Crystal growth study using combination of molecular dynamics and Monte Carlo methods |
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Authors: | Masao Doyama |
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Affiliation: | (1) Department of Materials, Teikyo University of Science and Technology, 409-0193 Uenohara, Yamanashi, Japan |
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Abstract: | Molecular dynamics method although provides details of energies of the system as a function of time, is not suited to simulate
the processes involving activation processes. Therefore, we attempted to combine the molecular dynamics and Monte Carlo methods.
Using molecular dynamics, the energies of the system were calculated which were subsequently combined with Monte Carlo method
using random numbers, epitaxial growth of (111) plane of copper, silver, and gold. While surface adsorption and surface diffusion
for copper, silver, and gold were simulated by use of molecular dynamics method, the relation between the growth rate of thin
films and the packing density of atoms were obtained using Monte Carlo simulation. Thus, by combining the results of the molecular
dynamics method and the Monte Carlo method the growth process of thin films at elevated temperatures were obtained, which
is too tedious to be calculated by molecular dynamics alone. |
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Keywords: | Homoepitaxial growth thin films embedded-atom method |
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