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2010--Kim-H-K-Jung-W-S-Lee-B-J--Nb-C

Citation: H.-K. Kim, W.-S. Jung, and B.-J. Lee (2010), "Modified embedded-atom method interatomic potentials for the Nb-C, Nb-N, Fe-Nb-C, and Fe-Nb-N systems", Journal of Materials Research, 25(7), 1288-1297. DOI: 10.1557/jmr.2010.0182.
Abstract: Modified embedded-atom method (MEAM) interatomic potentials for Nb-C, Nb-N, Fe-Nb-C, and Fe-Nb-N systems have been developed based on the previously developed MEAM potentials for lower order systems. The potentials reproduce various fundamental physical properties (structural properties, elastic properties, thermal properties, and surface properties) of NbC and NbN, and interfacial energy between bcc Fe and NbC or NbN, in generally good agreement with higher-level calculations or experimental information. The applicability of the present potentials to atomic-level investigations to the precipitation behavior of complex-carbonitrides (Nb,Ti)(C,N) as well as NbC and NbN, and their effects on the mechanical properties of steels are also discussed.

LAMMPS pair_style meam (2010--Kim-H-K--Nb-C--LAMMPS--ipr1)
See Computed Properties
Notes: These files are based on files obtained from http://cmse.postech.ac.kr/home_2nnmeam.
File(s):
See Computed Properties
Notes: Listing found at https://openkim.org.
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Date Created: October 5, 2010 | Last updated: July 09, 2021