Modified embedded-atom method interatomic potentials for the Nb-C, Nb-N, Fe-Nb-C, and Fe-Nb-N systems
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 pro...
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Published in | Journal of materials research Vol. 25; no. 7; pp. 1288 - 1297 |
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Main Authors | , , |
Format | Journal Article |
Language | English |
Published |
New York, USA
Cambridge University Press
01.07.2010
Springer International Publishing |
Subjects | |
Online Access | Get full text |
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Summary: | 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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Bibliography: | ark:/67375/6GQ-5W89L7WW-2 PII:S0884291400007329 istex:35BC0F82AC64D4FC46D56C46951812A15D355A77 ArticleID:00732 |
ISSN: | 0884-2914 2044-5326 |
DOI: | 10.1557/JMR.2010.0182 |