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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...
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 ...
Temperature Dependent Structure of Low Index Copper Surfaces Studied by Molecular Dynamics Simulation
Temperature Dependent Structure Low Index Copper Surfaces Molecular Dynamics Simulation
2010/10/19
The thermal behavior of the (010), (110) and (111) copper surfaces is studied by molecular dynamics simulation. We have used a many-body potential based on the tight-binding model in order to describe...