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Rescattering of stimulated Raman side scattering in nonuniform plasmas

Matter and Radiation at Extremes 2024年第5期9卷 68-76页

作者： S.Tan Q.Wang Y.Chen W.B.Yao C.Z.Xiao J.F.Myatt School of Physics and Electronics Hunan UniversityChangsha 410082China Institute of Applied Physics and Computational Mathematics Beijing 100094China School of Electrical and Information Engineering Anhui University of Science and TechnologyHuainanAnhui 232001China Department of Electrical and Computer Engineering University of Alberta9211116 St.NWEdmontonAlberta T6G 1H9Canada

Rescattering of stimulated Raman side scattering(SRSS)is observed for the first time via two-dimensional(2D)particle-in-cell(PIC)*** construct a theoretical model for the rescattering process,which can predict the region of occurrence of mth-order SRSS and estimate its *** rescattering process is identified by the 2D PIC simulations under typical conditions of a direct-drive inertial confinement fusion *** electrons produced by second-order SRSS propagate nearly perpendicular to the density gradient and gain nearly the same energy as in first-order SRSS,but there is no cascade acceleration to produce superhot *** studies for a wide range of ignition conditions show that SRSS and associated rescatterings are robust and important processes in inertial confinement fusion.

关键词： nonuniform acceleration scattering

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Green Synthesis and Characterization of Ag2O/CuO/ZnO Nano Composites Using Aqueous Extract of Croton Macrostachyus Leaf for Photodegradation, Anti-Microbial and Antioxidant Activities

SSRN

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SSRN 2024年

作者： Masho, Tola Jabessa Arasu, Ponnusamy Thillai Bogale, Raji Feyisa AmareZerrefa, Enyew Ramamurthy, Sivakumar Department of Chemistry College of Natural and computational Sciences Wollega University Nekemte395 Ethiopia Department of Applied Chemistry School of Applied Natural Science Adama Science and Technology University Adama Ethiopia Department Chemistry College of Natural and computational Sciences Blue Hora University Bule Hora Ethiopia Department of Physics Easwari Engineering College Ramapuram Tamilnadu Chennai600089 India

The current study is focused on the phyto-mediated synthesis of ZnO, CuO, and Nanoparticles and their ternary nanocomposites via aqueous Croton macrostachyus leaf extract using the precursors Zn (CH3OO)2.3H2O, Ag2SO4, and Cu (NO3)2.3H2O, respectively without any fuel. An effective method for eliminating organic contaminants from wastewater is photo degradation. SEM, EDX, TEM, HRTEM, selected area electron diffraction SAED,PXRD, XPS, FTIR and UV-vis spectroscopy and FTIR confirmed the presence of secondary metabolites in the extract, which were responsible for reducing Ag+ to Ag0, ZnO2+ to Zn0, and CuO2+ to Cu0, which are characteristic of Ag-O, Zn-O, and Cu-O. A vibration band was observed at 447.19, 432.32, and 431.73 cm-1 respectively, and for their ternary 429.93 cm-1 (Ag2O/CuO/ZnO (1:2:7) and 430.74 cm-1 (Ag2O/CuO/ZnO (1:1:1) nanocomposites. The crystalline size of nanocomposites was calculated using the Debye-Scherrer equation at 2.71 nm and 2.35 nm for ternary nanocomposites. Their photocatalytic, anti-microbial and anti-oxidant activities were evaluated. The ternary ZnO nanocomposites showed that methylene blue dye was degraded efficiently in 60 minutes under sunlight irradiation. The Enhanced degradation efficiencies were observed for ternary nanocomposites with 96% scavenging of DDPH free radicals. Additionally, Ag2O/CuO/ZnO nanocomposites and their metal oxide nanoparticles exhibited potent antioxidant activity against DDPH radicals. © 2024, The Authors. All rights reserved.

关键词： Synthesis (chemical)

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Strong spin-lattice coupling and high-temperature magnetic ordering in monolayer chromium dichalcogenides

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Physical Review Materials 2024年第6期8卷 064001-064001页

作者： A. González-García C. Bacaksiz T. Frauenheim M. V. Milošević Grupo de Investigación en Física Aplicada Departamento de Física Department of Physics & NANOlab Center of Excellence Computational Biotechnology D-28359 Bremen Germany Shenzhen JL Computational Science and Applied Research Institute Shenzhen 518131 China Beijing 100193 China Instituto de Física

We detail the magnetic properties of monolayer CrX2 and its Janus counterparts CrXY (X,Y=S,Se,Te, with X≠Y) using ab initio methods and Landau-Lifshitz-Gilbert magnetization dynamics, and uncover the pronouncedly strong interplay between their structure symmetry and the magnetic order. The relaxation of nonmagnetic chalcogen atoms, that carry large spin-orbit coupling, changes the energetically preferential magnetic order between in-plane antiferromagnetic and tilted ferromagnetic one. The considered Janus monolayers exhibit sizable Dzyaloshinskii-Moriya interaction, in some cases above 20% of the isotropic exchange, and critical temperature of the long-range magnetic order in the vicinity or even significantly above the room temperature.

关键词： Magnetic anisotropy Magnetism Room-temperature magnet calculations 2-dimensional systems Density functional theory Landau-Lifschitz-Gilbert equation

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Nonlinear bubble behaviours of compressible Rayleigh–Taylor instability with isothermal stratification in cylindrical geometry

arXiv

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arXiv 2025年

作者： Yuan, Ming Zhao, Zhiye Liu, Luoqin Wang, Pei Liu, Nan-Sheng Lu, Xi-Yun Department of Modern Mechanics University of Science and Technology of China Anhui Hefei230026 China Department of Mechanical and Aerospace Engineering The Hong Kong University of Science and Technology Hong Kong Institute of Applied Physics and Computational Mathematics Beijing100094 China

Nonlinear evolutions of two-dimensional single-mode compressible Rayleigh–Taylor instability (RTI) with isothermal stratification are investigated in cylindrical geometry via direct numerical simulation for different Atwood numbers (AT = 0.1 − 0.9) and Mach numbers (Ma = 0.1 − 0.9). It is found that the nonlinear bubble growth involves the effects of density stratification, vorticity accumulation and flow compressibility and shows considerable differences between convergent (acceleration acting radially inward) and divergent (acceleration acting radially outward) cases. Specifically, the density stratification leads to non-acceleration at low AT and high Ma. The accelerations in convergent cases are dominated by vorticity accumulation at low AT and low Ma and by flow compressibility at high AT and high Ma whereas the accelerations in divergent cases are purely induced by flow compressibility at high AT and high Ma. Based on the nonlinear theory of incompressible cylindrical RTI with uniform-density background (Zhao et al., J. Fluid Mech., vol. 900, 2020, A24), an improved model is proposed by taking the density variation, vorticity accumulation and flow compressibility into consideration. This model is verified by numerical results and well reproduces the bubble evolution for different AT and Ma from linear to highly nonlinear regimes. © 2025, CC BY.

关键词： Vorticity

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High-accuracy detection of three-dimensional free surface for smoothed particle hydrodynamics based on the continuous global volume scanning

High-accuracy detection of three-dimensional free surface fo...

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中国力学大会-2021+1

作者： Wenbin Liu Dongjun Ma Mingyu Zhang An-Min He NanSheng Liu Pei Wang Department of Modern Mechanics University of Science and Technology of China Institute of Applied Physics and Computational Mathematics

1、Introduction Smoothed particle hydrodynamics(SPH) is a representative Lagrangian particle *** the SPH method,the material is discretized into a series of particles with independent *** to its Lagrangian and meshles... 详细信息

关键词： High-accuracy detection of three-dimensional free surface for smoothed particle hydrodynamics based on the continuous global volume scanning

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Single-Molecule Characterization of van der Waals Contact Between Alkane and Gold

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CCS Chemistry 2024年第11期6卷 2704-2712页

作者： Hongyu Ju Jinying Wang Wangping Liu Jie Hao Mengmeng Li Yanxia Xu Boyu Wang Suhang He Kunrong Mei Andrew C.-H.Sue Keqiu Chen Chuancheng Jia Xuefeng Guo School of Pharmaceutical Science and Technology Tianjin UniversityTianjin 300072 Center of Single-Molecule Sciences Institute of Modern OpticsFrontiers Science Center for New Organic MatterTianjin Key Laboratory of Microscale Optical Information Science and TechnologyCollege of Electronic Information and Optical EngineeringNankai UniversityTianjin 300350 Network for Computational Nanotechnology Purdue UniversityWest LafayetteIndiana 47907 Department of Applied Physics School of Physics and ElectronicsHunan UniversityChangsha 410082 College of Chemistry and Chemical Engineering Xiamen UniversityXiamen 361005 Beijing National Laboratory for Molecular Sciences National Biomedical Imaging CenterCollege of Chemistry and Molecular EngineeringPeking UniversityBeijing 100871

Van der Waals(vdW)contact,dominated by weak but ubiquitous vdW interactions,plays a significant role in diverse fields such as supramolecular chemistry,nanotechnology,and surface *** characterization of vdW contact at the single-molecule level remains ***,we combine the scanning tunneling microscope break junction technique with first-principles calculations to study the mechanical and electrical characteristics of the alkane/Au vdW contact in an in-situ solution *** step-like conductance plateaus indicate a gradual desorption of alkyl chains in units of two methylene groups under force *** distinct charge transport channels,through the shortest C–H/Au pathway and the entire adsorbed alkyl chain,are ***,we discover that a higher electric field leads to increased conductance and stronger bonding of the alkane/Au vdW *** results unveil the intrinsic properties of vdW contact at the molecular and even atomic levels,which are crucial for exploring noncovalent interactions and advancing molecular sciences.

关键词： alkane van der Waals contact singlemolecule electronics scanning tunneling microscope break junction electric field

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Unified gas-kinetic wave-particle methods IV: multi-species gas mixture and plasma transport

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Advances in Aerodynamics 2021年第1期3卷 186-216页

作者： Chang Liu Kun Xu Department of Mathematics Hong Kong University of Science and TechnologyHong KongChina Institute of Applied Physics and Computational Mathematics Beijing 100088China Shenzhen Research Institute Hong Kong University of Science and TechnologyShenzhen 518057China.

In this paper,we extend the unified gas-kinetic wave-particle(UGKWP)methods to the multi-species gas mixture and multiscale plasma *** construction of the scheme is based on the direct modeling on the mesh size and time step scales,and the local cell’s Knudsen number determines the flow *** proposed scheme has the multiscale and asymptotic complexity diminishing *** multiscale property means that according to the cell’s Knudsen number the scheme can capture the non-equilibrium flow physics when the cell size is on the kinetic mean free path scale,and preserve the asymptotic Euler,Navier-Stokes,and magnetohydrodynamics(MHD)when the cell size is on the hydrodynamic scale and is much larger than the particle mean free *** asymptotic complexity diminishing property means that the total degrees of freedom of the scheme reduce automatically with the decreasing of the cell’s Knudsen *** the continuum regime,the scheme automatically degenerates from a kinetic solver to a hydrodynamic *** the UGKWP,the evolution of microscopic velocity distribution is coupled with the evolution of macroscopic variables,and the particle evolution as well as the macroscopic fluxes is modeled from a time accumulating solution of kinetic scale particle transport and collision up to a time step *** plasma transport,the current scheme provides a smooth transition from particle-in-cell(PIC)method in the rarefied regime to the magnetohydrodynamic solver in the continuum *** the continuum limit,the cell size and time step of the UGKWP method are not restricted by the particle mean free path and mean collision *** the highly magnetized regime,the cell size and time step are not restricted by the Debye length and plasma cyclotron *** multiscale and asymptotic complexity diminishing properties of the scheme are verified by numerical tests in multiple flow regimes.

关键词： Unified gas-kinetic wave-particle method Multiscale modeling Gas mixture Plasma transport

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Valley physics and anomalous valley Hall effect in single-layer h−MNX (M=Ti, Zr, Hf;X=Cl, Br)

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Physical Review B 2023年第3期107卷 035416-035416页

作者： Pei Zhao Yan Liang Yandong Ma Thomas Frauenheim Department of Physics College of Information Science and Engineering Ocean University of China Qingdao 266100 China School of Physics State Key Laboratory of Crystal Materials Shandong University Shandanan Street 27 Jinan 250100 People's Republic of China Bremen Center for Computational Materials Science Universität Bremen Am Fallturm 1 28359 Bremen Germany Beijing Computational Science Research Center Beijing 100193 China and Shenzhen JL Computational Science and Applied Research Institute Shenzhen 518109 China

Recently, the valley degree of freedom of electrons in two-dimensional materials has been attracting growing attention as an information carrier. Here, on the basis of first-principles calculations, we propose a series of unique 2D valleytronic materials in single-layer h−MNX (M=Ti, Zr; Hf, X=Cl, Br) and systematically investigate their valleytronic properties. The underlying valley-contrasting physics including valley spin splitting and valley-dependent optical selection rules in single-layer h−MNX is unveiled. Moreover, we find that the intriguing valley polarization in single-layer h−MNX can be achieved through both circularly polarized light and a ferromagnetic substrate. The substrate-induced valley polarization in SL h−MNX is stacking dependent and can be enhanced by decreasing the interlayer distance. Our findings thus provide a tantalizing platform for operating the valley index in two-dimensional materials.

关键词： Electrical properties Valleytronics 2-dimensional systems

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Temperature-Dependent Chirality in Halide Perovskites

arXiv

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arXiv 2024年

作者： Pols, Mike Brocks, Geert Calero, Sofía Tao, Shuxia Materials Simulation & Modelling Department of Applied Physics and Science Education Eindhoven University of Technology Eindhoven5600 MB Netherlands Computational Chemical Physics Faculty of Science and Technology MESA+ Institute for Nanotechnology University of Twente Enschede7500 AE Netherlands

With the use of chiral organic cations in two-dimensional metal halide perovskites, chirality can be induced in the metal halide layers, which results in semiconductors with intriguing chiral optical and spin-selective transport properties. The chiral properties strongly depend upon the temperature, despite the basic crystal symmetry not changing fundamentally. We identify a set of descriptors that characterize the chirality of metal halide perovskites such as MBA2PbI4, and study their temperature dependence using molecular dynamics simulations with on-the-fly machine-learning force fields obtained from density functional theory calculations. We find that, whereas the arrangement of organic cations remains chiral upon increasing the temperature, the inorganic framework loses this property more rapidly. We ascribe this to the breaking of hydrogen bonds that link the organic with the inorganic substructures, which leads to a loss of chirality transfer. Copyright © 2024, The Authors. All rights reserved.

关键词： Hydrogen bonds

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

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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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