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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
作者:  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.
浏览  |  Adobe PDF(1760Kb)  |  收藏  |  浏览/下载：327/99  |  提交时间：2017/11/29
Molecular Dynamics  Energy Minimization  Dislocation Evolution  Computational Efficiency  
The stress-velocity relationship of twinning partial dislocations and the phonon-based physical interpretation 期刊论文
SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY, 2017, 卷号: 60, 期号: 11
作者:  Wei YJ(魏宇杰);  Peng SY(彭神佑);  Wei, YJ (reprint author), Chinese Acad Sci, Inst Mechan, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China.;  Wei, YJ (reprint author), Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China.
浏览  |  Adobe PDF(6735Kb)  |  收藏  |  浏览/下载：350/101  |  提交时间：2017/12/18
Dislocation Mobility  Transverse And Longitudinal Phonons  Subsonic And Supersonic Velocity  Stress-velocity Relationship  Molecular Dynamics  
Graphene Foam: Uniaxial Tension Behavior and Fracture Mode Based on a Mesoscopic Model 期刊论文
ACS NANO, 2017, 卷号: 11, 期号: 9, 页码: 8988-8997
作者:  Pan DX(潘斗兴);  Wang C(王超);  Wang ZQ(王自强);  Yao YG(姚裕贵);  Yao, YG (reprint author), Beijing Inst Technol, Sch Phys, Beijing Key Lab Nanophoton & Ultrafine Optoelect, Beijing 100081, Peoples R China.;  Wang, TC (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
浏览  |  Adobe PDF(318Kb)  |  收藏  |  浏览/下载：425/142  |  提交时间：2017/11/29
Mesoscopic Model  Graphene Foam  Coarse-grained Molecular Dynamics  Multipeak Stress Strain Curve  Ductile Fracture  Power Scaling Law  Multiscale Physics Mechanics  
Unveiling the Molecular Structure of Pulmonary Surfactant Corona on Nanoparticles 期刊论文
ACS NANO, 2017, 卷号: 11, 期号: 7, 页码: 6832-6842
作者:  Hu QL;  Bai X(白轩);  Hu GQ(胡国庆);  Zuo YY;  Hu, GQ (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China
浏览  |  Adobe PDF(8086Kb)  |  收藏  |  浏览/下载：495/223  |  提交时间：2017/11/29
Pulmonary Surfactant  Nanoparticle  Biomolecular Corona  Molecular Dynamics  Nanotoxicology  
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
作者:  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.
浏览  |  Adobe PDF(2771Kb)  |  收藏  |  浏览/下载：362/126  |  提交时间：2017/07/24
Cdte Quantum Dot  Band Gap  Empirical Tight Binding  Molecular Dynamics  Finite Element Method  Pressure Sensor  Laser-driven Shock Compression  
Molecular dynamics simulation of diffusion of nanoparticles in mucus 期刊论文
ACTA MECHANICA SOLIDA SINICA, 2017, 卷号: 30, 期号: 3, 页码: 241-247
作者:  Wang JL(王九令);  Shi XH(施兴华);  Shi, XH (reprint author), Chinese Acad Sci, Natl Ctr Nanosci & Technol, CAS Ctr Excellence Nanosci, CAS Key Lab Nanosyst & Hierarchy Fabricat, Beijing 100190, Peoples R China.;  Shi, XH (reprint author), Univ Chinese Acad Sci, Beijing 100049, Peoples R China.
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Nanoparticle Diffusion  Mucus Penetration  Fibrous Medium  Molecular Dynamics Simulation  Drug Delivery  
On the wurtzite to tetragonal phase transformation in ZnO nanowires 期刊论文
NANOTECHNOLOGY, 2017, 卷号: 28, 期号: 16
作者:  Wang J;  Shen YG;  Song F(宋凡);  Ke FJ(柯孚久);  廖小舟 XZ;  Lu CS(卢春生);  Wang, J (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China.
浏览  |  Adobe PDF(2183Kb)  |  收藏  |  浏览/下载：279/99  |  提交时间：2017/08/15
Zno Nanowires  Phase Transformation  Size Effect  Strain Rate  Molecular Dynamics  
Interaction between Hydroxyl Group and Water Saturated Supercritical CO2 Revealed by a Molecular Dynamics Simulation Study 期刊论文
Journal of Molecular Liquids, 2017, 卷号: 231, 页码: 185-191
作者:  Chen C;  Zhang N;  Shen WJ(沈伟军);  Li WZ;  Song YC;  Chen, C (reprint author), Dalian Univ Technol, Minist Educ, Key Lab Ocean Energy Utilizat & Energy Conservat, Dalian 116024, Peoples R China.
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Hydrogen Bond  Supercritical Co2  Molecular Dynamics Simulation  Physi-sorption  
Strengthening effects of various grain boundaries with nano-spacing as barriers of dislocation motion from molecular dynamics simulations 期刊论文
SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY, 2017, 卷号: 60, 期号: 3
作者:  Yuan FP(袁福平);  Yuan, FP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.;  Yuan, FP (reprint author), Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100190, Peoples R China.
浏览  |  Adobe PDF(2501Kb)  |  收藏  |  浏览/下载：245/107  |  提交时间：2017/07/24
Molecular Dynamics  Grain Boundary Strengthening  Dislocations  Nanoindentation  Metals  
Atomistic simulation for deforming complex alloys with application toward TWIP steel and associated physical insights 期刊论文
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS, 2017, 卷号: 98, 页码: 290-308
作者:  Wang P;  Xu SF;  Liu JB;  Li XY;  Wei YJ(魏宇杰);  Wang HT;  Gao HJ;  Yang W;  Wang, HT
浏览  |  Adobe PDF(4481Kb)  |  收藏  |  浏览/下载：1043/275  |  提交时间：2017/02/24
Molecular Dynamics Simulation  Deformation Twinning  Stacking Faults  Dislocations