"Calculation of Thermal, Mechanical and Transport Properties of Model Glass Formers"

نویسندگان

  • T. Cagin
  • Y. Qi
  • H. Li
  • Y. Kimura
  • H. Ikeda
  • W. L. Johnson
  • Yoshitaka Kimura
  • Yue Qi
  • Hao Li
  • Hideyuki Ikeda
  • William L. Johnson
  • William A. Goddard
چکیده

Recently, we have parametrized Sutton-Chen type empirical many body force elds for FCC transition metals to study the thermodynamic, mechanical, transport and phase behavior of metals and their alloys. We have utilized these potentials in lattice dynamics calculations and molecular dynamics simulations to describe the structure, thermodynamic, mechanical and transport properties of pure metals and binary alloys in solid, liquid and glass phases. Here, we will describe these applications: mechanical properties of binary alloys (Pt Rh) and viscosity of a binary alloy, (Au Cu), as a function of composition, temperature, and shear rate, crystal-liquid, liquid-crystal phase transformation in (Ni Cu), liquid to glass transformation in a model glass former, (Ag Cu).

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تاریخ انتشار 2000