× Updated! Potentials that share interactions are now listed as related models.

2011--Ko-W-S-Shim-J-H-Lee-B-J--Ni-H

Citation: W.-S. Ko, J.-H. Shim, and B.-J. Lee (2011), "Atomistic modeling of the Al-H and Ni-H systems", Journal of Materials Research, 26(12), 1552-1560. DOI: 10.1557/jmr.2011.95.
Abstract: Second nearest-neighbor modified embedded-atom method (MEAM) interatomic potentials for the Al-H and Ni-H binary systems have been developed on the basis of previously developed MEAM potentials of pure Al, Ni, and H. The potentials can describe various fundamental physical properties of the relevant binary alloys (structural, thermodynamic, defect, and dynamic properties of metastable hydrides or hydrogen in face-centered cubic solid solutions) in good agreement with experiments or first-principles calculations. The applicability of the present potentials to atomic level investigations of dynamic behavior of hydrogen atoms in metal membranes is also discussed.

LAMMPS pair_style meam (2011--Ko-W-S--Ni-H--LAMMPS--ipr1)
See Computed Properties
Notes: These potential files were obtained from http://cmse.postech.ac.kr/home_2nnmeam, accessed Nov 9, 2020. For consistency, the "library.meam_alloy" file for the interaction was renamed here to "NiH.meam".
File(s):
See Computed Properties
Notes: Listing found at https://openkim.org.
Link(s):
Date Created: October 5, 2010 | Last updated: July 09, 2021