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Molecular dynamics simulation of helium ion implantation into silicon and its migration 期刊论文
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2019, 卷号: 456, 页码: 53-59
Authors:  Liu L;  Xu ZW;  Li RR;  Zhu R;  Xu J;  Zhao JL;  Wang C(王超);  Nordlund K;  Fu X;  Fang FZ
Favorite  |  View/Download:11/0  |  Submit date:2019/10/14
Molecular dynamics simulation  Ion implantation  Helium  Si  Annealing  
关于非均匀系统局部平均压力张量的推导及对均匀流体的分析 期刊论文
物理学报/ACTA PHYSICA SINICA, 2019, 卷号: 68, 期号: 15, 页码: 293-308
Authors:  崔树稳;  刘伟伟;  朱如曾;  钱萍
Favorite  |  View/Download:31/0  |  Submit date:2019/09/09
维里定理  Virial theorem  分子动力学模拟  molecular dynamics simulation  表面张力  surface tension  局部压力张量  local pressure tensor  位形压力  configuration pressure  
Mechanical peeling of van der Waals heterostructures: Theory and simulations 期刊论文
EXTREME MECHANICS LETTERS, 2019, 卷号: 30, 页码: 11
Authors:  Lin H(林慧);  Zhao YP(赵亚溥)
View  |  Adobe PDF(4323Kb)  |  Favorite  |  View/Download:33/12  |  Submit date:2019/09/09
van der Waals heterostructures  Mechanical peeling  Density functional theory  Molecular dynamics simulation  Elasto-peeling length  
Nanoparticle Ligand Exchange and Its Effects at the Nanoparticle-Cell Membrane Interface 期刊论文
NANO LETTERS, 2019, 卷号: 19, 期号: 1, 页码: 8-18
Authors:  Wang XY;  Wang XF;  Bai X(白轩);  Yan L;  Liu T;  Wang MZ;  Song YT;  Hu GQ(胡国庆);  Gu ZJ;  Miao Q(苗青);  Chen CY
View  |  Adobe PDF(2718Kb)  |  Favorite  |  View/Download:50/1  |  Submit date:2019/01/09
Nanoparticles  surface ligand exchange  nanoparticle-cell membrane interface  nanoparticle-biological effects  molecular dynamics simulation  
Approximate expression of Young's equation and molecular dynamics simulation for its applicability 期刊论文
CHINESE PHYSICS B, 2019, 卷号: 28, 期号: 1, 页码: AR16801
Authors:  Cui SW;  Wei J;  Liu WW;  Zhu RC(朱如曾);  Ping Q
View  |  Adobe PDF(573Kb)  |  Favorite  |  View/Download:41/1  |  Submit date:2019/04/11
molecular dynamics simulation  Young's equation  surface tension  Zhu-Qian approximate formula of Young's equation  
Dissolutive flow in nanochannels: transition between plug-like and Poiseuille-like 期刊论文
MICROFLUIDICS AND NANOFLUIDICS, 2018, 卷号: 22, 期号: 12, 页码: Ar-141
Authors:  Miao Q;  Yuan QZ(袁泉子);  Zhao YP(赵亚溥)
View  |  Adobe PDF(2125Kb)  |  Favorite  |  View/Download:104/9  |  Submit date:2018/12/12
Dissolutive flow  Nanochannels  Transport properties  Molecular dynamics simulation  
Study on mechanical properties of polyethylene with chain branching in atomic scale by molecular dynamics simulation 期刊论文
MOLECULAR SIMULATION, 2018, 卷号: 44, 期号: 12, 页码: 1016-1024
Authors:  Liao LJ(廖丽涓);  Meng CY(孟昶宇);  Huang CG(黄晨光)
View  |  Adobe PDF(4212Kb)  |  Favorite  |  View/Download:83/13  |  Submit date:2018/07/17
Chain Branching  Polyethylene (Pe)  Mechanical Properties  Molecular Dynamics (Md) Simulation  Atomic Scale  
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
Authors:  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.
View  |  Adobe PDF(2280Kb)  |  Favorite  |  View/Download:48/17  |  Submit date:2017/11/29
Nanoparticle Diffusion  Mucus Penetration  Fibrous Medium  Molecular Dynamics Simulation  Drug Delivery  
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
Authors:  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.
View  |  Adobe PDF(1464Kb)  |  Favorite  |  View/Download:234/46  |  Submit date:2017/05/10
Hydrogen Bond  Supercritical Co2  Molecular Dynamics Simulation  Physi-sorption  
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
Authors:  Wang P;  Xu SF;  Liu JB;  Li XY;  Wei YJ(魏宇杰);  Wang HT;  Gao HJ;  Yang W;  Wang, HT
View  |  Adobe PDF(4481Kb)  |  Favorite  |  View/Download:191/41  |  Submit date:2017/02/24
Molecular Dynamics Simulation  Deformation Twinning  Stacking Faults  Dislocations