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

Published: 15 June 2003| Version 1 | DOI: 10.17632/rjxwmdm528.1
D.A. Barlow


Abstract 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.... Title of program: PHASECALC Catalogue Id: ADRP_v1_0 Nature of problem Solid, liquid and solid+liquid phases for semiconductor compounds of the type Bl-xAxC, where A, B and C are the constituent elements, are commonly depicted in the form of pseudobinary phase diagrams. The solidus and liquidus lines in these diagrams are calculated via the equilibrium of free energies between like components in different phases. This code uses the Stringfellow method [1], and a modification to this method, to calculate the solidus and liquidus curves in these phase diagrams using ... Versions of this program held in the CPC repository in Mendeley Data ADRP_v1_0; PHASECALC; 10.1016/S0010-4655(03)00158-9 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Surface Science, Condensed Matter Physics, Computational Physics