基于CALPHAD方法的多元合金杨氏模量的计算

Theoretical Calculation of Young′s Modulus for Multicomponent Alloys Based on CALPHAD Method

基于纯金属杨氏模量的实验信息,本研究对纯金属的杨氏模量随温度变化的半经验模型中的参数进行了优化.借鉴相图计算的CALPHAD(calculation of phase diagram)方法,构建了多元合金杨氏模量计算的模型.基于二元合金的杨氏模量实验信息,对Fe-Ni和Ta-Mo二元系的杨氏模量计算参数进行了优化,计算了合金在不同温度和成分时的杨氏模量,计算结果与实验数据取得了良好的一致性.基于二元合金的优化参数,运用三元合金的计算模型,预测了TaNb-W和Ta-Nb-Mo在不同温度和成分时的杨氏模量.

Based on experimental data of Young′s modulus of pure metals,the parameters of the semiempirical model,which describes how the Young′s modulus of pure metals changes with temperature,are assessed.Imitating the CALPHAD method,we propose a calculation model to calculate the Young′s modulus of a multicomponent alloy system.Based on the experimental information of the binary alloy,the parameters of the Young′s modulus in the Fe-Ni and Ta-Mo systems are optimized.The results are consistent with the experimental data.With the parameters assessed in binary systems,the Young′s modulus of the Ta-Nb-W and Ta-Nb-Mo ternary systems changing with temperature and composition are predicted.