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Theoretical Exploration of Properties of Iron-Silicon Interface Constructed by Depositing Fe on Si(111)-(7x7) 期刊论文
MOLECULES, 2023, 卷号: 28, 期号: 20, 页码: 13
作者:  Yin, JunQing;  Zhang, YanPing;  You, Yong;  Wang, ZhenHua;  Zhao, JianQiang;  Peng Q(彭庆)
Adobe PDF(5466Kb)  |  收藏  |  浏览/下载：62/2  |  提交时间：2023/11/28
iron  Si(111)-(7x7)  iron-silicon interface  CO adsorption  density functional theory  
Novel atomic-scale mechanism of incipient plasticity in a chemically complex CrCoNi medium-entropy alloy associated with inhomogeneity in local chemical environment 期刊论文
ACTA MATERIALIA, 2020, 卷号: 194, 页码: 283-294
作者:  Cao FH(曹富华);  Wang YJ(王云江);  Dai LH(戴兰宏)
Adobe PDF(6678Kb)  |  收藏  |  浏览/下载：450/234  |  提交时间：2020/08/26
Dislocation nucleation  Medium-entropy alloy  Local chemical order  Molecular dynamics  Density functional theory  
Mechanical peeling of van der Waals heterostructures: Theory and simulations 期刊论文
EXTREME MECHANICS LETTERS, 2019, 卷号: 30, 页码: 11
作者:  Lin H(林慧);  Zhao YP(赵亚溥)
浏览  |  Adobe PDF(4323Kb)  |  收藏  |  浏览/下载：373/172  |  提交时间：2019/09/09
van der Waals heterostructures  Mechanical peeling  Density functional theory  Molecular dynamics simulation  Elasto-peeling length  
Direct atomic-scale evidence for shear-dilatation correlation in metallic glasses 期刊论文
SCRIPTA MATERIALIA, 2016, 卷号: 112, 页码: 37-41
作者:  Wang YJ;  Jiang MQ(蒋敏强);  Tian ZL;  Dai LH(戴兰宏);  Wang, YJ (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
浏览  |  Adobe PDF(1186Kb)  |  收藏  |  浏览/下载：338/129  |  提交时间：2016/01/08
Metallic Glasses  Shear-dilatation  Molecular Dynamics  Density Functional Theory  
Total energy equation leading to exchange-correlation functional 期刊论文
Science China-Physics Mechanics & Astronomy, 2015, 卷号: 58, 期号: 5, 页码: 54601
作者:  Liu F(刘峰);  Wang ZQ(王自强);  Wang, TC (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
浏览  |  Adobe PDF(413Kb)  |  收藏  |  浏览/下载：456/79  |  提交时间：2015/06/11
Density-functional Theory  Exchange-correlation Functional  Bulk Modulus  Band Structure  Aluminum  Silicon  
Grain misorientation and grain-boundary rotation dependent mechanical properties in polycrystalline graphene 期刊论文
JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS, 2013, 卷号: 61, 期号: 6, 页码: 1421-1432
作者:  Wu JT(吴江涛);  Wei YJ(魏宇杰);  Wei, YJ (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China
Adobe PDF(3103Kb)  |  收藏  |  浏览/下载：1831/795  |  提交时间：2013/03/06
Polycrystalline Graphene  Grain Misorientation  Grain Boundary Rotation  Disclination  Density Functional Theory Calculation  
Bending rigidity and Gaussian bending stiffness of single-layered graphene 期刊论文
NANO LETTERS, 2013, 卷号: 13, 期号: 1, 页码: 26-30
作者:  Wei YJ(魏宇杰);  Wang BL(王宝林);  Wu JT(吴江涛);  Yang RG;  Dunn ML;  Wei, YJ (reprint author), Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China.
Adobe PDF(1119Kb)  |  收藏  |  浏览/下载：1953/631  |  提交时间：2013/03/07
Bending Rigidity  Gaussian Bending Stiffness  Graphene  Helfrich Hamiltonian  Density Functional Theory  
A density functional study of zinc oxide elastic properties under high pressure 会议论文
IUTAM Symposium on Surface Effects in the Mechanics of Nanomaterials and Heterostructures, Beijing, China, AUG 8-12, 2010
作者:  Wang BB(王斌斌);  Zhao YP(赵亚溥)
浏览  |  Adobe PDF(872Kb)  |  收藏  |  浏览/下载：679/246  |  提交时间：2014/03/04
Zno  Elastic Properties  Density Functional Theory (Dft)  Multi-scale Simulation  
A new method for the determination of surface tension from molecular dynamics simulations applied to liquid droplets 期刊论文
Chinese Physics B, 2011, 卷号: 20, 期号: 1, 页码: 16801
作者:  Zhu RC(朱如曾);  Yan H(闫红);  Zhu, RZ (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China
Adobe PDF(285Kb)  |  收藏  |  浏览/下载：966/256  |  提交时间：2012/04/01
Surface Tension  Pressure Tensor  Molecular Dynamics Simulation  Equimolar Surface  Monte-carlo Simulations  Density-functional Theory  Lennard-jones Fluid  Statistical-mechanics  Interface  Polymers  Pores  Systems  
First principles based predictions of the toughness of a metal/oxide interface 会议论文
7th International Workshop on Interfaces - New materials Via Interfacial Control, Santiago de Compostela, SPAIN, JUN 22-26, 2008
作者:  Jiang Y;  Wei YG(魏悦广);  Smith JR;  Hutchinson JW;  Evans AG
Adobe PDF(1249Kb)  |  收藏  |  浏览/下载：888/191  |  提交时间：2009/07/23
Toughness  Interface  Density Functional Theory  Multi-scale Modeling  Cohesive Zone  Thermal Barrier Systems  Plasticity  Decohesion  Separation  Adhesion  Ni/al2o3