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 language | English (US) |
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Pages (from-to) | 985-991 |
Number of pages | 7 |
Journal | Scripta Materialia |
Volume | 45 |
Issue number | 8 |
DOIs | |
State | Published - Oct 29 2001 |
Keywords
- Computer simulation
- Liquid aluminum
- Theory and modeling
- Transport properties
ASJC Scopus subject areas
- General Materials Science
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys