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5. Ti30Nb24、Ti24Nb30和Ti18Nb36剪切模量和Young's模量随晶体取向的变化
Color online
Fig.5. Shear moduli (a~c) and Young's moduli (d~f) of Ti30Nb24 (a, d), Ti24Nb30 (b, e) and Ti18Nb36 (c, f) as a function of crystal orientation from unrelaxed SQS calculations (The Zener ratio A=2C44/(C11-C12) is a measure of the elastic anisotropy)
