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

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)摘要 赝二元相图常被用于分析组成为B₁₋ₓAₓC的三元半导体化合物，其中A、B、C为纯元素，且0 ≤ x ≤ 1。本程序PHASECALC用于赝二元相图的计算。该程序采用斯特里菲洛方法（Stringfellow method）及其改进版本，无需可调参数即可完成此类计算。PHASECALC可计算作为摩尔分数x函数的、与温度相关的固相线与液相线…… 程序名称：PHASECALC 目录编号：ADRP_v1_0 问题本质 这类组成为B₁₋ₓAₓC的半导体化合物（A、B、C为组成元素）的固相、液相以及固液两相，通常以赝二元相图的形式进行表征。此类相图中的固相线与液相线，通过不同相中同类组分间的自由能平衡关系进行计算。本程序采用斯特里菲洛方法（Stringfellow method）及其改进版本，以无需可调参数的方式计算上述相图中的固相线与液相曲线…… Mendeley数据集中CPC程序库留存的本程序版本： ADRP_v1_0; PHASECALC; 10.1016/S0010-4655(03)00158-9 本程序源自贝尔法斯特女王大学所维护的CPC程序库（1969-2019年）