PHASECALC: A code for the calculation of pseudobinary phase diagrams using no adjustable parameters

Pseudobinary phase diagrams are often used in the analysis of ternary semiconductor compounds of the form B 1− x A x C where A, B and C are the pure elements and 0⩽ x⩽1. The code PHASECALC is used for the calculation of pseudobinary phase diagrams. The code utilizes the Stringfellow method, and a mo...

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Veröffentlicht in:Computer physics communications 2003-06, Vol.153 (2), p.227-232
1. Verfasser: Barlow, D.A.
Format: Artikel
Sprache:eng
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Zusammenfassung:Pseudobinary phase diagrams are often used in the analysis of ternary semiconductor compounds of the form B 1− x A x C where A, B and C are the pure elements and 0⩽ x⩽1. The code PHASECALC is used for the calculation of pseudobinary phase diagrams. The code utilizes the Stringfellow method, and a modification of this method, to perform this calculation using no adjustable parameters. PHASECALC computes the temperature dependent solidus and liquidus lines as a function of mole fraction x. PHASECALC requires the following input data: enthalpy of fusion, melting temperature, and lattice constant for the pure binary compounds (AB and BC), electronegativity, molecular weight, density and energy of vaporization for the pure elements A and B.
ISSN:0010-4655
1879-2944
DOI:10.1016/S0010-4655(03)00158-9