第一性原理研究钛合金中的沉淀强化

程坤, 陈树明, 曹烁, 刘建荣, 马英杰, 范群波, 程兴旺, 杨锐, 胡青苗

Precipitation Strengthening in Titanium Alloys from First Principles Investigation

CHENG Kun, CHEN Shuming, CAO Shuo, LIU Jianrong, MA Yingjie, FAN Qunbo, CHENG Xingwang, YANG Rui, HU Qingmiao

表3 二元Ti-xM合金剪切模量

G

对M含量x的拟合系数

Table 3 Parameters for the fitting of the shear modulus G and composition x relationship of binary Ti-xM alloy (For the α phase, G-x is fitted with

G = 62.49 + m x

，

x \leq 0.15

. For the β phase, G-x is fitted with

G = 18.69 + m x + n x^{2}

x \leq 0.30

. The intercepts in the fitting equations (62.49 GPa and 18.69 GPa) are respectively the shear moduli of the α and β phases of pure Ti)

M	α	β
M	$m$	$m$	$n$
Al	0.87 ± 1.29	38.84 ± 4.57	107.37 ± 18.26
V	-116.97 ± 0.42	103.95 ± 3.96	-142.15 ± 15.85
Cr	-254.92 ± 11.39	161.50 ± 6.75	-255.07 ± 26.99
Mn	-279.12 ± 3.47	198.59 ± 9.37	-270.81 ± 37.46
Fe	-225.56 ± 8.13	227.59 ± 9.73	-288.98 ± 38.94
Co	-167.85 ± 8.85	240.66 ± 7.59	-353.45 ± 30.36
Ni	-110.81 ± 5.70	216.68 ± 6.73	-353.20 ± 26.90
Zr	-19.07 ± 0.35	38.28 ± 3.52	-61.30 ± 14.07
Nb	-90.08 ± 0.76	148.00 ± 5.10	-212.12 ± 20.40
Mo	-200.39 ± 1.61	207.58 ± 9.16	-308.80 ± 36.65
Ta	-48.13 ± 1.72	145.14 ± 4.63	-161.78 ± 18.53
W	-162.35 ± 1.68	215.07 ± 8.60	-239.50 ± 34.42