Modified embedded-atom method interatomic potentials for the Nb-C, Nb-N, Fe-Nb-C, and Fe-Nb-N systems

Title
Modified embedded-atom method interatomic potentials for the Nb-C, Nb-N, Fe-Nb-C, and Fe-Nb-N systems
Authors
Kim, Hyun-Kyu정우상이병주
Keywords
Modified embedded-atom method; Interatomic potential; Nb-C, Nb-N; Fe-Nb-C, Fe-Nb-N; Precipitation behavior
Issue Date
2010-07
Publisher
Journal of materials research
Citation
VOL 25, NO 7, 1288-1297
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.
URI
http://pubs.kist.re.kr/handle/201004/39089
ISSN
0884-2914
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KIST Publication > Article
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