method suffers from two main issues: the local minima and the slow convergence especially near the minima point. The Natural Gradient Descent(NGD), which has been proved as one of the most powerful method for various optimization problems in machine learning, tensor network, variational quantum algorithms and so on, supplies an efficient way to accelerate the convergence. Here, we give a unified method to extend the NGD method to a more general situation which keeps the fast convergence by looking for a more suitable metric through introducing a 'proper' reference Riemannian manifold. Our method generalizes the NDG, and may give more insight of the optimization methods. △ Less

Submitted 6 October, 2022; originally announced October 2022.

Vortex-induced Shear Polaritons

Authors: Shuwen Xue, Yali Zeng, Sicen Tao, Tao Hou, Shan Zhu, Chuanjie Hu, Huanyang Chen

Abstract: Hyperbolic shear polaritons (HShPs) emerge with widespread attention as a new class of polariton modes with broken symmetry due to shear lattices. In this letter, we find a new mechanism of generating HShPs. When utilizing vortex waves as excitation sources of hyperbolic materials without off-diagonal elements, HShPs will appear. In addition, this asymmetric HShPs can be recovered as symmetric mod… ▽ More Hyperbolic shear polaritons (HShPs) emerge with widespread attention as a new class of polariton modes with broken symmetry due to shear lattices. In this letter, we find a new mechanism of generating HShPs. When utilizing vortex waves as excitation sources of hyperbolic materials without off-diagonal elements, HShPs will appear. In addition, this asymmetric HShPs can be recovered as symmetric modes away from the source, with a critical transition mode between the left-skewed and right-skewed HShPs, via tuning the magnitude of the off-diagonal imaginary component and controlling the topological charge of vortex source. It is worth mentioning that we explore the influence of parity of topological charges on the field distribution and demonstrate these exotic phenomena from numerical and analytical perspectives. Our results will promote new opportunities for both HShPs and vortex waves, widening the horizon for various hyperbolic materials based on vortex sources and offering a new degree of freedom to control various kinds of polaritons. △ Less

Submitted 7 September, 2022; originally announced September 2022.

Efficient Extraction of Hot Carriers in Perovskite Quantum Dot through Building State Coupled Complex

Authors: Yusheng Li, Junke Jiang, Dandan Wang, Dong Liu, Shota Yajima, Hua Li, Akihito Fuchimoto, Hongshi Li, Guozheng Shi, Shuzi Hayase, Shuxia Tao, Jiangjian Shi, Qingbo Meng, Chao Ding, Qing Shen

Abstract: Utilizing hot carriers is the crucial approach for solar cell to exceed the thermodynamic detailed balance limit, yet effective extraction of hot carriers in absorber materials via most commonly used semiconductor acceptors has been a challenge in both materials and photophysics research for many years. Herein, we build series of CsPbI3 quantum dot and fullerene derivative systems to explore the d… ▽ More Utilizing hot carriers is the crucial approach for solar cell to exceed the thermodynamic detailed balance limit, yet effective extraction of hot carriers in absorber materials via most commonly used semiconductor acceptors has been a challenge in both materials and photophysics research for many years. Herein, we build series of CsPbI3 quantum dot and fullerene derivative systems to explore the decisive factors of this process and have for the first time realized efficient hot carrier extraction in these systems (maximum extraction efficiency ~ 84%). We find building the systems as state-coupled complexes creates new carrier transport channels at about 0.22 eV above CsPbI3 quantum dot bandgap, which facilitates highly efficient HC extraction. Our research directly visualizes the inner connection of molecule interaction and ultrafast hot carrier extraction. The knowledge and strategy gained here are of universal meaning, taking an important step forward true hot carrier photovoltaics. △ Less

Submitted 5 September, 2022; originally announced September 2022.

The International Linear Collider: Report to Snowmass 2021

Authors: Alexander Aryshev, Ties Behnke, Mikael Berggren, James Brau, Nathaniel Craig, Ayres Freitas, Frank Gaede, Spencer Gessner, Stefania Gori, Christophe Grojean, Sven Heinemeyer, Daniel Jeans, Katja Kruger, Benno List, Jenny List, Zhen Liu, Shinichiro Michizono, David W. Miller, Ian Moult, Hitoshi Murayama, Tatsuya Nakada, Emilio Nanni, Mihoko Nojiri, Hasan Padamsee, Maxim Perelstein , et al. (487 additional authors not shown)

Abstract: The International Linear Collider (ILC) is on the table now as a new global energy-frontier accelerator laboratory taking data in the 2030s. The ILC addresses key questions for our current understanding of particle physics. It is based on a proven accelerator technology. Its experiments will challenge the Standard Model of particle physics and will provide a new window to look beyond it. This docu… ▽ More The International Linear Collider (ILC) is on the table now as a new global energy-frontier accelerator laboratory taking data in the 2030s. The ILC addresses key questions for our current understanding of particle physics. It is based on a proven accelerator technology. Its experiments will challenge the Standard Model of particle physics and will provide a new window to look beyond it. This document brings the story of the ILC up to date, emphasizing its strong physics motivation, its readiness for construction, and the opportunity it presents to the US and the global particle physics community. △ Less

Submitted 16 January, 2023; v1 submitted 14 March, 2022; originally announced March 2022.

Comments: 356 pages, Large pdf file (40 MB) submitted to Snowmass 2021; v2 references to Snowmass contributions added, additional authors; v3 references added, some updates, additional authors

Report number: DESY-22-045, IFT--UAM/CSIC--22-028, KEK Preprint 2021-61, PNNL-SA-160884, SLAC-PUB-17662

Designing Ultra-Flat Bands in Twisted Bilayer Materials at Large Twist Angles without specific degree

Authors: Shengdan Tao, Xuanlin Zhang, Jiaojiao Zhu, Pimo He, Shengyuan A. Yang, Yunhao Lu, Su-Huai Wei

Abstract: Inter-twisted bilayers of two-dimensional (2D) materials can host low-energy flat bands, which offer opportunity to investigate many intriguing physics associated with strong electron correlations. In the existing systems, ultra-flat bands only emerge at very small twist angles less than a few degrees, which poses challenge for experimental study and practical applications. Here, we propose a new… ▽ More Inter-twisted bilayers of two-dimensional (2D) materials can host low-energy flat bands, which offer opportunity to investigate many intriguing physics associated with strong electron correlations. In the existing systems, ultra-flat bands only emerge at very small twist angles less than a few degrees, which poses challenge for experimental study and practical applications. Here, we propose a new design principle to achieve low-energy ultra-flat bands with increased twist angles. The key condition is to have a 2D semiconducting material with large energy difference of band edges controlled by stacking. We show that the interlayer interaction leads to defect-like states under twisting, which forms a flat band in the semiconducting band gap with dispersion strongly suppressed by the large energy barriers in the moire superlattice even for large twist angles. We explicitly demonstrate our idea in bilayer alpha-In2Se3 and bilayer InSe. For bilayer alpha-In2Se3, we show that a twist angle -13.2 degree is sufficient to achieve the band flatness comparable to that of twist bilayer graphene at the magic angle -1.1 degree. In addition, the appearance of ultra-flat bands here is not sensitive to the twist angle as in bilayer graphene, and it can be further controlled by external gate fields. Our finding provides a new route to achieve ultra-flat bands other than reducing the twist angles and paves the way towards engineering such flat bands in a large family of 2D materials. △ Less

Submitted 28 February, 2022; originally announced February 2022.

The Role of Solvents in the Formation of Methylammonium Lead Triiodide Perovskite

Authors: Junke Jiang, José Manuel Vicent-Luna, Shuxia Tao

Abstract: Metal halide perovskites (MHPs) are gaining increasing attention as low-cost, high-performance semiconductors for optoelectronics. In particular, their solution processing is compatible with the large-scale manufacturing of thin-film devices, including solar cells and light-emitting diodes. Understanding the coordination chemistry in precursor-solvent solution and atomistic mechanisms of film form… ▽ More Metal halide perovskites (MHPs) are gaining increasing attention as low-cost, high-performance semiconductors for optoelectronics. In particular, their solution processing is compatible with the large-scale manufacturing of thin-film devices, including solar cells and light-emitting diodes. Understanding the coordination chemistry in precursor-solvent solution and atomistic mechanisms of film formation is of great importance for optimizing the optoelectronic properties of the final films. Using the methylammonium lead triiodide (MAPbI3) as an example, we study the complex evolution of the molecular species from the solution to the initial stage of the crystallization by using a combination of density functional theory (DFT) calculations and ab-initio molecular dynamics (AIMD) simulations. We focus on the widely employed solvents DMSO and DMF, analyze the structures and energies of the iodoplumbate complexes in the form of simple complex and polymeric iodoplumbates. Based on the calculated formation enthalpies, we propose reaction schemes of MAPbI3 formation in DMSO, DMF and DMSO-DMF binary solvent and explain the advantages of the binary solvent. We highlight the important role of NH-O hydrogen bonds in the formation of iodoplumbates monomers. Our calculations indicate unbalanced reaction energies at several elementary reaction steps in either DMF or DMSO. Mixing a small amount of DMSO in DMF gives rise to a better balance in the energies and, therefore, potentially better equilibria in the overall crystallization process and better quality of the final perovskite films. △ Less

Submitted 25 October, 2021; originally announced October 2021.

Efficient Computation of Metal Halide Perovskites Properties using the Extended Density Functional Tight Binding: GFN1-xTB Method

Authors: J. M. Vicent-Luna, S. Apergi, S. Tao

Abstract: In recent years, metal halide perovskites (MHPs) for optoelectronic applications have attracted the attention of the scientific community due to their outstanding performance. The fundamental understanding of their physicochemical features is essential for improving their efficiency and stability. Atomistic and molecular simulations have played an essential role in the description of the optoelect… ▽ More In recent years, metal halide perovskites (MHPs) for optoelectronic applications have attracted the attention of the scientific community due to their outstanding performance. The fundamental understanding of their physicochemical features is essential for improving their efficiency and stability. Atomistic and molecular simulations have played an essential role in the description of the optoelectronic properties and dynamical behaviour of MHPs, respectively. However, the complex interplay of the dynamical and optoelectronic properties in MHPs requires the simultaneous modelling of electrons and ions in relatively large systems, which entails a high computational cost, sometimes not affordable by the standard quantum mechanics methods, such as Density Functional Theory (DFT). Here, we explore the suitability of the recently developed Density Functional Tight Binding (DFTB) method, GFN1-xTB, for simulating MHPs with the aim of exploring an efficient alternative to DFT. The performance of GFN1-xTB for computing structural, vibrational and optoelectronic properties of several MHPs is benchmarked against experiments and DFT calculations. In general, this method produces accurate predictions for many of the properties of the studied MHPs, which are comparable to DFT and experiments. However, we also identify a few shortcomings, related to specific geometries and chemical compositions. Nevertheless, we believe that the tunability of GFN1-xTB is the key to resolving any observed issues and we propose specific targets, whose refinement will turn this method into a powerful computational tool for the study of MHPs and beyond. △ Less

Submitted 4 April, 2021; originally announced April 2021.

Comments: 11 + 5 pages, 10 + 8 figures

Curved boundary conditions of the lattice Boltzmann method for simulating microgaseous flows in the slip flow regime

Authors: Liang Wang, Shi Tao, Junjie Hu, Kai Zhang, Gui Lu

Abstract: The lattice Boltzmann method (LBM) has shown its promising capability in simulating microscale gas flows. However, the suitable boundary condition is still one of the critical issues for the LBM to model microgaseous flows involving curved geometries. In this paper, a local boundary condition of the LBM is proposed to treat curved solid walls of microgaseous flows. The developed boundary treatment… ▽ More The lattice Boltzmann method (LBM) has shown its promising capability in simulating microscale gas flows. However, the suitable boundary condition is still one of the critical issues for the LBM to model microgaseous flows involving curved geometries. In this paper, a local boundary condition of the LBM is proposed to treat curved solid walls of microgaseous flows. The developed boundary treatment combines the Maxwellian diffuse reflection scheme and a single-node boundary scheme which contains a free parameter as well as the distance ratio. The curved boundary condition is analyzed within the multiple-relaxation-time (MRT) model for a unidirectional microflow. It is shown that the derived slip velocity depends on the free parameter as well as the distance ratio and relaxation times. By virtue of the free parameter, the combination parameter and the uniform relaxation time are theoretically determined to realize the accurate slip boundary condition. In addition, it is found that besides the halfway diffuse-bounce-back (DBB) scheme, previous curved boundary schemes only containing the distance ratio cannot ensure uniform relaxation times to realize the slip boundary condition. Some numerical examples with planar and curved boundaries are carried out to validate the present curved boundary scheme. The good and robust consistency of numerical predictions with analytical solutions demonstrates our theoretical analysis. △ Less

Submitted 29 December, 2020; originally announced December 2020.

Comments: 31 pages, 13 figures

High-efficient and polarization independent edge coupler for thin-film lithium niobite waveguide devices

Authors: Changran Hu, An Pan, Tingan Li, Xuanhao Wang, Yuheng Liu, Shiqi Tao, Cheng Zeng, Jinsong Xia

Abstract: Lithium niobate (LN) devices have been widely used in optical communication and nonlinear optics due to its attractive optical properties. The emergence of thin-film lithium niobate on insulator (LNOI) improves performances of LN-based devices greatly. However, a high-efficient fiber-chip optical coupler is still necessary for the LNOI-based devices for practical applications. In this paper, we de… ▽ More Lithium niobate (LN) devices have been widely used in optical communication and nonlinear optics due to its attractive optical properties. The emergence of thin-film lithium niobate on insulator (LNOI) improves performances of LN-based devices greatly. However, a high-efficient fiber-chip optical coupler is still necessary for the LNOI-based devices for practical applications. In this paper, we demonstrate a highly efficient and polarization-independent edge coupler based on LNOI. The coupler, fabricated by standard semiconductor process, shows a low fiber-chip coupling loss of 0.54 dB/0.59 dB per facet at 1550 nm for TE/TM light respectively, when coupled with ultra-high numerical aperture fiber (UHNAF) of which mode field diameter is about 3.2 micrometers. The coupling loss is lower than 1dB/facet for both TE and TM light at wavelengths longer than 1527nm. A relatively large tolerance for optical misalignment is also proved. The coupler shows a promising stability in high optical power and temperature variation. △ Less

Submitted 6 September, 2020; originally announced September 2020.

Comments: 8 pages, 6 figures

Transport and deposition of dilute microparticles in turbulent thermal convection

Authors: Ao Xu, Shi Tao, Le Shi, Heng-Dong Xi

Abstract: We analyze the transport and deposition behavior of dilute microparticles in turbulent Rayleigh-Bénard convection. Two-dimensional direct numerical simulations were carried out for the Rayleigh number ($Ra$) of $10^{8}$ and the Prandtl number ($Pr$) of 0.71 (corresponding to the working fluids of air). The Lagrangian point particle model was used to describe the motion of microparticles in the tur… ▽ More We analyze the transport and deposition behavior of dilute microparticles in turbulent Rayleigh-Bénard convection. Two-dimensional direct numerical simulations were carried out for the Rayleigh number ($Ra$) of $10^{8}$ and the Prandtl number ($Pr$) of 0.71 (corresponding to the working fluids of air). The Lagrangian point particle model was used to describe the motion of microparticles in the turbulence. Our results show that the suspended particles are homogeneously distributed in the turbulence for the Stokes number ($St$) less than $10^{-3}$, and they tend to cluster into bands for $10^{-3} \lesssim St \lesssim 10^{-2}$. At even larger $St$, the microparticles will quickly sediment in the convection. We also calculate the mean-square displacement (MSD) of the particle's trajectories. At short time intervals, the MSD exhibits a ballistic regime, and it is isotropic in vertical and lateral directions; at longer time intervals, the MSD reflects a confined motion for the particles, and it is anisotropic in different directions. We further obtained a phase diagram of the particle deposition positions on the wall, and we identified three deposition states depending on the particle's density and diameter. An interesting finding is that the dispersed particles preferred to deposit on the vertical wall where the hot plumes arise, which is verified by tilting the cell and altering the rotation direction of the large-scale circulation. △ Less

Submitted 3 August, 2020; v1 submitted 11 July, 2020; originally announced July 2020.

Comments: 21 pages, 10 figures

Journal ref: Physics of Fluids 2020, 32 (8), 083301

Data-Centric Mixed-Variable Bayesian Optimization For Materials Design

Authors: Akshay Iyer, Yichi Zhang, Aditya Prasad, Siyu Tao, Yixing Wang, Linda Schadler, L Catherine Brinson, Wei Chen

Abstract: Materials design can be cast as an optimization problem with the goal of achieving desired properties, by varying material composition, microstructure morphology, and processing conditions. Existence of both qualitative and quantitative material design variables leads to disjointed regions in property space, making the search for optimal design challenging. Limited availability of experimental dat… ▽ More Materials design can be cast as an optimization problem with the goal of achieving desired properties, by varying material composition, microstructure morphology, and processing conditions. Existence of both qualitative and quantitative material design variables leads to disjointed regions in property space, making the search for optimal design challenging. Limited availability of experimental data and the high cost of simulations magnify the challenge. This situation calls for design methodologies that can extract useful information from existing data and guide the search for optimal designs efficiently. To this end, we present a data-centric, mixed-variable Bayesian Optimization framework that integrates data from literature, experiments, and simulations for knowledge discovery and computational materials design. Our framework pivots around the Latent Variable Gaussian Process (LVGP), a novel Gaussian Process technique which projects qualitative variables on a continuous latent space for covariance formulation, as the surrogate model to quantify "lack of data" uncertainty. Expected improvement, an acquisition criterion that balances exploration and exploitation, helps navigate a complex, nonlinear design space to locate the optimum design. The proposed framework is tested through a case study which seeks to concurrently identify the optimal composition and morphology for insulating polymer nanocomposites. We also present an extension of mixed-variable Bayesian Optimization for multiple objectives to identify the Pareto Frontier within tens of iterations. These findings project Bayesian Optimization as a powerful tool for design of engineered material systems. △ Less

Submitted 4 July, 2019; originally announced July 2019.

Magnon Valves Based on YIG/NiO/YIG All-Insulating Magnon Junctions

Authors: C. Y. Guo, C. H. Wan, X. Wang, C. Fang, P. Tang, W. J. Kong, M. K. Zhao, L. N. Jiang, B. S. Tao, G. Q. Yu, X. F. Han

Abstract: As an alternative angular momentum carrier, magnons or spin waves can be utilized to encode information and breed magnon-based circuits with ultralow power consumption and non-Boolean data processing capability. In order to construct such a circuit, it is indispensable to design some electronic components with both long magnon decay and coherence length and effective control over magnon transport.… ▽ More As an alternative angular momentum carrier, magnons or spin waves can be utilized to encode information and breed magnon-based circuits with ultralow power consumption and non-Boolean data processing capability. In order to construct such a circuit, it is indispensable to design some electronic components with both long magnon decay and coherence length and effective control over magnon transport. Here we show that an all-insulating magnon junctions composed by a magnetic insulator (MI1)/antiferromagnetic insulator (AFI)/magnetic insulator (MI2) sandwich (Y3Fe5O12/NiO/Y3Fe5O12) can completely turn a thermogradient-induced magnon current on or off as the two Y3Fe5O12 layers are aligned parallel or anti-parallel. The magnon decay length in NiO is about 3.5~4.5 nm between 100 K and 200 K for thermally activated magnons. The insulating magnon valve (magnon junction), as a basic building block, possibly shed light on the naissance of efficient magnon-based circuits, including non-Boolean logic, memory, diode, transistors, magnon waveguide and switches with sizable on-off ratios. △ Less

Submitted 30 September, 2018; originally announced October 2018.

Comments: 9 pages, 7 figures

A distribution function correction-based immersed boundary- lattice Boltzmann method with truly second-order accuracy for fluid-solid flows

Authors: Shi Tao, Qing He, Baiman Chen, Simin Huang

Abstract: The immersed boundary lattice Boltzmann method (IB-LBM) has been widely used in the simulation of fluid-solid interaction and particulate flow problems, since proposed in 2004. However, it is usually a non-trivial task to retain the flexibility and the accuracy simultaneously in the implementation of this approach. Based on the intrinsic nature of the LBM, we propose a simple and second-order accu… ▽ More The immersed boundary lattice Boltzmann method (IB-LBM) has been widely used in the simulation of fluid-solid interaction and particulate flow problems, since proposed in 2004. However, it is usually a non-trivial task to retain the flexibility and the accuracy simultaneously in the implementation of this approach. Based on the intrinsic nature of the LBM, we propose a simple and second-order accurate IB-LBM in this paper, where the no-slip boundary condition on the fluid-solid interface is directly imposed by iteratively correcting the distribution function near the boundary, markedly similar to the treatment of boundary condition in the original LBM. Therefore, there are no additional efforts needed to construct an interfacial force model (such as the spring, feedback and direct force models) and absorb this force into the framework of LBM. It is worth mentioning that we retain the discrete delta function for the connection between the Lagrangian and Eulerian meshes, thus preserving the flexibility of the conventional IB-LBM. Second-order accuracy of the present IB-LBM is reasonably confirmed in the simulation of cylindrical Couette flow, while the conventional approach is generally a first-order scheme. The present method is first validated in the flow past a fixed cylinder. No streamline penetration is found, indicating the exactly enforcement of the no-slip boundary condition. Furthermore, in the simulations of one and two particles settling under gravity, good agreements can be observed comparing with the data available in the literature. △ Less

Submitted 25 March, 2018; originally announced March 2018.

Comments: arXiv admin note: text overlap with arXiv:1801.05708

A combined immersed boundary and discrete unified gas kinetic scheme for particle-fluid flows

Authors: Shi Tao, Haolong Zhang, Zhaoli Guo, Lian-Ping Wang

Abstract: A discrete unified gas kinetic scheme (DUGKS) coupled with the immersed boundary (IB) method is developed to perform interface-resolved simulation of particle-laden flows. The present method (IB-DUGKS) preserves the respective advantages of the IB and DUGKS, i.e., the flexibility and efficiency for treating complex flows, and the robustness and low numerical-dissipation. In IB-DUGKS, the IB method… ▽ More A discrete unified gas kinetic scheme (DUGKS) coupled with the immersed boundary (IB) method is developed to perform interface-resolved simulation of particle-laden flows. The present method (IB-DUGKS) preserves the respective advantages of the IB and DUGKS, i.e., the flexibility and efficiency for treating complex flows, and the robustness and low numerical-dissipation. In IB-DUGKS, the IB method is used to treat the fluid-solid interfaces and the DUGKS is applied to simulate the fluid flow, making use of the Lagrangian and Eulerian meshes, respectively. Those two meshes are fully independent, which contributes to the avoidance of grid regeneration when a solid particle moves. Specifically, in the present implementation of IB-DUGKS, the no-slip boundary condition at the particle surface is accurately enforced by introducing an efficient iterative forcing algorithm, and the IB force induced by the particle boundary is conveniently incorporated into the DUGKS with the Strange-Splitting scheme. The accuracy of the IB-DUGKS is first verified in the flows past a stationary cylinder and an oscillating cylinder in a quiescent fluid. After that, several well-established two- and three-dimensional particulate flow problems are simulated, including the sedimentation of a particle and the DKT dynamics of two particles in a channel, and a group of particles settling in an enclosure. In all test cases, the results are in good agreement with the data available in the literature, demonstrating that the proposed IB-DUGKS is a promising tool for simulating particulate flows. △ Less

Submitted 16 January, 2018; originally announced January 2018.

Comments: 25 pages, 19 figures

A coupled discrete unified gas-kinetic scheme for Boussinesq flows

Authors: Peng Wang, Shi Tao, Zhaoli Guo

Abstract: Recently, the discrete unified gas-kinetic scheme (DUGKS) [Z. L. Guo \emph{et al}., Phys. Rev. E ${\bf 88}$, 033305 (2013)] based on the Boltzmann equation is developed as a new multiscale kinetic method for isothermal flows. In this paper, a thermal and coupled discrete unified gas-kinetic scheme is derived for the Boussinesq flows, where the velocity and temperature fields are described independ… ▽ More Recently, the discrete unified gas-kinetic scheme (DUGKS) [Z. L. Guo \emph{et al}., Phys. Rev. E ${\bf 88}$, 033305 (2013)] based on the Boltzmann equation is developed as a new multiscale kinetic method for isothermal flows. In this paper, a thermal and coupled discrete unified gas-kinetic scheme is derived for the Boussinesq flows, where the velocity and temperature fields are described independently. Kinetic boundary conditions for both velocity and temperature fields are also proposed. The proposed model is validated by simulating several canonical test cases, including the porous plate problem, the Rayleigh-bénard convection, and the natural convection with Rayleigh number up to $10^{10}$ in a square cavity. The results show that the coupled DUGKS is of second order accuracy in space and can well describe the convection phenomena from laminar to turbulent flows. Particularly, it is found that this new scheme has better numerical stability in simulating high Rayleigh number flows compared with the previous kinetic models. △ Less

Submitted 9 December, 2014; originally announced December 2014.