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

III J. Cherne, Pierre A Deymier

Research output: Contribution to journalArticle

34 Citations (Scopus)

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

Fingerprint

Aluminum
Transport properties
Molecular dynamics
embedded atom method
transport properties
viscosity
molecular dynamics
aluminum
Liquids
liquids
Viscosity
Thermostats
Atoms
thermostats
Shear viscosity
Liquid metals
diffusion coefficient
shear
Fluids
fluids

Keywords

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

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Materials Science(all)
  • Metals and Alloys

Cite this

Calculation of the transport properties of liquid aluminum with equilibrium and non-equilibrium molecular dynamics. / Cherne, III J.; Deymier, Pierre A.

In: Scripta Materialia, Vol. 45, No. 8, 29.10.2001, p. 985-991.

Research output: Contribution to journalArticle

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