Site preference of Ti and Nb in L12-ordered Co-Al-W phase and their effect on the properties of the alloy: first-principles study

Author:

Wang Zihan,Zhang Jianxin,Li Pan,Zhang Youjian,Jin Huixin,Zhang Wenyang

Abstract

Abstract In this work, the equilibrium structure, electronic and elastic properties of L12-ordered Co-Al-W and Co-Al-W-X (X = Ti and Nb) phase were calculated, using first-principles calculations. Among six nonequivalent sites (Al1, Al2, Co3, Co4, W5, W6), Ti and Nb prefer to occupy the W6 site, since the formation enthalpy of the system is lowest when Ti and Nb occupy the W6 site. Both Ti and Nb most affect the density of states of Al atoms. Compared with the Al2 site, which is the sub-preference site of Ti and Nb, the density of states of Al atoms is higher with the addition of Ti and Nb in the W6 site, which means that the latter system is more stable. According to the bulk modulus B, shear modulus G, Young’s modulus E, hardness H V and Poisson’s ratio σ, for Co3(Al, W) alloy, the addition of Ti and Nb in the W6 site decreases its hardness but increases its ductility. This work confirms that Ti and Nb can stabilize the Co3(Al, W) alloy and have a positive effect in solving the relatively poor ductility of this alloy, which has important implications for the development of cobalt-based alloys.

Funder

National Natural Science Foundation of China

Publisher

IOP Publishing

Subject

Physics and Astronomy (miscellaneous)

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3