Journal
SCRIPTA MATERIALIA
Volume 59, Issue 6, Pages 595-598Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.scriptamat.2008.05.007
Keywords
modified embedded-atom method; atomistic simulation; Fe-Ti; Fe-Nb
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Funding
- Korea Institute of Industrial Technology(KITECH) [M2007010007] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
- National Research Foundation of Korea [과C6A2006] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
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A semi-empirical interatomic potential formalism, the second-nearest-neighbor modified embedded-atom method (2NN MEAM), has been applied to obtain interatomic potentials for Fe-Nb and Fe-Ti systems based on the previously developed potentials for pure Fe, Nb and Ti. The present potentials generally reproduce the fundamental physical properties of the Fe-Nb and Fe-Ti systems accurately. The potentials can be easily combined with already-developed MEAM potentials for binary carbide or nitride systems and can be used to describe Fe-(Ti,Nb)-(C,N) multicomponent systems. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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