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Shock-induced plasticity and damage in single-crystalline Cu at elevated temperatures by molecular dynamics simulations 期刊论文
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, 2020, 卷号: 158, 页码: 17
作者:  Tian, Xia;  Cui, Junzhi;  Ma, Kaipeng;  Xiang, Meizhen
收藏  |  浏览/下载：162/0  |  提交时间：2020/09/23
Shock response  Temperature effects  Dislocation density  Spalling  Melting  Molecular dynamics simulations  
Recent developments in the ABINIT software package 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2016, 卷号: 205, 页码: 106-131
作者:  Gonze, X.;  Jollet, F.;  Araujo, F. Abreu;  Adams, D.;  Amadon, B.;  Applencourt, T.;  Audouze, C.;  Beuken, J. -M.;  Bieder, J.;  Bokhanchuk, A.;  Bousquet, E.;  Bruneval, F.;  Caliste, D.;  Cote, M.;  Dahm, F.;  Da Pieve, F.;  Delaveau, M.;  Di Gennaro, M.;  Dorado, B.;  Espejo, C.;  Geneste, G.;  Genovese, L.;  Gerossier, A.;  Giantomassi, M.;  Gillet, Y.;  Hamann, D. R.;  He, L.;  Jomard, G.;  Janssen, J. Laflamme;  Le Roux, S.;  Levitt, A.;  Lherbier, A.;  Liu, F.;  Lukacevic, I.;  Martin, A.;  Martins, C.;  Oliveira, M. J. T.;  Ponce, S.;  Pouillon, Y.;  Rangel, T.;  Rignanese, G. -M.;  Romero, A. H.;  Rousseau, B.;  Rubel, O.;  Shukri, A. A.;  Stankovski, M.;  Torrent, M.;  Van Setten, M. J.;  Van Troeye, B.;  Verstraete, M. J.;  Waroquiers, D.;  Wiktor, J.;  Xu, B.;  Zhou, A.;  Zwanziger, J. W.
收藏  |  浏览/下载：141/0  |  提交时间：2018/07/30
First-principles calculation  Electronic structure  Density Functional Theory  Many-Body Perturbation Theory  
A Relation for Nanodroplet Diffusion on Smooth Surfaces 期刊论文
SCIENTIFIC REPORTS, 2016, 卷号: 6, 页码: 8
作者:  Li, Chu;  Huang, Jizu;  Li, Zhigang
收藏  |  浏览/下载：97/0  |  提交时间：2018/07/30
An Efficient Multigrid Method for Molecular Mechanics Modeling in Atomic Solids 期刊论文
COMMUNICATIONS IN COMPUTATIONAL PHYSICS, 2011, 卷号: 10, 期号: 1, 页码: 70-89
作者:  Chen, Jingrun;  Ming, Pingbing
收藏  |  浏览/下载：95/0  |  提交时间：2018/07/30
Multigrid method  linear-scaling algorithm  Cauchy-Born rule  nanoindentation  
Investigations on the deformation behavior of polycrystalline Cu nanowires and some factors affecting the modulus and yield strength 期刊论文
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2010, 卷号: 18, 期号: 5, 页码: 20
作者:  Tian, Xia;  Cui, Junzhi;  Li, Bowen;  Xiang, Meizhen
收藏  |  浏览/下载：101/0  |  提交时间：2018/07/30
Atomistic Simulations on the Mechanical Behavior of Single-Crystalline Cu Nanowires Under Bending and Torsion Loads 期刊论文
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE, 2010, 卷号: 7, 期号: 6, 页码: 1194-1200
作者:  Tian, Xia;  Cui, Junzhi;  Xiang, Meizhen
收藏  |  浏览/下载：68/0  |  提交时间：2018/07/30
Single-Crystalline Cu Nanowires  Bending  Torsion  Plastic Deformation Mechanism  Dislocation  Deformation Twin  
AFMPB: An adaptive fast multipole, Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems 期刊论文
COMPUTER PHYSICS COMMUNICATIONS, 2010, 卷号: 181, 期号: 6, 页码: 1150-1160
作者:  Lu, Benzhuo;  Cheng, Xiaolin;  Huang, Jingfang;  McCammon, J. Andrew
收藏  |  浏览/下载：125/0  |  提交时间：2018/07/30
Poisson-Boltzmann equation  Boundary integral equation  Node-patch method  Krylov subspace methods  Fast multipole methods  Diagonal translations  
A computational study of ion conductance in the KcsA K+ channel using a Nernst-Planck model with explicit resident ions 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2009, 卷号: 131, 期号: 21, 页码: 10
作者:  Jung, Yong-Woon;  Lu, Benzhuo;  Mascagni, Michael
收藏  |  浏览/下载：95/0  |  提交时间：2018/07/30
Enzymatic Activity versus Structural Dynamics: The Case of Acetylcholinesterase Tetramer 期刊论文
BIOPHYSICAL JOURNAL, 2009, 卷号: 97, 期号: 3, 页码: 897-905
作者:  Gorfe, Alemayehu A.;  Lu, Benzhuo;  Yu, Zeyun;  McCammon, J. Andrew
收藏  |  浏览/下载：103/0  |  提交时间：2018/07/30
Precursor simulations in spreading using a multi-mesh adaptive finite element method 期刊论文
JOURNAL OF COMPUTATIONAL PHYSICS, 2009, 卷号: 228, 期号: 5, 页码: 1380-1390
作者:  Di, Yana;  Wang, Xiao-Ping
收藏  |  浏览/下载：80/0  |  提交时间：2018/07/30
Multi-mesh  Adaptive finite element  Wetting and spreading  Precursor film  Diffuse-interface model