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Stability of Fe-Based Alloys With Structure Type C6Cr23

Published online by Cambridge University Press:  03 March 2011

M. Widom  and
M. Mihalkovic
M. Widom
Affiliation:
Department of Physics, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213
M. Mihalkovic
Affiliation:
Department of Physics, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213; and Institute of Physics, Slovak Academy of Sciences, 84228 Bratislava, Slovakia
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Abstract

Bulk metallic glass forms when liquid metal alloys solidify without crystallization. In the search for iron-based bulk glass-forming alloys of the metal–metalloid type (Fe–B- and Fe–C-based), crystals based on the structural prototype C6Cr23 often preempt the amorphous phase. Destabilizing this competing crystal structure could enhance glass formability. We carried out first-principles total energy calculations of enthalpy of formation to identify third elements that can effectively destabilize C6Cr23. Yttrium appears optimal among transition metals, and rare earths also are suitable. Atomic size is the dominant factor.

Keywords

Ab initio calculationIntermetallic alloysPhase equilibria
Type
Articles
Information
Journal of Materials Research , Volume 20 , Issue 1 , January 2005 , pp. 237 - 242
Copyright
Copyright © Materials Research Society 2004

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