Effect of microalloyed elements M (M=Ce, Ti, V, Nb) on mechanical properties and electronic structures of γ‐Fe: Insights from a first‐principles study

2021 ◽  
Author(s):  
Xiangjun Liu ◽  
Jichun Yang ◽  
Changkun Cai ◽  
Anxin Li ◽  
Xiao Lei ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
First Principles ◽  
Electronic Structures ◽  
First Principles Study

scholarly journals First-principles study on the effects of N and Al doping on the mechanical properties and electronic structures of TiC

RSC Advances ◽  
2020 ◽  
Vol 10 (60) ◽  
pp. 36295-36302
Author(s):  
Zhinan Cao ◽  
Na Jin ◽  
Jinwen Ye ◽  
Xu Du ◽  
Ying Liu
Keyword(s):  
Mechanical Properties ◽  
Electronic Structure ◽  
Plane Wave ◽  
First Principles ◽  
Electronic Structures ◽  
First Principles Calculations ◽  
Al Doping ◽  
First Principles Study

First-principles calculations are carried out by DFT within the CASTEP plane wave code to investigate the mechanical properties and electronic structure of N and Al doped TiC.

First Principles Study of Mechanical Properties and Electronic Structures of Vanadium-Doped TiC and TiN

2018 ◽  
Vol 20 (10) ◽  
pp. 1800295 ◽  
Author(s):  
Shuting Sun ◽  
Yangzhen Liu ◽  
Hanguang Fu ◽  
Xingye Guo ◽  
Shengqiang Ma ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
First Principles ◽  
Electronic Structures ◽  
First Principles Study
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