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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
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.
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Submit date: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
Authors:
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.
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Submit date: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
Authors:
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.
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Submit date: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
Authors:
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
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Submit date: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
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.
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Submit date: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
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.
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Submit date:2017/11/29
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
Authors:
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.
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Submit date:2017/08/15
Zno Nanowires
Phase Transformation
Size Effect
Strain Rate
Molecular Dynamics
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
Authors:
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.
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Submit date:2017/07/24
Molecular Dynamics
Grain Boundary Strengthening
Dislocations
Nanoindentation
Metals
Effects of oxygen vacancies on polarization stability of barium titanate
期刊论文
SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY, 2016, 卷号: 59, 期号: 3, 页码: 634602
Authors:
Wang J(王军)
;
Shen YG
;
Song F(宋凡)
;
Ke FJ(柯孚久)
;
Bai YL(白以龙)
;
Lu CS
;
Ke, FJ (reprint author), Beihang Univ, Sch Phys & Nucl Energy Engn, Beijing 100191, Peoples R China.
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Submit date:2016/03/21
Ferroelectricity
Hysteresis
Oxygen Vacancy
Molecular Dynamics Simulation
A molecular dynamics investigation of the deformation mechanism and shape memory effect of epoxy shape memory polymers
期刊论文
SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY, 2016, 卷号: 59, 期号: 3, 页码: 634601
Authors:
Yang H
;
Wang ZD
;
Guo YF
;
Shi XH(施兴华)
;
Guo, YF (reprint author), Beijing Jiaotong Univ, Inst Engn Mech, Beijing 100044, Peoples R China.
;
Shi, XH (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
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Submit date:2016/03/21
Shape Memory Polymer
Molecular Dynamics Simulation
Thermomechanics