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4. β-Ti1-xNbx合金的弹性常数随Nb含量的变化
Color online
Fig.4. Single crystal elastic constants C11 (a), C12 (b) and C44 (c) of β-Ti1-xNbx alloys as functions of composition (The blue scattered symbols are from experimental measurements[
