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.
Publisher
Springer Science and Business Media LLC
Subject
Mechanical Engineering,Mechanics of Materials,Condensed Matter Physics,General Materials Science
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3. 18 Desk Handbook Phase Diagrams for Binary Alloys, edited by Okamoto H. (ASM International, Materials Park, OH, 2000).
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