I want to use the EAM potential of Ti-5Ta alloy for a sintering simulation. A Ti nanoparticle with a hexagonal close-packed (HCP) structure and a Ta nanoparticle with a body centered cubic (BCC) structure. But I do not find any files that meet my needs. Can I generate these potential files some how ? can anyone advice me about this ? Thanks in advance.
Kaushik Shandilya
NIST Interatomic Potentials Repository: https://www.ctcms.nist.gov/potentials/ LAMMPS Molecular Dynamics Simulator: https://lammps.sandia.gov/ Zhang, H., Wang, B., & Zou, G. (2019). Development of an embedded-atom-method potential for the Ti-5Ta alloy. Journal of Alloys and Compounds, 780, 652-659.
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