Please use this identifier to cite or link to this item: http://hdl.handle.net/1959.13/927739
- Molecular dynamics simulation of the thermophysical properties of an undercooled liquid Ni₅₀Al₅₀ alloy
Levchenko, Elena V.;
Evteev, Alexander V.;
Beck, Daniel R.;
Belova, Irina V.;
Murch, Graeme E.
- The University of Newcastle. Faculty of Engineering & Built Environment, School of Engineering
- The material properties of surface segregation, density (atomic volume), surface energy and self-diffusion in an undercooled liquid Ni₅₀Al₅₀ film model are studied in temperature range of 1550–950 K by molecular dynamics simulations with the well-known embedded-atom method potential developed by Mishin et al. [Y. Mishin, M.J. Mehl, D.A. Papaconstantopoulos, Phys. Rev. B 65 (2002) 224114] for the B2 ordered NiAl compound. The results are then compared with recent molecular dynamics simulation results on the properties of the liquid Ni₅₀Al₅₀ film model in the temperature range 1550–2000 K (higher than the melting temperature of the model).
- Computational Materials Science Vol. 50, Issue 2, p. 465-473
- Publisher Link
undercooled liquid alloy;
- Resource Type
- journal article