First principles study on interstitial C and substitutional Mn in bcc iron: structural stability and elastic properties

2014 ◽  
Vol 18 (sup2) ◽  
pp. S2-775-S2-779 ◽  
Author(s):  
B. Kou ◽  
Z. Kou ◽  
Y. Liu ◽  
P. Han
Keyword(s):  
Elastic Properties ◽  
Structural Stability ◽  
First Principles ◽  
First Principles Study ◽  
Bcc Iron

First principles study of the elastic properties of Li2MnSiO4−ySy

2015 ◽  
Vol 3 (10) ◽  
pp. 5449-5456 ◽  
Author(s):  
Lin Zhu ◽  
Lin Li ◽  
Taimin Cheng ◽  
Dongsheng Xu
Keyword(s):  
Elastic Properties ◽  
Structural Stability ◽  
First Principles ◽  
First Principles Calculations ◽  
First Principles Study ◽  
Silicate Materials ◽  
Charge Discharge

First principles calculations were performed to investigate the elastic properties of Li2MnSiO4−ySy (y = 0, 0.5, 1, 2, 4) with the aim of improving the structural stability of silicate materials during charge/discharge cycles.

First-principles study of structural stability and elastic properties of the ordered Si0.5Ge0.5 alloy under high pressure

2011 ◽  
Vol 248 (5) ◽  
pp. 1135-1138 ◽  
Author(s):  
Aimin Hao ◽  
Lixin Zhang ◽  
Zhongming Gao ◽  
Yan Zhu ◽  
Liu Riping
Keyword(s):  
High Pressure ◽  
Elastic Properties ◽  
Structural Stability ◽  
First Principles ◽  
First Principles Study

scholarly journals First-principles study of structural stability and elastic properties of MgPd3 and its hydride

2014 ◽  
Vol 2 (2) ◽  
pp. 165-174 ◽  
Author(s):  
Dong-Hai Wu ◽  
Hai-Chen Wang ◽  
Liu-Ting Wei ◽  
Rong-Kai Pan ◽  
Bi-Yu Tang
Keyword(s):  
Elastic Properties ◽  
Structural Stability ◽  
First Principles ◽  
First Principles Study

Investigation of structural stability and elastic properties of CrH and MnH: A first principles study

2015 ◽  
Author(s):  
S. Kanagaprabha ◽  
R. Rajeswarapalanichamy ◽  
G. Sudhapriyanga ◽  
A. Murugan ◽  
M. Santhosh ◽  
...  
Keyword(s):  
Elastic Properties ◽  
Structural Stability ◽  
First Principles ◽  
First Principles Study

Investigation of structural stability and elastic properties of Zrh and Zrh2: A first principles study

2014 ◽  
Author(s):  
S. Kanagaprabha ◽  
R. Rajeswarapalanichamy ◽  
G. Sudhapriyanga ◽  
A. Murugan ◽  
M. Santhosh ◽  
...  
Keyword(s):  
Elastic Properties ◽  
Structural Stability ◽  
First Principles ◽  
First Principles Study

First-principles study of structural stability, electronic and elastic properties of ZrC compounds

2011 ◽  
Vol 406 (14) ◽  
pp. 2750-2754 ◽  
Author(s):  
Zengtao Lv ◽  
Haiquan Hu ◽  
Cheng Wu ◽  
Shouxin Cui ◽  
Guiqing Zhang ◽  
...  
Keyword(s):  
Elastic Properties ◽  
Structural Stability ◽  
First Principles ◽  
First Principles Study

First-principles study of (Ti5−xMgx)Si3 phases with the hexagonal D88 structure: Elastic properties and electronic structure

2012 ◽  
Vol 54 ◽  
pp. 287-292 ◽  
Author(s):  
Xiao-Jun Chen ◽  
Meng-Xue Zeng ◽  
Ren-Nian Wang ◽  
Zhou-Sheng Mo ◽  
Bi-Yu Tang ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Elastic Properties ◽  
First Principles ◽  
First Principles Study
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