@inproceedings{9e4b5eba44ea4eb7a65da4e7a8bc5fc0,
title = "Effect of Nb on the properties of Ti-Nb random alloys from first-principles",
abstract = "The effect of Nb on the equilibrium lattice parameters and relative stability between β and ω phases of Ti1-xNbx (0 < x ≤ 0.4) random alloys as well as their mechanical properties in body-centered-cubic crystallographic phase was investigated using the exact muffin-tin orbitals method in combination with the coherent potential approximation. It has been found that the calculated lattice parameters of the β phase agree well with the experimental data. For ω phase, the value of a increases almost linearly with increasing Nb concentration, while the opposite situation presented for c/a. Both Nb addition and increasing temperature enhanced the stability of β phase relative to ω phase. The critical Nb concentration for the complete stabilization of β phase at 300 K, 673 K and 1273 K was 22 at.%, 17 at.% and 9 at.%, respectively. The polycrystalline bulk modulus B, Young's modulus E and shear modulus G increased monotonously with Nb addition and reducing the Nb concentration below 30 at.% resulted in lower E compared to that of Ti-6Al-4V. The calculated G/B values demonstrate that the bcc Ti1-xNbx (0 < x ≤ 0.4) random alloys should be intrinsically ductile.",
keywords = "First principles, Mechanical properties, Phase stability, Ti-Nb",
author = "Minjie Lai and Xiangyi Xue and Caisi Meng and Hongchao Kou and Bing Tang and Hui Chang and Jinshan Li",
year = "2013",
doi = "10.4028/www.scientific.net/MSF.747-748.890",
language = "英语",
isbn = "9783037856086",
series = "Materials Science Forum",
publisher = "Trans Tech Publications Ltd",
pages = "890--898",
editor = "Yafang Han and Junpin Lin and Chengbo Xiao and Xiaoqin Zeng",
booktitle = "High Performance Structure Materials",
address = "瑞士",
note = "Chinese Materials Congress 2012, CMC 2012 ; Conference date: 13-07-2012 Through 18-07-2012",
}