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Accelerated Molecular Statics Based on Atomic Inertia Effect 期刊论文
COMMUNICATIONS IN COMPUTATIONAL PHYSICS, 2020, 卷号: 28, 期号: 3, 页码: 1019-1037
Authors:  Shuang F(双飞);  Xiao P(肖攀);  Bai YL(白以龙);  Ke FJ(柯孚久)
Favorite  |  View/Download:23/0  |  Submit date:2020/08/31
Molecular statics  energy minimization  local optimization  efficiency improvement  
Influence of integration formulations on the performance of the fast inertial relaxation engine (FIRE) method 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 156, 页码: 135-141
Authors:  Shuang F(双飞);  Xiao P(肖攀);  Shi RH;  Ke FJ(柯孚久);  Bai YL(白以龙)
View  |  Adobe PDF(5768Kb)  |  Favorite  |  View/Download:81/6  |  Submit date:2019/04/11
Energy minimization  Fast inertial relaxation engine method  Integration formulations  Molecular simulations  
Efficiency and fidelity of molecular simulations relevant to dislocation evolutions 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 139, 页码: 266-272
Authors:  Shuang F(双飞);  Xiao P(肖攀);  Ke FJ(柯孚久);  Bai YL(白以龙);  Xiao, P (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
View  |  Adobe PDF(1760Kb)  |  Favorite  |  View/Download:170/35  |  Submit date:2017/11/29
Molecular Dynamics  Energy Minimization  Dislocation Evolution  Computational Efficiency  
Molecular statistical thermodynamics - A distinct and efficient numerical approach to quasi-static analysis of nanomaterials at finite temperature 期刊论文
Composites Part B-Engineering, 2012, 卷号: 43, 期号: 1, 页码: 57-63
Authors:  Xiao P(肖攀);  Wang J(王军);  Ke FJ(柯孚久);  Bai YL(白以龙)
Adobe PDF(1262Kb)  |  Favorite  |  View/Download:794/223  |  Submit date:2012/12/04
Free-energy-minimization  Elastic Properties  Size  Defects  Solids  Nanowires  Mechanics  Nano-structures  Mechanical Properties  Computational Modeling  Micro-mechanics  
Acta Mechanica Solida Sinica, 2011, 卷号: 24, 期号: 1, 页码: 92-100
Authors:  Tan H(谭浩);  Wang HY(汪海英);  Xia MF(夏蒙棼);  Ke FJ(柯孚久);  Bai YL(白以龙);  Wang, HY (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China
Adobe PDF(900Kb)  |  Favorite  |  View/Download:764/186  |  Submit date:2012/04/01
Self-adaptive  Slip Shear Deformation  Particle Method Approximation  Refinement Criterion  Switching Criterion  Free-energy-minimization  Molecular-dynamics  Continuum Models  Element  Solids  
Numerical simulation of thermal destruction of POPs agents in a reductive plasma-arc reactor and steam injected for syngas recovery 会议论文
27th Annual International Conference on Thermal Treatment Technologies 2008, Montreal, QC, Canada, May 12, 2008 - May 16, 2008
Authors:  Tian JG(田君国);  Li YJ(李要建);  Wang R(王蕊);  Xu YX(徐永香);  Sheng HZ(盛宏至)
View  |  Adobe PDF(306Kb)  |  Favorite  |  View/Download:128/16  |  Submit date:2017/06/01
Energy Recovery  Equilibrium  Gibbs Free Energy Minimization  Pops  Syngas