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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)
Adobe PDF(989Kb)  |  Favorite  |  View/Download：265/57  |  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：621/110  |  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：363/115  |  Submit date：2017/11/29
Molecular Dynamics  Energy Minimization  Dislocation Evolution  Computational Efficiency  
Deformation-induced blueshift in emission spectrum of CdTe quantum dot composites 期刊论文
COMPOSITES PART B-ENGINEERING, 2017, 卷号: 120, 页码: 54-62
Authors:  Xiao P(肖攀);  Ke FJ(柯孚久);  Bai YL(白以龙);  Zhou M;  Zhou, M (reprint author), Georgia Inst Technol, George W Woodruff Sch Mech Engn, Sch Mat Sci & Engn, Atlanta, GA 30332 USA.
View  |  Adobe PDF(2771Kb)  |  Favorite  |  View/Download：396/136  |  Submit date：2017/07/24
Cdte Quantum Dot  Band Gap  Empirical Tight Binding  Molecular Dynamics  Finite Element Method  Pressure Sensor  Laser-driven Shock Compression  
Transition of mechanisms underlying the rate effects and its significance 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2015, 卷号: 98, 页码: 70-75
Authors:  Xiao P(肖攀);  Wang J(王军);  Yang R(杨荣);  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(1741Kb)  |  Favorite  |  View/Download：288/93  |  Submit date：2015/03/17
Strain Rate Effect  Molecular Dynamics  Thermal Activation Model  Potential Landscapes  
Rate effect and coupled evolution of atomic motions and potential landscapes 期刊论文
ACTA MECHANICA SINICA, 2013, 卷号: 29, 期号: 5, 页码: 676-681
Authors:  Xiao P(肖攀);  Wang J(王军);  Yang R(杨荣);  Ke FJ(柯孚久);  Xia MF(夏蒙棼);  Bai YL(白以龙);  Bai, YL (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China.
Adobe PDF(387Kb)  |  Favorite  |  View/Download：840/244  |  Submit date：2013/11/06
Strain Rate Effect  Atomic Motions  Potential Landscape  Molecular Simulation  
Self-healing in fractured GaAs nanowires 期刊论文
Acta Materialia, 2012, 卷号: 60, 期号: 15, 页码: 5593-5600
Authors:  Wang J(王军);  Lu CS(卢春生);  Wang Q;  Xiao P(肖攀);  Ke FJ(柯孚久);  Bai YL(白以龙);  Shen YG;  Wang YB;  Chen B;  Liao XZ;  Gao HJ;  Lu, CS;  Curtin Univ Technol, Dept Mech Engn, Perth, WA 6845, Australia.
Adobe PDF(2522Kb)  |  Favorite  |  View/Download：1274/366  |  Submit date：2013/01/18
Gaas Nanowires  Self-healing  Size Effect  Multiple Healing  Molecular Dynamics  Resolution Electron-microscopy  Zinc-oxide Nanocrystallites  Ambient-temperature  Molecular-dynamics  Gold Nanowires  Zno Nanowires  Polymers  Behavior  Size  
Self-healing of fractured one-dimensional brittle nanostructures 期刊论文
EPL, 2012, 卷号: 98, 期号: 1, 页码: 16010
Authors:  Wang J(王军);  Lu CS(卢春生);  Wang Q;  Xiao P(肖攀);  Ke FJ(柯孚久);  Bai YL(白以龙);  Shen YG;  Wang YB;  Liao XZ;  Gao HJ;  Wang, J;  Curtin Univ Technol, Dept Mech Engn, Perth, WA 6845, Australia.
Adobe PDF(1053Kb)  |  Favorite  |  View/Download：1084/277  |  Submit date：2013/01/18
Resolution Electron-microscopy  Zinc-oxide Nanocrystallites  Gaas Nanowires  Ambient-temperature  Molecular-dynamics  Behavior  Gold  Zno  
Influence of microstructures on mechanical behaviours of SiC nanowires: a molecular dynamics study 期刊论文
NANOTECHNOLOGY, 2012, 卷号: 23, 期号: 2, 页码: 025703
Authors:  Wang J(王军);  Lu CS(卢春生);  Wang Q;  Xiao P(肖攀);  Ke FJ(柯孚久);  Bai YL(白以龙);  Shen YG;  Liao XZ;  Gao HJ(高华健)
View  |  Adobe PDF(2723Kb)  |  Favorite  |  View/Download：1506/469  |  Submit date：2013/01/04
Nanowire  Sic  Microstructure  Mechanical Behaviour  Molecular Dynamic  Behaviour  Mechanical  Dynamic  Formula See  Molecular  Intergranular  Influence  See Text  Grain  Brittleness  
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：983/287  |  Submit date：2012/12/04
Free-energy-minimization  Elastic Properties  Size  Defects  Solids  Nanowires  Mechanics  Nano-structures  Mechanical Properties  Computational Modeling  Micro-mechanics