Modified embedded-atom method interatomic potentials for Mg–X (X=Y, Sn, Ca) binary systems

Interatomic potentials for pure Ca and Mg–X (X=Y, Sn, Ca) binary systems have been developed on the basis of the second nearest-neighbor modified embedded-atom method (2NN MEAM) formalism. The potentials can describe various fundamental physical properties of pure Ca (bulk, defect and thermal proper...

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Veröffentlicht in:	Calphad 2015-03, Vol.48, p.27-34
Hauptverfasser:	Kim, Ki-Hyun, Jeon, Jong Bae, Lee, Byeong-Joo
Format:	Artikel
Sprache:	eng
Schlagworte:	2NN MEAM Binary systems Computer simulation Defects Embedded systems Interatomic potential Magnesium Mathematical models Mg alloy Molecular dynamics Phase transformations Tin Yttrium
Online-Zugang:	Volltext
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