Ab initio calculation of elastic properties of rock-salt and zinc-blend MgS under pressure

2008 ◽  
Vol 403 (12) ◽  
pp. 1996-1999 ◽  
Author(s):  
P.F. Yuan ◽  
Z.J. Ding
Keyword(s):  
Ab Initio ◽  
Elastic Properties ◽  
Rock Salt ◽  
Ab Initio Calculation ◽  
Zinc Blend

Structural and elastic properties of Pd–Zr compounds studied by ab initio calculation

2012 ◽  
Vol 31 ◽  
pp. 79-87 ◽  
Author(s):  
X. Bai ◽  
J.H. Li ◽  
Y. Dai ◽  
B.X. Liu
Keyword(s):  
Ab Initio ◽  
Elastic Properties ◽  
Ab Initio Calculation

Ab initio calculation of the total energy and elastic properties of Laves phase C15 Al2RE (RE=Sc, Y, La, Ce–Lu)

2008 ◽  
Vol 44 (2) ◽  
pp. 392-399 ◽  
Author(s):  
Xiaoma Tao ◽  
Yifang Ouyang ◽  
Huashan Liu ◽  
Fanjiang Zeng ◽  
Yuanping Feng ◽  
...  
Keyword(s):  
Total Energy ◽  
Ab Initio ◽  
Elastic Properties ◽  
Ab Initio Calculation ◽  
Laves Phase

Elastic properties of γ′-Fe4N probed by nanoindentation and ab initio calculation

2012 ◽  
Vol 60 (5) ◽  
pp. 2054-2060 ◽  
Author(s):  
Tetsuya Takahashi ◽  
Jens Burghaus ◽  
Denis Music ◽  
Richard Dronskowski ◽  
Jochen M. Schneider
Keyword(s):  
Ab Initio ◽  
Elastic Properties ◽  
Ab Initio Calculation

scholarly journals Ab-Initio Calculation Model for Nanocrystalline Diamond with Non-sp^3 Bonded Region and Its Effect on Elastic Properties

2009 ◽  
Vol 75 (758) ◽  
pp. 1424-1429
Author(s):  
Kenichi TANIGAKI ◽  
Hiroshi TANEI ◽  
Koichi KUSAKABE ◽  
Hirotsugu OGI ◽  
Nobutomo NAKAMURA ◽  
...  
Keyword(s):  
Ab Initio ◽  
Elastic Properties ◽  
Ab Initio Calculation ◽  
Calculation Model ◽  
Nanocrystalline Diamond
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