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Using graphene to simplify the adsorption of methane on shale in MD simulations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 133, 页码: 99-107
Authors:  Lin K;  Yuan QZ(袁泉子);  Zhao YP(赵亚溥);  Zhao, YP (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
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Graphene  Shale  Adsorption Isotherms  Adsorption Heat  Simulations  
Negative differential resistance behavior of silicon monatomic chain encapsulated in carbon nanotubes 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2012, 卷号: 62, 页码: 87-92
Authors:  Zhang YY(张营营);  Wang FC(王奉超);  Zhao YP(赵亚溥);  Zhao, YP;  Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
Adobe PDF(1095Kb)  |  Favorite  |  View/Download：972/289  |  Submit date：2013/01/18
Silicon Monatomic Chain  Size-selective Encapsulation  Electronic Transport Properties  Negative Differential Resistance  Transmission Spectrum  Field-effect Transistors  Single  Nanowires  Simulations  
First principle study of the interaction and charge transfer between graphene and organic molecules 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2012, 卷号: 56, 页码: 79-84
Authors:  Chi M(迟美);  Zhao YP(赵亚溥);  Zhao, YP;  Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
Adobe PDF(867Kb)  |  Favorite  |  View/Download：1548/962  |  Submit date：2013/01/18
First Principle Study  Graphene  Organic Molecules  Adsorption  Epitaxial Graphene  Suspended Graphene  Gas  
Atomistic Simulation On Size-Dependent Yield Strength And Defects Evolution Of Metal Nanowires 期刊论文
Computational Materials Science, 2009, 页码: 142-150
Authors:  Yang ZY(杨振宇);  Lu ZX(卢子兴);  Zhao YP(赵亚溥);  Zhao YP
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Molecular Dynamics (Md)  Modified Embedded Atom Method (Meam)  Nanowires  Size-dependent  Yield Strength  Molecular-dynamics Simulation  Gold Nanowires  Elastic Properties  Tensile Behavior  Surface-stress  Deformation  Ni  Amorphization  System  Strain  
A comparative study of Young's modulus of single-walled carbon nanotube by CPMD, MD, and first principle simulations 期刊论文
Computational Materials Science, 2009, 卷号: 46, 期号: 3, 页码: 621-625
Authors:  Zang JL(臧金良);  Yuan QZ(袁泉子);  Wang FC(王奉超);  Zhao YP(赵亚溥)
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Adsorption of formaldehyde molecule on the intrinsic and Al-doped graphene: a first principle study 期刊论文
Computational Materials Science, 2009, 卷号: 46, 期号: 4, 页码: 1085-1090
Authors:  Chi M(迟美);  Zhao YP(赵亚溥)
Adobe PDF(1053Kb)  |  Favorite  |  View/Download：1132/364  |  Submit date：2009/12/28