Calculation of the transport properties of liquid aluminum with equilibrium and non-equilibrium molecular dynamics

III J. Cherne, P. A. Deymier

Research output: Contribution to journalArticle

35 Scopus citations

Abstract

The shear viscosity and self-diffusion coefficients of liquid aluminium were examined through equilibrium and non-equilibrium molecular dynamics. These values were calculated by embedded atom method (EAM) potential. In non-equilibrium molecular dynamics (NEMD) a small effect on the calculated viscosity was noted from the thermostat used which is highly pronounced for high viscosity fluids. The transport properties of molten metals were predicted reliably through molecular dynamics simulation in conjunction with the EAM derived potentials.

Original languageEnglish (US)
Pages (from-to)985-991
Number of pages7
JournalScripta Materialia
Volume45
Issue number8
DOIs
StatePublished - Oct 29 2001

Keywords

  • Computer simulation
  • Liquid aluminum
  • Theory and modeling
  • Transport properties

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys

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