Microscopic Calculations of the Stability of Metallic Glasses

Autor:	L. von Heimendahl, Jürgen Hafner
Rok vydání:	1979
Předmět:	Maxima and minima Pseudopotential Condensed Matter::Materials Science Amorphous metal Materials science Condensed matter physics Ab initio Cluster (physics) Intermetallic General Physics and Astronomy Relaxation (physics) Condensed Matter::Disordered Systems and Neural Networks Amorphous solid
Zdroj:	Physical Review Letters. 42:386-389
ISSN:	0031-9007
DOI:	10.1103/physrevlett.42.386
Popis:	We show that metallic glasses are stabilized by the close matching between the minima in the interionic potentials and the maxima of the partial pair-distribution functions. We use an ab initio pseudopotential method to calculate the interionic potentials for transition-metal-free glasses (Mg-Zn, Ca-Mg, and Ca-Al). The amorphous structure is determined using cluster relaxation and thermodynamic variational techniques. Our theory demonstrates that there is a close relation between glass formation and the formation of topologically close-packed intermetallic compounds.
Databáze:	OpenAIRE
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