Modified embedded-atom method interatomic potentials for the Nb-C, Nb-N, Fe-Nb-C, and Fe-Nb-N systems
- Modified embedded-atom method interatomic potentials for the Nb-C, Nb-N, Fe-Nb-C, and Fe-Nb-N systems
- Kim, Hyun-Kyu; 정우상; 이병주
- Modified embedded-atom method; Interatomic potential; Nb-C, Nb-N; Fe-Nb-C, Fe-Nb-N; Precipitation behavior
- Issue Date
- Journal of materials research
- VOL 25, NO 7, 1288-1297
- 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.
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