2018新材料国际发展趋势高层论坛

孙志梅

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职位/职称: 教授

单位: 北京航空航天大学

报告论坛: 计算材料学科学技术分论坛

报告题目: Mapping the relationship among composition, stacking fault energy and ductility for Nb alloys: a high-throughput first-principles study

简历:

北京航空航天大学长江学者特聘教授,国家杰出青年科学基金获得者。2002年1月毕业于中科院金属研究所获材料学博士学位;2002-2007年先后在德国亚琛工业大学冶金系和瑞典乌普萨拉大学物理系从事博士后研究工作;2007-2013年厦门大学材料学院教授、博士生导师;2013至今任职于北京航空航天大学材料学院。
 
孙志梅教授长期从事材料电子结构计算和分子动力学模拟研究及相关实验,在半导体材料和高温结构材料等体系的研究中取得了显著成绩,在PRL、PNAS、JACS、Nano Letters、PRB、APL、Acta Mater等期刊上发表SCI论文160余篇;论文被Nature作为Research Highlights进行评论和介绍,被Nature Materials在News & Views栏目进行介绍、被Science、Nature Mater.、JACS、PRL、PNAS等SCI期刊引用5000余次;授权7项国家发明专利。入选教育部“长江学者奖励计划”特聘教授、国家百千万人才工程、国家“万人计划”领军人才等,主持国家重点研发计划《材料基因工程关键技术与支撑平台》重点项目等多项国家和省部级项目。

摘要:

Transition metals are extensively used to improve the mechanical properties of niobium based alloy, one of the most promising high-temperature materials. Yet the microscopic mechanism of the alloying effects of these transition metals on the mechanical properties is unclear. In this study, we have mapped out the composition-SFE-ductility relationship for transition metal alloyed Nb alloys by comprehensively investigating the stacking fault energies (SFEs) and ductility in binary and ternary Nb alloys using first-principles calculations. It is found that the valence electron concentration can be used as the key descriptor to evaluate the SFE of Nb alloys, which is applicable to both binary and ternary alloys. The microscopic mechanism arises from the electron redistribution in the local stacking fault area. Moreover, for ternary Nb-Ti based alloys, the interaction between Ti and the third alloying elements has negligible effect on SFE of the systems, and the valence-electron rule still dominates. The alloying effects on the ductility are further illustrated based on the ratio between surface energies and SFEs. The composition-SFE-ductility map obtained by our theoretical calculations is calibrated by available experimental data.

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重要日期

会议开始时间

2018-09-16

会议结束时间

2018-09-18

报到时间

2018-09-16

poster提交截止日期

2018-08-30

报告人摘要提交截止日期

2018-08-25

联系方式

王方 
电话:029-86226599
传真:029-86282362
materialschina@163.com


王媛
电话: 13464049904
yuan209108@imr.ac.cn 

富甘霖(参展及赞助)
电话:13811320379 
13811320379@163.com

高虹(财务)
电话:029-86226599
传真:029-86282362
zgcljz@126.com

 

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