Paper Title:
Development of a Method for Making Interatomic Potential: An Application to Metallic Systems
  Abstract

A method for making interatomic potentials is proposed and is applied to Cu-Zr-Hf-Ni- Al bulk-metallic-glass systems. The method consists of three steps. Firstly, potential function form is determined so that bonding nature can be described. Secondly, materials properties used for fitting are selected so that the potential has enough robustness. Here, it is noted that materials properties must be added in accordance with the purpose of the study. Finally, potential parameters have been optimized using global-search procedure. Developed potential well reproduces material properties of them.

  Info
Periodical
Materials Science Forum (Volumes 539-543)
Main Theme
Edited by
T. Chandra, K. Tsuzaki, M. Militzer , C. Ravindran
Pages
2123-2128
DOI
10.4028/www.scientific.net/MSF.539-543.2123
Citation
T. Kumagai, S. Hara, S. Izumi, S. Sakai, "Development of a Method for Making Interatomic Potential: An Application to Metallic Systems", Materials Science Forum, Vols. 539-543, pp. 2123-2128, 2007
Online since
March 2007
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$32.00
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