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Embedded-atom potential for Fe and its application to self-diffusion on Fe(1 0 0)

โœ Scribed by H. Chamati; N.I. Papanicolaou; Y. Mishin; D.A. Papaconstantopoulos


Book ID
108279311
Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
478 KB
Volume
600
Category
Article
ISSN
0039-6028

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Using a molecular dynamics method and a modified analytic embedded atom potential, the energetic and the self-diffusion dynamics of Zr atomic clusters up to eight atoms on a-Zr(0 0 0 1) surface have been studied. The simulation temperature ranges from 300 to 1100 K and the simulation time varies fro