Structure of palladium-rhodium alloys below their melting points

A new method for calculating the boundaries between two solid alloy phases has been developed. It is first principles in that the only input is the atomic numbers of the constituents, and differs from previous efforts in that no interaction potentials are introduced. It is used to calculate the misc...

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Veröffentlicht in:	Physical review letters 1993-05, Vol.70 (21), p.3287-3290
Hauptverfasser:	YANG WANG, FAULKNER, J. S, STOCKS, G. M
Format:	Artikel
Sprache:	eng
Schlagworte:	360102 - Metals & Alloys- Structure & Phase Studies ALLOY SYSTEMS ALLOYS Applied sciences BINARY ALLOY SYSTEMS CALCULATION METHODS CHEMICAL COMPOSITION Condensed matter: structure, mechanical and thermal properties DIAGRAMS ELECTRONIC STRUCTURE Equations of state, phase equilibria, and phase transitions Exact sciences and technology MATERIALS SCIENCE Metals. Metallurgy MONTE CARLO METHOD PALLADIUM ALLOYS PHASE DIAGRAMS Physics PLATINUM METAL ALLOYS RHODIUM ALLOYS Solubility, segregation, and mixing phase separation TEMPERATURE DEPENDENCE
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Beschreibung
Zusammenfassung:	A new method for calculating the boundaries between two solid alloy phases has been developed. It is first principles in that the only input is the atomic numbers of the constituents, and differs from previous efforts in that no interaction potentials are introduced. It is used to calculate the miscibility gap in the Pd--Rh phase diagram.
ISSN:	0031-9007 1079-7114
DOI:	10.1103/PhysRevLett.70.3287