Ab-initio study of structural, electronic and elastic properties of cobalt intermetallic compounds

2015 ◽  
Vol 98 ◽  
pp. 226-233 ◽  
Author(s):  
Nikita Acharya ◽  
Bushra Fatima ◽  
Sunil Singh Chouhan ◽  
Sankar P. Sanyal
Keyword(s):  
Ab Initio ◽  
Intermetallic Compounds ◽  
Elastic Properties ◽  
Ab Initio Study

Phonon vibrational frequencies and elastic properties of solid SrFCl. An ab initio study

2005 ◽  
Vol 43 (4) ◽  
pp. 453-461 ◽  
Author(s):  
P. Lab�guerie ◽  
F. Pascale ◽  
M. M�rawa ◽  
C. Zicovich-Wilson ◽  
N. Makhouki ◽  
...  
Keyword(s):  
Ab Initio ◽  
Elastic Properties ◽  
Vibrational Frequencies ◽  
Ab Initio Study

Structural, electronic and elastic properties of alkali hydrides (MH: M=Li, Na, K, Rb, Cs): Ab initio study

2014 ◽  
Vol 84 ◽  
pp. 206-216 ◽  
Author(s):  
G. Sudha Priyanga ◽  
A.T. Asvini Meenaatci ◽  
R. Rajeswara Palanichamy ◽  
K. Iyakutti
Keyword(s):  
Ab Initio ◽  
Elastic Properties ◽  
Ab Initio Study

scholarly journals THE RESPONSE OF TITANIUM AND TUNGSTEN NANOWIRES TO MECHANICAL STRESS: AB INITIO STUDY

2020 ◽  
Author(s):  
Andrey Chibisov ◽  
Mary Chibisova
Keyword(s):  
Density Functional Theory ◽  
Ab Initio ◽  
Mechanical Stress ◽  
Young’S Modulus ◽  
Elastic Properties ◽  
Density Functional ◽  
Bulk Material ◽  
Ab Initio Study ◽  
Functional Theory ◽  
And Tungsten

Using density functional theory, we studied the atomic, electronic and elastic properties of titanium and tungsten nanowires oriented in the [0001] and [111] directions, respectively. It was found that the Young’s modulus for W nanowire is 1.8 times smaller than the value for bulk tungsten, but for titanium nanowire is three times greater than the value for the bulk material.

Ab initio study of the elastic properties of sodium chloride at high pressure

2010 ◽  
Vol 405 (9) ◽  
pp. 2175-2180 ◽  
Author(s):  
Lei Liu ◽  
Yan Bi ◽  
Jian Xu ◽  
Xiangrong Chen
Keyword(s):  
High Pressure ◽  
Sodium Chloride ◽  
Ab Initio ◽  
Elastic Properties ◽  
Ab Initio Study

Structural, electronic, vibrational, and elastic properties of SWCNTs doped with B and N: an ab initio study

2013 ◽  
Vol 67 (8) ◽  
Author(s):  
Raúl Arturo Espejel-Morales ◽  
Sinhué López-Moreno ◽  
Alipio Gustavo Calles ◽  
Jose Luis Morán-López
Keyword(s):  
Ab Initio ◽  
Elastic Properties ◽  
Ab Initio Study
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