搜索结果: 1-15 共查到“物理学 molecular dynamics”相关记录20条 . 查询时间(0.046 秒)
Molecular-dynamics Simulations of Stacking-fault-induced Dislocation Annihilation in Pre-strained Ultrathin Single-crystalline Copper Films
Molecular dynamics dynamic deformation metal structure
2014/12/19
We report results of large-scale molecular-dynamics (MD) simulations of dynamic deformation under biaxial tensile strain of pre-strained single-crystalline nanometerscale- thick face-centered cubic (f...
Hypervelocity Impact of the Icy Droplet on Al Shell at Nanoscale: A Molecular Dynamics Probe
hypervelocity impact molecular dynamics debris cloud icy droplet
2012/9/24
Large-scale molecular dynamics (MD) simulations are conducted to investigate the hypervelocity impact of the icy droplet on spacecraft Al shell at the atom ic level. The velocity of the droplet is se...
Molecular dynamics simulation of the recrystallization of amorphous Si layers: Comprehensive study of the dependence of the recrystallization velocity on the interatomic potential
Molecular dynamics simulation amorphous Si layers the recrystallization velocity
2011/8/3
Abstract: The molecular dynamics method is applied to simulate the recrystallization of an amorphous/crystalline silicon interface. The atomic structure of the amorphous material is constructed with t...
Solid phase epitaxy amorphous silicon re-growth: some insight from empirical molecular dynamics simulation
Nucleation and growth Theory and models of film growth
2011/9/1
The modelling of interface migration and the associated diffusion mechanisms at the nanoscale level is a challenging issue. For many technological applications ranging from nanoelectronic devices to s...
Structural Studies of Liquid Alkaline-earth Metals -A Molecular Dynamics Approach
Molecular dynamics Pair distribution function Structure factor Binding energy
2010/6/30
In the present research article we have studied various properties like binding energy, the pair distribution function g(r), the structure factor S(q), specific heat at constant volume, and coordinati...
Billiards in magnetic fields: A molecular dynamics approach
magnetic fields molecular dynamics approach
2010/4/7
We present a computational scheme based on classical molecular dynamics to study chaotic billiards in static external magnetic fields. The method allows to treat arbitrary geometries and several inter...
A Quantum Algorithm for Molecular Dynamics Simulation
Quantum Algorithm Molecular Dynamics Simulation
2010/4/9
Quantum computers could potentially simulate the dynamics of systems such as polyatomic molecules on a much larger scale than classical computers. We investigate a general quantum computational algori...
An Investigation of Temperature Effect on Phonon Dispersion Spectra of Ni by Molecular Dynamics Simulation
Molecular dynamics simulation embedded atom method phonon dispersion spectra dynamical matrix
2010/4/8
Lattice vibrations have great influences on physical and mechanical properties of materials. In this study, changes of acoustic phonon frequencies of Ni model system with temperature was investigated ...
Molecular Dynamics Study of Gases H2, D2 and
T2
molecular dynamics simulation
equation of state hydrogen and its isotope gases interaction
potential isotope mass effect
2007/8/15
2002Vol.37No.2pp.225-230DOI:
Molecular Dynamics Study of Gases H2, D2 and
T2
YANG Chuan-Lu,1 ZHU Zheng-He,2 WANG Rong,2 ZHANG Zhi-Hong,1 REN Ting-Qi,1 WANG Ming-Da,3 ZHANG Yong-M...
Molecular Dynamics Study of Effects of Si-Doping Upon
Structure and Mechanical Properties of Carbon Nanotube
molecular dynamics simulation carbon nanotubes Young's modulus Si-doping
2007/8/15
2006Vol.45No.4pp.741-744DOI:
Molecular Dynamics Study of Effects of Si-Doping Upon
Structure and Mechanical Properties of Carbon Nanotube
SONG Hai-Yang, SUN He-Ming, and ZHANG Guo...
Elastic Constants of Superconducting MgB2 from
Molecular Dynamics Simulations with Shell Model
MgB2 elastic constants shell model molecular dynamics
2007/8/15
2005Vol.44No.5pp.936-940DOI:
Elastic Constants of Superconducting MgB2 from
Molecular Dynamics Simulations with Shell Model
GUO Yun-Dong,1,2 CHEN Xiang-Rong,1,3 YANG Xiang-Dong,1 ...
A Size Effect in Grain Boundary Migration: A Molecular Dynamics Study of Bicrystal Thin Films
2007/7/28
期刊信息
篇名
A Size Effect in Grain Boundary Migration: A Molecular Dynamics Study of Bicrystal Thin Films
语种
英文
撰写或编译
撰写
作者
周浪,张豪,D. Srolovitz
第一作者单位
南昌大学,美国普林斯顿大学
刊物名称
Acta Materialia,53. 5273～5279,2005....
Molecular Dynamics Studies on Glass Formation of Pd-Ni Alloys by Rapid Quenching
Molecular dynamics metallic glass glass transition fragility and Wendt-Abraham parameter
2010/4/9
The rapid solidification of Pd-Ni alloys is studied with the constant-pressure and constant-temperature (TPN) and the constant-volume and constant-temperature (TVN) molecular dynamics technique to obt...
Molecular Dynamics Study of Thermal Properties of Intermetallic Alloys
Molecular dynamics Sutton-Chen potential intermetallic alloys thermophysical properties
2010/4/9
Molecular dynamics simulations of bulk copper, gold pure metals and their ordered intermetallics alloys of Cu3Au(L12) and CuAu3(L12) have been carried out between above 0 K and below the their melting...
A Molecular Dynamics Study of the Static Structure, Thermodynamic and Transport Properties of Liquid Iron Using the Modified Analytic Embedded Atom Method
liquid iron modified analytic embedded atom method molecular dynamics
2010/4/9
Using the modified analytic embedded atom method (MAEAM), we have carried out molecular dynamics (MD) simulation to compute structure,thermodynamic and transport properties of liquid iron. The Foiles ...