Monte Carlo and lattice-dynamics studies of the thermal and elastic properties of a rigid-ion model of sodium chloride

1988 ◽  
Vol 38 (15) ◽  
pp. 10820-10829 ◽  
Author(s):  
Zhaoxin Gong ◽  
G. K. Horton ◽  
E. R. Cowley
Keyword(s):  
Monte Carlo ◽  
Sodium Chloride ◽  
Elastic Properties ◽  
Lattice Dynamics ◽  
Rigid Ion Model

Effect of agglomeration and dispersion on the elastic properties of polymer nanocomposites: A Monte Carlo finite element analysis

2016 ◽  
Vol 58 (3) ◽  
pp. 269-279 ◽  
Author(s):  
Hassan S. Hedia ◽  
Saad M. Aldousari ◽  
Ahmed K. Abdellatif ◽  
Gamal S. Abdelhaffez
Keyword(s):  
Finite Element Analysis ◽  
Finite Element ◽  
Monte Carlo ◽  
Polymer Nanocomposites ◽  
Elastic Properties ◽  
Element Analysis

Rigid ion model of lattice dynamics - A re-evaluation

1971 ◽  
Vol 9 (3) ◽  
pp. 185-189 ◽  
Author(s):  
K.V. Namjoshi ◽  
S.S. Mitra ◽  
J.F. Vetelino
Keyword(s):  
Lattice Dynamics ◽  
Rigid Ion Model

scholarly journals Elastic properties and lattice dynamics of ruthenium at high pressures

2014 ◽  
Vol 490 ◽  
pp. 012059 ◽  
Author(s):  
A V Lugovskoy ◽  
M P Belov ◽  
Yu Kh Vekilov ◽  
O M Krasilnikov
Keyword(s):  
Elastic Properties ◽  
Lattice Dynamics ◽  
High Pressures

scholarly journals Lattice Dynamics of Simple Harmonic and Anharmonic Shell Models

1967 ◽  
Vol 20 (5) ◽  
pp. 495 ◽  
Author(s):  
J Oitmaa
Keyword(s):  
Dipole Moment ◽  
Shell Model ◽  
Lattice Dynamics ◽  
Higher Order ◽  
Force Constants ◽  
Dynamical Equations ◽  
Normal Coordinates ◽  
Shell Models ◽  
Rigid Ion Model ◽  
Explicit Expressions

The lattice dynamics of harmonic and anharmonic shell models are reviewed. It is shown that the various dynamical equations for the shell model can be expressed in the same form as those for the rigid ion model, but with modified force constants. The anharmonic shell model leads to higher order contributions to the dipole moment, quadratic and cubic in the normal coordinates, for which explicit expressions are obtained.

The quantum theory of lattice dynamics. III

1969 ◽  
Vol 310 (1500) ◽  
pp. 101-109 ◽  
Keyword(s):  
Quantum Theory ◽  
Lattice Dynamics ◽  
Electronic Contribution ◽  
Body Interaction ◽  
Rigid Ion Model

The electronic contribution to the dynamical tensors is examined in more detail and the following results are obtained. First the electronic contribution is shown to be translationally invariant, secondly the assumption that this term can be approximately represented by a two-body interaction is shown to be equivalent to a rigid ion model, and finally this approximation is shown to become exact in the limit q = 0.

scholarly journals Lattice dynamics and elastic properties of lanthanum monopnictides

2008 ◽  
Vol 147 (5-6) ◽  
pp. 221-225 ◽  
Author(s):  
Gökhan Gökoğlu ◽  
Aytaç Erkişi
Keyword(s):  
Elastic Properties ◽  
Lattice Dynamics

THEORETICAL INVESTIGATION OF THE ELASTIC PROPERTIES AND LATTICE DYNAMICS OF THE MgSxSe1-x ALLOY

2007 ◽  
Vol 21 (05) ◽  
pp. 249-259 ◽  
Author(s):  
K. BOUAMAMA ◽  
P. DJEMIA
Keyword(s):  
Elastic Properties ◽  
First Principles ◽  
Lattice Dynamics ◽  
Density Functional ◽  
Local Density ◽  
Lattice Parameter ◽  
First Principles Calculations ◽  
Virtual Crystal Approximation ◽  
Functional Theory ◽  
Density Functional Perturbation Theory

Structural and elastic properties as well as lattice dynamics of ternary MgS x Se 1-x alloy have been studied using first-principles calculations. These are done using density functional theory (DFT) and density functional perturbation theory (DFPT) within the local density approximation (LDA) and employing the virtual-crystal approximation (VCA). We found that the lattice parameter, the elastic constants and the phonon frequencies follow a quadratic law in x.

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