Study of dynamic properties for NaK binary liquid alloy using first principle and theoretical predictions of isothermal bulk modulus using elastic constants

2014 ◽  
Author(s):  
Anil Thakur ◽  
Nalini Sharma ◽  
Rajinder Kashyap ◽  
P. K. Ahluwalia
Keyword(s):  
Bulk Modulus ◽  
Elastic Constants ◽  
Liquid Alloy ◽  
Dynamic Properties ◽  
First Principle ◽  
Isothermal Bulk Modulus ◽  
Binary Liquid Alloy ◽  
Binary Liquid ◽  
Theoretical Predictions

Interband Effects in the Coherent Potential Approximation: Simple Two Band Model

1975 ◽  
Vol 53 (11) ◽  
pp. 1109-1113
Author(s):  
M. L. Glasser ◽  
P. R. Sievert
Keyword(s):  
Band Gap ◽  
Liquid Alloy ◽  
Band Model ◽  
Band Broadening ◽  
Potential Approximation ◽  
Binary Liquid Alloy ◽  
Binary Liquid ◽  
Interband Interaction ◽  
C 50 ◽  
Two Band Model

The CPA is applied to a two band separable pseudopotential model for a hot binary liquid alloy. The variation of the band gap with concentration is strictly linear, but the band broadening is found to be asymmetric about C = 50% and to depend in a complicated way on interband interaction.

ELECTRONIC AND ELASTIC PROPERTIES OF MgAl2O4 SPINEL AT HIGH ISOSTATIC PRESSURE: FIRST PRINCIPLE STUDY

2009 ◽  
Vol 23 (06n07) ◽  
pp. 1695-1700 ◽  
Author(s):  
MEILING LI ◽  
FENGJIU SUN ◽  
PING ZHANG
Keyword(s):  
Bulk Modulus ◽  
Elastic Constants ◽  
Nearest Neighbor ◽  
Structural Instability ◽  
High Symmetry ◽  
First Principle ◽  
Lattice Constants ◽  
Bond Lengths ◽  
Energy Gaps ◽  
Internal Parameters

The calculations of mechanic and electronic properties for MgAl 2 O 4 spinel under pressure are presented by first principle. The lattice constants and internal parameters are in good agreement with the available experimental results. The calculations for bulk modulus, elastic constants, energy gaps, bond lengths for the nearest neighbor cation- O anion and their pressure dependence show an increase of bulk modulus, elastic constants, energy gaps in high symmetry and a decrease of cation- O anion bond lengths. A transition from indirect gap material to direct one is found due to applying pressure. Up to 70GPa, there is no sign of structural instability.

Dynamics of concentration fluctuations in a heterocoordinated binary liquid alloy

1983 ◽  
Vol 28 (10) ◽  
pp. 5583-5598 ◽  
Author(s):  
M. Soltwisch ◽  
D. Quitmann ◽  
H. Ruppersberg ◽  
J. B. Suck
Keyword(s):  
Liquid Alloy ◽  
Concentration Fluctuations ◽  
Binary Liquid Alloy ◽  
Binary Liquid

BUTADIENE YIELDS IN THE REACTIONS OF BUTENES OVER BINARY LIQUID ALLOY CATALYSTS CONTAINING K OR Na

1980 ◽  
Vol 9 (5) ◽  
pp. 553-556 ◽  
Author(s):  
Kazuaki Honda ◽  
Katsumi Takahashi ◽  
Yoshisada Ogino
Keyword(s):  
Liquid Alloy ◽  
Binary Liquid Alloy ◽  
Binary Liquid ◽  
Alloy Catalysts

scholarly journals Vapor Pressure of Zinc in Tin-Zinc Binary Liquid Alloy

1960 ◽  
Vol 33 (10) ◽  
pp. 1345-1349 ◽  
Author(s):  
Kichizo Niwa ◽  
Toshio Yokokawa ◽  
Harue Wada
Keyword(s):  
Vapor Pressure ◽  
Liquid Alloy ◽  
Binary Liquid Alloy ◽  
Binary Liquid

Analysis of elastic constants and thermal energy of ionic materials

2011 ◽  
Vol 89 (11) ◽  
pp. 1111-1117
Author(s):  
S.K. Srivastava
Keyword(s):  
Bulk Modulus ◽  
Temperature Dependence ◽  
Linear Relationship ◽  
Elastic Constants ◽  
Thermal Energy ◽  
Room Temperature ◽  
Isothermal Bulk Modulus ◽  
Volume Dependence ◽  
Ionic Materials ◽  
Different Temperatures

Expressions for the temperature dependence of elastic constants have been formulated by taking into account volume dependence of the Anderson–Grüneisen parameters. These expressions have been applied to ionic materials such as NaCl, KCl, MgO, and CaO to determine elastic constants at different temperatures. It is found that the linear relationship between isothermal bulk modulus and thermal energy (Eth) is also applicable to other elastic constants. This linear relationship is valid, starting from room temperature.

scholarly journals High Temperature Assessment of K-Tl Binary Liquid Alloy

2020 ◽  
Vol 6 (2) ◽  
pp. 20-25
Author(s):  
N. Panthi ◽  
I. B. Bhandari ◽  
R. C. Pangeni ◽  
I. Koirala
Keyword(s):  
Surface Tension ◽  
High Temperature ◽  
Thermodynamic Properties ◽  
Liquid Alloy ◽  
Theoretical Study ◽  
High Concentration ◽  
Temperature Dependent ◽  
Binary Liquid Alloy ◽  
Binary Liquid ◽  
Exponential Interaction

Theoretical study of thermodynamic properties of binary liquid Potassium-Thallium alloy at temperatures 798 K, 1000 K, 1200 K and 1400 K have been analyzed as a function of concentration by considering temperature dependent exponential interaction parameters in the framework of R-K polynomials. The viscosity and surface tension of the alloy have been studied by BBK model and improved derivation of Butler equation respectively. The study provides the information of moderately interacting as well as segregating nature at the low concentration of Thallium and ordering nature at high concentration of Thallium and the viscosity and surface tension of the alloy decrease with increase in temperature.

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