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

被引：0
作者：
Hyun-Kyu Kim
Woo-Sang Jung
Byeong-Joo Lee
机构：
[1] Pohang University of Science and Technology,Department of Materials Science and Engineering
[2] Korea Institute of Science and Technology,Materials Science and Technology Research Division
来源：
Journal of Materials Research | 2010年 / 25卷
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摘要：
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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页码：1288 / 1297
页数：9
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