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All-SiC Fiber-Optic Sensor Based on Direct Wafer Bonding for High Temperature Pressure Sensing

Photonic Sensors 2022年第2期12卷 130-139页

作者： Ting LIANG Wangwang LI Cheng LEI Yongwei LI Zhiqiang LI Jijun XIONG Science and Technology on Electronic Test&Measurement Laboratory North University of ChinaTaiyuan 030051China Department of Physics Taiyuan Normal UniversityJinzhong 030619China Institute of Computational and Applied Physics Taiyuan Normal UniversityJinzhong 030619China

This paper presents an all-SiC fiber-optic Fabry-Perot(FP)pressure sensor based on the hydrophilic direct bonding technology for the applications in the harsh *** operating principle,fabrication,interface characteristics,and pressure response test of the proposed all-SiC pressure sensor are *** FP cavity is formed by hermetically direct bonding of two-layer SiC wafers,including a thinned SiC diaphragm and a SiC wafer with an etched *** light interference is used for the detection and demodulation of the sensor pressure *** results demonstrate the sensing capabilities for the pressure range up to 800 *** all-SiC structure without any intermediate layer can avoid the sensor failure caused by the thermal expansion coefficient mismatch and therefore has a great potential for pressure measurement in high temperature environments.

关键词： SiC pressure sensor optical-fiber high temperature direct bonding

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LAMBench: A Benchmark for Large Atomic Models

arXiv

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arXiv 2025年

作者： Peng, Anyang Cai, Chun Guo, Mingyu Zhang, Duo Zhang, Chengqian Loew, Antoine Zhang, Linfeng Wang, Han AI for Science Institute Beijing China School of Chemistry Sun Yat-sen University Guangzhou China Academy for Advanced Interdisciplinary Studies Peking University Beijing China Ruhr University Bochum Bochum Germany DP Technology Beijing China National Key Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Beijing China HEDPS CAPT College of Engineering Peking University Beijing China

Large atomic models (LAMs) have undergone remarkable progress recently, emerging as universal or fundamental representations of the potential energy surface defined by the first-principles calculations of atomic systems. However, our understanding of the extent to which these models achieve true universality, as well as their comparative performance across different models, remains limited. This gap is largely due to the lack of comprehensive benchmarks capable of evaluating the effectiveness of LAMs as approximations to the universal potential energy surface. In this study, we introduce LAMBench, a benchmarking system designed to evaluate LAMs in terms of their generalizability, adaptability, and applicability. These attributes are crucial for deploying LAMs as ready-to-use tools across a diverse array of scientific discovery contexts. We benchmark eight state-of-the-art LAMs released prior to April 1, 2025, using LAMBench. Our findings reveal a significant gap between the current LAMs and the ideal universal potential energy surface. They also highlight the need for incorporating cross-domain training data, supporting multi-fidelity modeling, and ensuring the models’ conservativeness and differentiability. As a dynamic and extensible platform, LAMBench is intended to continuously evolve, thereby facilitating the development of robust and generalizable LAMs capable of significantly advancing scientific research. The LAMBench code is open-sourced at https://***/deepmodeling/lambench, and an interactive leaderboard is available at https://***/openlam?tab=Benchmark. © 2025, CC BY.

关键词： Atoms

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Force-based gradient descent method for ab initio atomic structure relaxation

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Physical Review B 2022年第10期106卷 104101-104101页

作者： Yukuan Hu Xingyu Gao Yafan Zhao Xin Liu Haifeng Song State Key Laboratory of Scientific and Engineering Computing Academy of Mathematics and Systems Science Chinese Academy of Sciences Beijing 100190 China University of Chinese Academy of Sciences Beijing 100049 China Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Beijing 100088 China CAEP Software Center for High Performance Numerical Simulation Beijing 100088 China

Force-based algorithms for ab initio atomic structure relaxation, such as conjugate gradient methods, usually get stuck in the line minimization processes along search directions, where expensive ab initio calculations are triggered frequently to test trial positions before locating the next iterate. We present a force-based gradient descent method, WANBB, that circumvents the deficiency. At each iteration, WANBB enters the line minimization process with a trial step size capturing the local curvature of the energy surface. The exit is controlled by a nonrestrictive criterion that tends to accept early trials. These two ingredients streamline the line minimization process in WANBB. The numerical simulations on nearly 80 systems with good universality demonstrate the considerable compression of WANBB on the cost for the unaccepted trials compared with conjugate gradient methods. We also observe across the board significant and universal speedups as well as the superior robustness of WANBB over several widely used methods. The latter point is theoretically established. The implementation of WANBB is pretty simple, in that no a priori physical knowledge is required and only three parameters are present without tuning.

关键词： Crystal structure Structural properties Density functional theory development

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Two-dimensional simulation study on the response processes of explosive in thermal environment 30th

Two-dimensional simulation study on the response processes o...

引用

30th European Safety and Reliability Conference, ESREL 2020 and 15th Probabilistic Safety Assessment and Management Conference, PSAM 2020

作者： Wei, Lan Hu, Xiaomian Institute of Applied Physics and Computational Mathematics Beijing China

ISBN: (纸本)9789811485930

The security of explosive is an important index in the safety evaluation of an engineering system with explosive. In this work we carry out a two-dimensional simulation study on the complex response processes of explosive in thermal environment. A device containing explosive is simplified to two-dimensional plane or axial symmetry geometry and the coupled thermal, mechanical and chemical response processes of explosive in thermal environment are described as two stages, before ignition and after ignition. Before ignition, we use Arrhenius reaction rate and thermal conduct equations to describe the thermal decomposition process and and use the finite difference method to solve. After ignition, we use two phase flow model of solid explosive and gas reaction product to describe the process and solve the two phase flow equations utilizing the space-time Conservation Element and Solution Element (CE/SE) method. Simulation results of time, location of ignition and pressure of convective burning accord with the experimental data of thermal ignition experiment, flash experiment and high temperature DDT tube experiment. The relation between ignition time and initial temperature is that the logarithm of ignition is of linearity with the reciprocal of initial temperature. The state of explosive at the time of ignition is evaluated to serve as initial conditions of the response after ignition. Copyright © ESREL2020-PSAM15 *** by Research Publishing, Singapore.

关键词： Explosives

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High-precision equation of state benchmark for cryogenic liquid deuterium at ultrahigh pressure

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Physical Review B 2021年第13期103卷 134107-134107页

作者： Zhiyu He Qili Zhang Haifeng Liu Guo Jia Xiuguang Huang Zhiheng Fang Zhiyong Xie Junjian Ye Hua Shu Jiaqin Dong Fan Zhang Yuchun Tu Wei Wang Sizu Fu Shanghai Institute of Laser Plasma P. O. BOX 800229 Shanghai 201800 China Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Beijing 100094 China

We provide a principal Hugoniot of cryogenic liquid deuterium at a pressure of 27<P<240 GPa, with reflected-shock data of up to ∼830 GPa. The maximum density reaches ∼1.49 g/cm3, about 8.7 times the initial de... 详细信息

We provide a principal Hugoniot of cryogenic liquid deuterium at a pressure of 27

关键词： Equations of state Shock waves Laser dynamics Pressure techniques

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An Intelligent Hexahedral Mesh Smoothing Method Based on Deep Learning

SSRN

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SSRN 2023年

作者： Liu, Lufeng Zhou, Xuan Wang, Yutao Li, Shuixiang Institute of Applied Physics and Computational Mathematics Beijing100094 China Department of Mechanics and Engineering Science College of Engineering Peking University Beijing100871 China

We introduce an intelligent mesh smoothing method for the mesh quality improvement of unstructured 3D hexahedral meshes with fixed boundaries. We apply a supervised learning framework based on the deep neural networks. We directly generate the training data from the high-quality meshes and their stochastic disturbance. The supervised learning model will build a direct mapping from the poor-quality mesh to the high-quality mesh via the training data, making it possible to overcome the complicated design of traditional smoothing methods. Using only neighboring node coordinates and constructing them in point cloud format, the trained neural network can smooth both uniform and non-uniform meshes. The intelligent mesh smoothing method generates the smoothed mesh with better mesh quality and fewer iteration steps, compared to the Laplacian method and an optimization-based method. Moreover, the trained network demonstrates high generalization capability on the mesh with different disturbance forms which are not concerned in the training data. To the best of our knowledge, this is the first time that the machine learning method has been applied to the smoothing of 3D unstructured hexahedral meshes and demonstrates good application prospect. © 2023, The Authors. All rights reserved.

关键词： Supervised learning

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General Matrix Representation for Generalized B-Splines and Its Application

SSRN

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SSRN 2023年

作者： Guo, Huayuan Liu, Minchao Qin, Guiming Qin, Kaihuai He, Kunlun Chinese PLA General Hospital China Institute of Applied Physics and Computational Mathematics China Tsinghua University China Beijing Key Laboratory of Chronic Heart Failure Precision Medicine China

In this paper, a general matrix representation for non-uniform generalized B-spline curves of an arbitrary degree is presented, by representing the de Boor-Cox formula with Toeplitz matrix and modifying the value of B-spline basis function with a core function. New recursive matrix representations for uniform generalized B-spline curves and generalized piecewise Bézier curves of an arbitrary degree are obtained as special cases of that for non-uniform generalized B-spline curves. Furthermore, based on this general matrix,we developed the shape-adjustable algorithms for the computation of generalized B-spline curves and surfaces. Experiments show that the novel basis matrix method can be substituted for de Boor-Cox formula for B-splines, and it has a better time complexity and modeling capability. © 2023, The Authors. All rights reserved.

关键词： Matrix algebra

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Quantized Spin Pumping in Topological Ferromagnetic-Superconducting Nanowires

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Physical Review Letters 2023年第23期130卷 237002-237002页

作者： V. Fernández Becerra Mircea Trif Timo Hyart International Research Centre MagTop Institute of Physics Polish Academy of Sciences Aleja Lotnikow 32/46 PL-02668 Warsaw Poland Department of Applied Physics Aalto University 00076 Aalto Espoo Finland Computational Physics Laboratory Physics Unit Faculty of Engineering and Natural Sciences Tampere University FI-33014 Tampere Finland

Semiconducting nanowires with strong spin-orbit coupling in the presence of induced superconductivity and ferromagnetism can support Majorana zero modes. We study the pumping due to the precession of the magnetization in single-subband nanowires and show that spin pumping is robustly quantized when the hybrid nanowire is in the topologically nontrivial phase, whereas charge pumping is not quantized. Moreover, there exists one-to-one correspondence between the quantized conductance, entropy change and spin pumping in long topologically nontrivial nanowires but these observables are uncorrelated in the case of accidental zero-energy Andreev bound states in the trivial phase. Thus, we conclude that observation of correlated and quantized peaks in the conductance, entropy change and spin pumping would provide strong evidence of Majorana zero modes, and we elaborate how topological Majorana zero modes can be distinguished from quasi-Majorana modes potentially created by a smooth tunnel barrier at the lead-nanowire interface. Finally, we discuss peculiar interference effects affecting the spin pumping in short nanowires at very low energies.

关键词： Quantum transport Spin dynamics Spin-orbit coupling Topological phase transition Topological superconductors

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Nature of spin-lattice coupling in two-dimensional CrI_(3) and CrGeTe_(3)

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Science China(physics,Mechanics & Astronomy) 2021年第8期64卷 63-71页

作者： Jing Li JunSheng Feng PanShuo Wang ErJun Kan HongJun Xiang Key Laboratory of Computational Physical Sciences(Ministry of Education) State Key Laboratory of Surface Physicsand Department of PhysicsFudan UniversityShanghai 200433China Shanghai Qi Zhi Institute Shanghai 200232China School of Physics and Materials Engineering Hefei Normal UniversityHefei 230601China Department of Applied Physics and Institution of Energy and Microstructure Nanjing University of Science and TechnologyNanjing 210094China Collaborative Innovation Center of Advanced Microstructures Nanjing 210093China

Spin-lattice (SL) coupling plays an important role in spintronic applications given its effects on magnetic,ferroelectric,optical,and thermodynamic *** and theoretical calculations have revealed a large SL coupling effect in CrGeTe_(3) and CrI_(3) ***,the microscopic origin of SL coupling in these systems is still *** this work,we develop a systematic method to explore the atomistic mechanism of SL coupling based on the density functional *** find that the first-and second-order SL couplings in ternary system CrGeTe_(3) are considerably stronger than those in binary system CrI_(3).For the first-order SL coupling,the Cr ions of the magnetic pair and Ge ions positively contribute to the strain enhancement of ferromagnetism in CrGeTe_(3).However,the Cr ions provide a negative contribution in CrI_(3).Furthermore,our tight-binding analysis suggests that the p-d hopping in CrGeTe_(3) gradually decreases with the tensile strain,rapidly enhancing the ferromagnetism under the tensile *** large frequency shifts in CrGeTe_(3) are caused by the large second-order exchange derivatives (one type of second-order SL coupling) of the Cr ions of the magnetic pair.

关键词： spin-lattice effect two-dimensional magnetic materials first-principle calculation

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Tuning 2D magnetism in Fe3+XGeTe2 films by element doping

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National Science Review 2022年第6期9卷 163-170页

作者： Shanshan Liu Zihan Li Ke Yang Enze Zhang Awadhesh Narayan Xiaoqian Zhang Jiayi Zhu Wenqing Liu Zhiming Liao Masaki Kudo Takaaki Toriyama Yunkun Yang Qiang Li Linfeng Ai Ce Huang Jiabao Sun Xiaojiao Guo Wenzhong Bao Qingsong Deng Yanhui Chen Lifeng Yin Jian Shen Xiaodong Han Syo Matsumura Jin Zou Yongbing Xu Xiaodong Xu Hua Wu Faxian Xiu State Key Laboratory of Surface Physics and Department of Physics Fudan University Institute for Nanoelectronic Devices and Quantum Computing Fudan University College of Science University of Shanghai for Science and Technology Laboratory for Computational Physical Sciences(MOE) Fudan University Solid State and Structural Chemistry Unit Indian Institute of Science School of Electronic Science and Engineering Nanjing University Department of Physics University of Washington Department of Electronic Engineering Royal Holloway University of London Materials Engineering The University of Queensland Beijing Key Laboratory of Microstructure and Property of Advanced Materials Institute of Microstructure and Property of Advanced Materials Beijing University of Technology The Ultramicroscopy Research Center Kyushu University State Key Laboratory of ASIC and System School of Microelectronics Fudan University Collaborative Innovation Center of Advanced Microstructures Department of Applied Quantum Physics and Nuclear Engineering Kyushu University Centre for Microscopy and Microanalysis The University of Queensland Shanghai Research Center for Quantum Sciences

Two-dimensional（2D） ferromagnetic materials have been discovered with tunable magnetism and orbital-driven nodal-line features. Controlling the 2D magnetism in exfoliated nanoflakes via electric/magnetic fields enables a boosted Curie temperature（TC） or phase transitions. One of the challenges, however, is the realization of high TC2D magnets that are tunable, robust and suitable for large scale fabrication. Here, we report molecular-beam epitaxy growth of wafer-scale Fe3+XGeTe2films with TCabove room temperature. By controlling the Fe composition in Fe3+XGeTe2, a continuously modulated TCin a broad range of 185–320 K has been achieved. This widely tunable TCis attributed to the doped interlayer Fe that provides a 40% enhancement around the optimal composition X = 2. We further fabricated magnetic tunneling junction device arrays that exhibit clear tunneling signals. Our results show an effective and reliable approach, i.e. element doping, to producing robust and tunable ferromagnetism beyond room temperature in a large-scale 2D Fe3+XGeTe2fashion.

关键词： 2D ferromagnetic material Fe3+XGeTe2 film element doping above room temperature TC tunability

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