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CONTINUUM: 作品数：510被引量：667H指数：10; 导出分析报告; 相关领域：理学更多>>; 相关作者：过惠平赵晶谢晓峰赵成明张亮更多>>; 相关机构：飞思卡尔半导体(中国)有限公司施耐德电气有限公司第二炮兵工程学院北京师范大学更多>>; 相关期刊：更多>>; 相关基金：国家自然科学基金国家重点基础研究发展计划中国博士后科学基金国家教育部博士点基金更多>>

Efficient Flexible Boundary Conditions for Long Dislocations: 《Communications in Computational Physics》2022年第8期671-714,共44页M.Hodapp; Financial support from the Fonds National Suisse(FNS),Switzerland,(project 191680)is highly acknowledged.; We present a novel efficient implementation of the flexible boundary condition(FBC)method,initially proposed by Sinclair et al.,for large single-periodic problems.Efficiency is primarily achieved by constructing a hie...; 关键词：Atomistic/continuum coupling flexible boundary conditions local/global coupling lattice Green functions hierarchical matrices dislocations

A Posteriori Error Estimate and Adaptive Mesh Refinement Algorithm for Atomistic/Continuum Coupling with Finite Range Interactions in Two Dimensions: 《Communications in Computational Physics》2020年第1期198-226,共29页Mingjie Liao Ping Lin Lei Zhang; supported by National Natural Science Foundation of China grant 11861131004,11771040,91430106;supported by Natural Science Foundation of China grant 11871339,11861131004,11571314,11471214 and the One Thousand Plan of China for young scientists.; In this paper,we develop the residual based a posteriori error estimates and the corresponding adaptive mesh refinement algorithm for atomistic/continuum(a/c)coupling with finite range interactions in two dimensions.W...; 关键词：Atomistic models coarse graining atomistic-to-continuum coupling quasicontin-uum method a posteriori error estimate

A Stabilized Finite Element Method for Modified Poisson-Nernst-Planck Equations to Determine Ion Flow Through a Nanopore: 《Communications in Computational Physics》2014年第1期93-125,共33页Jehanzeb Hameed Chaudhry Jeffrey Comer Aleksei Aksimentiev Luke N.Olson; The conventional Poisson-Nernst-Planck equations do not account for the finite size of ions explicitly.This leads to solutions featuring unrealistically high ionic concentrations in the regions subject to external pot...; 关键词：Steric effects nucleic acids ionic current continuum transport theory ion channels PNP SUPG finite element method.

A Unified Gas-Kinetic Scheme for Continuum and Rarefied Flows III:Microflow Simulations被引量：5: 《Communications in Computational Physics》2013年第10期1147-1173,共27页Juan-Chen Huang Kun Xu Pubing Yu; Hong Kong Research Grant Council(621709,621011)and grants SRFI11SC05 and RPC10SC11 atHKUST.J.C.Huang was supported by National Science Council of Taiwan through grant No.NSC 100-2221-E-019-048-MY3.; Due to the rapid advances inmicro-electro-mechanical systems(MEMS),the study of microflows becomes increasingly important.Currently,the molecular-based simulation techniques are the most reliable methods for rarefied ...; 关键词：Unified scheme non-equilibrium microflow thermal creep flows

A Modified Nonlocal Continuum Electrostatic Model for Protein in Water and Its Analytical Solutions for Ionic Born Models被引量：1: 《Communications in Computational Physics》2013年第1期174-194,共21页Dexuan Xie Hans W.Volkmer; partially supported by the National Science Foundation,USA,through grant DMS-0921004.; A nonlocal continuum electrostatic model,defined as integro-differential equations,can significantly improve the classic Poisson dielectric model,but is too costly to be applied to large protein simulations.To sharply...; 关键词：Nonlocal continuum electrostatic models Poisson dielectric equations protein-water interface problem nonlocal ionic Born models

Quantum Dynamics in Continuum for Proton Transport I:Basic Formulation: 《Communications in Computational Physics》2013年第1期285-324,共40页Duan Chen Guo-Wei Wei; supported in part by NSF grant CCF-0936830;NIH grant R01GM-090208;MSU Competitive Discretionary Funding Program grant 91-4600.; Proton transport is one of the most important and interesting phenomena in living cells.The present work proposes a multiscale/multiphysics model for the understanding of the molecular mechanism of proton transport in...; 关键词：Proton transport quantum dynamics in continuum multiscale model PoissonBoltzmann equation generalized Kohn-Sham equation variational principle

A Unified Gas-Kinetic Scheme for Continuum and Rarefied Flows Ⅱ:Multi-Dimensional Cases被引量：9: 《Communications in Computational Physics》2012年第8期662-690,共29页Juan-Chen Huang Kun Xu Pubing Yu; supported by Hong Kong Research Grant Council 621709 and 621011,National Natural Science Foundation of China(Project No.10928205);National Key Basic Research Program(2009CB724101);J.C.Huang was supported by National Science Council of Taiwan through grant no.NSC 100-2221-E-019-048-MY3。; With discretized particle velocity space,a multi-scale unified gas-kinetic scheme for entire Knudsen number flows has been constructed based on the kinetic model in one-dimensional case[J.Comput.Phys.,vol.229(2010),pp...; 关键词：Unified scheme non-equilibrium flow Navier-Stokes solution

Dynamical Coupling Atomistic and Continuum Simulations: 《Communications in Computational Physics》2011年第10期1305-1314,共10页Guowu Ren Dier Zhang Xin-Gao Gong; supported by the National Science Foundation of China,the special funds for major state basic research,and Shanghai municipality and MOE.The computations were performed at Fudan Supercomputer Center.; We propose a newmultiscalemethod that couplesmolecular dynamics simulations(MD)at the atomic scale and finite element simulations(FE)at the continuum regime.By constructing the mass matrix and stiffness matrix depende...; 关键词：Multiscale method finite element phonon filter method

Bridging Methods for Atomistic-to-Continuum Coupling and Their Implementation: 《Communications in Computational Physics》2010年第4期831-876,共46页Pablo Seleson Max Gunzburger; This work was supported by the Department of Energy under grant number DE-FG02-05ER25698.; Several issues connected with bridging methods for atomistic-to-continuum(AtC)coupling are examined.Different coupling approaches using various energy blending models are studied as well as the influence that model pa...; 关键词：Multiscale modeling atomistic-to-continuum coupling boundary treatment

Hydrophobic Effect in a Continuum Model of the Lipid Bilayer: 《Communications in Computational Physics》2009年第8期655-672,共18页Phillip L.Wilson Huaxiong Huang Shu Takagi; We study a continuum paradigm of the lipid bilayer based on minimizing the free energy of a mixture of water and lipid molecules.This paper extends previous work of Blom and Peletier[European J.Appl.Math.,15(2004),pp....; 关键词：Lipid bilayer free energy continuum model numerical minimization

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