无序β-Ti1-xNbx合金自由能及弹性性质的第一性原理计算:特殊准无序结构和相干势近似的比较
张海军1,2, 邱实3, 孙志梅3, 胡青苗1(
), 杨锐1
), 杨锐1
First-Principles Study on Free Energy and Elastic Properties of Disordered β-Ti1-xNbx Alloy: Comparison Between SQS and CPA
ZHANG Haijun1,2, QIU Shi3, SUN Zhimei3, HU Qingmiao1(), YANG Rui1
), YANG Rui1
图2. β-Ti1-xNbx合金的形成焓随Nb含量的变化
Fig.2. Formation enthalpy of β-Ti1-xNbx alloys plotted as functions of composition
