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  • 标题:Modeling aluminum using molecular dynamics simulation
  • 本地全文:下载
  • 作者:H. Chabba ; M. Lemaalem ; A. Derouiche
  • 期刊名称:Journal of Materials and Environmental Science
  • 印刷版ISSN:2028-2508
  • 出版年度:2018
  • 卷号:9
  • 期号:1
  • 页码:93-99
  • DOI:10.26872/jmes.2018.9.1.11
  • 出版社:University of Mohammed Premier Oujda
  • 摘要:The study of a material is done by the study of its mechanical, chemical, physical andthermal properties. The bulk modulus as one of the important mechanical properties ofmetals; the radial distribution function; describes how the density varies as a function ofthe distance to a particle of reference; are calculated using molecular dynamicssimulation method. The box of simulation contains 4000 atoms of pure aluminum andtwo different potentials functions are utilized to predict the bulk modulus for purealuminum. We have also calculated the radial distribution function, and therupture pressure Therefore, all simulations were performed with the use of the code ofmolecular dynamics LAMMPS. We found that the potential functions to two body canpredict the bulk modulus of aluminum in agreement with the experimental data.
  • 关键词:Molecular Dynamics; Bulk modulus; Potential function; Radial distribution;function; LAMMPS package; Aluminum
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