First principle calculation of structure and stability of α-Fe/V4C3 interface in vanadium microalloyed steel

First principle calculation of structure and stability of α-Fe/V4C3 interface in vanadium microalloyed steel

In order to investigate the interface stability of α-Fe/V4C3, the interface structure of three different atomic stacking sequences (Fe-on-C, Fe-on-V and Bridge) of (100)α-Fe/(100)V4C3 were optimized by using the first-principles calculations with pseudo potential plane wave method. The structural st...

Full description

Bibliographic Details
Main Authors: TANG Shuai, LIU Jiamin, LI Linxian, WEN Xiping, PENG Qing, LIU Zhenyu, WANG Guodong
Format: Article
Language:zho
Published: Journal of Materials Engineering 2022-05-01
Series:Cailiao gongcheng
Subjects:
high strength low alloy steel
α-fe/v4c3interface
interface work of separation
electronic structure
Online Access:http://jme.biam.ac.cn/CN/10.11868/j.issn.1001-4381.2021.000278

Similar Items

Similar Items