立方结构的纯金属及二元合金杨氏模量的计算

Theoretical Calculation of Young′s Modulus for Cubic Pure Metals and Binary Alloys

以立方结构的纯金属为研究对象,在文献报道的实验信息的基础上,运用改进的半经验模型优化并计算了金属在不同温度时的杨氏模量.借鉴相图计算的CALPHAD(calculation of phase diagrams)方法,构建了二元合金杨氏模量计算的新模型.基于二元合金的实验信息,对Ag-Au、Ta-W、Pt-Rh和Pt-Ir 4个二元合金的杨氏模量计算参数进行了优化,计算了合金在不同温度、成分时的杨氏模量,计算结果与实验信息取得了良好的一致性.

Combined a modified empirical model with the available experimental data,the Young′s modulus is assessed as a function of temperature for the cubic pure metals.A new model is proposed for predicting the Young′s modulus of binary alloy system in the framework of calculation of phase diagrams(CALPHAD)approach.Based on the experimental information,the temperature-dependent of Young′s modulus at different compositions are calculated for Ag-Au,Ta-W,Pt-Rh and Pt-Ir binary alloys.It is indicated that our theoretical results are in excellent agreement with the measurements.Most importantly,the new model proposed is capable of correctly predicting the Young′s modulus as a function of temperature for the binary alloy system.