Molecular dynamics simulations of grain boundary diffusion in Al using embedded atom method potentials
Journal Article
·
· Journal of Materials Research
- Solid State Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830 (United States)
- Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States)
Molecular dynamics (MD) simulations of diffusion in a {Sigma}5(310)[001] Al tilt grain boundary were performed using for the first time three different potentials based on the embedded atom method (EAM). The EAM potentials that produce more accurate melting temperatures also yield activation energies in better agreement with experimental data. Compared to pair potentials, the EAM potentials also give more accurate results.
- Research Organization:
- Oak Ridge National Laboratory
- DOE Contract Number:
- AC05-84OR21400; AC04-76DP00789
- OSTI ID:
- 74015
- Journal Information:
- Journal of Materials Research, Journal Name: Journal of Materials Research Journal Issue: 7 Vol. 10; ISSN JMREEE; ISSN 0884-2914
- Country of Publication:
- United States
- Language:
- English
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