A first principles molecular dynamics study of the relationship between atomic structure and elastic properties of Mg–Zn–Ca amorphous alloys

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Title
A first principles molecular dynamics study of the relationship between atomic structure and elastic properties of Mg–Zn–Ca amorphous alloys
Authors
Keywords
Ab initio molecular dynamics, Magnesium based amorphous alloys, Structural analysis, Elastic constants, Chemical bonding, Configuration entropy
Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 96, Issue -, Pages 246-255
Publisher
Elsevier BV
Online
2014-10-12
DOI
10.1016/j.commatsci.2014.09.019

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