Kim, Hyun-Kyu Jung, Woo-Sang Lee, Byeong-Joo 2024-01-20T19:01:59Z 2024-01-20T19:01:59Z 2021-09-02 2010-07 0884-2914 https://pubs.kist.re.kr/handle/201004/131287 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. English CAMBRIDGE UNIV PRESS TRANSITION-METAL NITRIDES THERMODYNAMIC ASSESSMENT GROUP-V 4D-TRANSITION-METAL CARBIDES ELECTRONIC-PROPERTIES ELASTIC-CONSTANTS CRYSTAL-STRUCTURE AB-INITIO TI-C NIOBIUM Modified embedded-atom method interatomic potentials for the Nb-C, Nb-N, Fe-Nb-C, and Fe-Nb-N systems Article 10.1557/JMR.2010.0182 1 JOURNAL OF MATERIALS RESEARCH, v.25, no.7, pp.1288 - 1297 JOURNAL OF MATERIALS RESEARCH 25 7 1288 1297 scie scopus 000279475500011 2-s2.0-77957935110 Materials Science, Multidisciplinary Materials Science Article TRANSITION-METAL NITRIDES THERMODYNAMIC ASSESSMENT GROUP-V 4D-TRANSITION-METAL CARBIDES ELECTRONIC-PROPERTIES ELASTIC-CONSTANTS CRYSTAL-STRUCTURE AB-INITIO TI-C NIOBIUM Modified embedded-atom method Interatomic potential Nb-C, Nb-N Fe-Nb-C, Fe-Nb-N Precipitation behavior