scholarly journals Elastic constants of body-centered-cubic titanium monocrystals

2004 ◽  
Vol 95 (9) ◽  
pp. 4642-4644 ◽  
Author(s):  
Hassel Ledbetter ◽  
Hirotsugu Ogi ◽  
Satoshi Kai ◽  
Sudook Kim ◽  
Masahiko Hirao
Keyword(s):  
Elastic Constants ◽  
Body Centered Cubic

FIRST-PRINCIPLES HIGH-PRESSURE ELASTIC AND THERMODYNAMIC PROPERTIES OF TANTALUM

2011 ◽  
Vol 25 (10) ◽  
pp. 1393-1407 ◽  
Author(s):  
JING-HE WU ◽  
XIAN-LIN ZHAO ◽  
YOU-LIN SONG ◽  
GUO-DONG WU
Keyword(s):  
Thermodynamic Properties ◽  
Elastic Constants ◽  
First Principles ◽  
Equations Of State ◽  
Debye Model ◽  
Thermal Expansivity ◽  
Orbital Method ◽  
Full Potential ◽  
Body Centered Cubic ◽  
Theoretical Results

The all-electron full-potential linearized muffin-tin orbital method, by means of quasi-harmonic Debye model, is applied to investigate the elastic constant and thermodynamic properties of body-centered-cubic tantalum (bcc Ta). The calculated elastic constants of bcc Ta at 0 K is consistent with the previous experimental and theoretical results. Our calculations give the correct trends for the pressure dependence of elastic constants. By using the convenient quasi-harmonic Debye model, we refined the thermal equations of state. The thermal expansivity and some other thermal properties agree well with the previous experimental and theoretical results.

Elastic constants of body-centered-cubic cobalt films

1994 ◽  
Vol 49 (24) ◽  
pp. 17319-17324 ◽  
Author(s):  
S. Subramanian ◽  
R. Sooryakumar ◽  
G. A. Prinz ◽  
B. T. Jonker ◽  
Y. U. Idzerda
Keyword(s):  
Elastic Constants ◽  
Body Centered Cubic ◽  
Cobalt Films

Dislocation Contribution to the Elastic Constants of Body-Centered Cubic Crystals

1962 ◽  
Vol 127 (2) ◽  
pp. 501-502 ◽  
Author(s):  
Bal Krishna Agrawal ◽  
G. S. Verma
Keyword(s):  
Elastic Constants ◽  
Body Centered Cubic ◽  
Cubic Crystals

An effective ion–ion potential for sodium

1970 ◽  
Vol 48 (12) ◽  
pp. 1480-1489 ◽  
Author(s):  
Z. S. Basinski ◽  
M. S. Duesbery ◽  
A. P. Pogany ◽  
Roger Taylor ◽  
Y. P. Varshni
Keyword(s):  
Matrix Element ◽  
Plane Wave ◽  
Excellent Agreement ◽  
Elastic Constants ◽  
Cohesive Energy ◽  
Electron Gas ◽  
Body Centered Cubic ◽  
Specific Heats ◽  
Ion Separation ◽  
Atomic Properties

The effective ion–ion interaction for sodium is calculated from a fundamental basis, using a one-orthogonalized plane wave (OPW) bare electron – ion matrix element, and the Geldart and Taylor electron gas screening function. Particular attention is paid to the form of the interaction for asymptotically large ion–ion separation, and it is shown that this interaction varies approximately as the fifth power of the ion–ion separation in the region in which the amplitude of the potential is appreciable. The elastic constants, cohesive energy, and the specific heats of body-centered cubic (b.c.c.) and close-packed sodium are shown to be in excellent agreement with experiment. The equilibrium and stability of the model sodium lattice described by the proposed potential are discussed, and it is concluded that the potential can be used tentatively in a fundamental calculation of atomic properties of defects.

scholarly journals Elastic constants of pure body-centered cubic Mg in nanolaminates

2020 ◽  
Vol 174 ◽  
pp. 109501 ◽  
Author(s):  
Yanqing Su ◽  
Milan Ardeljan ◽  
Marko Knezevic ◽  
Manish Jain ◽  
Siddhartha Pathak ◽  
...  
Keyword(s):  
Elastic Constants ◽  
Body Centered Cubic
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