Molecular dynamics simulations of liquid IV-IV alloys

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概要

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• The partial structure factors of liquid Ge-Sn and Ge-Si are important for the modeling of diffusion phenomena in these liquid alloys. These partial structure factors were calculated by using two kinds of molecular dynamic simulations, ab initio molecular dynamics simulation and classical molecular dynamics simulation with the Stellinger-Weber interatomic potential. Total structure factors obtained from these molecular dynamics simulations and neutron scattering experiments are in good agreement with each other.

• 宇宙航空研究開発機構の論文

著者

• MASAKI Tadahiko

  Japan Aerospace Exploration Agency

• ITAMI Toshio

  Japan Aerospace Exploration Agency

関連論文

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• Overview
• Thermophysical properties of germanium and its alloys in liquid states related to the modeling of diffusion phenomena
• Molecular dynamics simulations of liquid IV-IV alloys
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