Transport and Surface Properties of Liquid Metals using their Diffusion Data

2016 ◽  
Vol 4 (2) ◽  
pp. 137-140
Author(s):  
R. Lalneihpuii ◽  
◽  
Raj Kumar Mishra
Keyword(s):  
Surface Properties ◽  
Potential Surface ◽  
Liquid Metals ◽  
Excess Entropy ◽  
Scaling Law ◽  
Atomic Diffusion ◽  
Self Diffusion ◽  
Square Well ◽  
Self Diffusion Coefficient ◽  
Good Agreement

The atomic diffusion in liquid Na, K, Cs, Mg, Al, In and Pb have been evaluated from the well-known Einstein’s formula of self-diffusion coefficient, D  D  kBT ⎞ under square well (SW) interaction. The friction coefficient, ( of liquid    ⎝ ⎠ metals has been computed on the basis of Helfand-Rice-Nachtrieb approach under Helfand’s linear trajectory (LT) approximation. Shear viscosity of liquid metals were determined using modified Stokes-Einstein equation for SW potential. Dzugutov’s scaling was modified for SW interaction and has been employed to compute excess entropy of the considered liquids. The isothermal compressibility of liquid metals was determined using equation of state of SW potential. Surface entropy of these liquids has been determined through temperature derivative of surface tension. Dzugutov’s scaling law has also been tested in these liquid metals. It is found that the various transport and surface properties of these liquid metals extracted from the diffusion coefficients are in a good agreement with the experimental data.

Vacancy Formation Energy and Kinetic Properties of Liquid Metals

2021 ◽  
Vol 880 ◽  
pp. 43-48
Author(s):  
Yuri N. Starodubtsev ◽  
V.S. Tsepelev
Keyword(s):  
Diffusion Coefficient ◽  
Kinematic Viscosity ◽  
Formation Energy ◽  
Liquid Metals ◽  
Linear Regression Analysis ◽  
Vacancy Formation Energy ◽  
Vacancy Formation ◽  
Kinetic Properties ◽  
Self Diffusion ◽  
Self Diffusion Coefficient

We investigated the relationship of the vacancy formation energy with kinematic viscosity and self-diffusion coefficient in liquid metals at the melting temperature. Formulas are obtained that relate experimental values of the vacancy formation energy, kinematic viscosity, and self-diffusion coefficient to the atomic size and mass, the melting and Debye temperatures. The viscosity and self-diffusion parameters are introduced. The ratio of these parameters to vacancy formation energy is equal to dimensionless constants. It is shown that the formulas for viscosity and self-diffusion differ only in dimensionless constants; the values of these constants are calculated. Linear regression analysis was carried out and formulas with the highest adjusted coefficient of determination were identified. The calculated values of the self-diffusion coefficient for a large number of liquid metals are presented.

STRUCTURAL AND DYNAMICAL PROPERTIES OF LIQUID PD–AG ALLOYS

2004 ◽  
Vol 18 (16) ◽  
pp. 2257-2269 ◽  
Author(s):  
H. H. KART ◽  
M. TOMAK ◽  
M. ULUDOĞAN ◽  
T. ÇAĞIN
Keyword(s):  
Liquid Metals ◽  
Theoretical Calculations ◽  
Dynamics Simulation ◽  
Pure Liquid ◽  
Many Body ◽  
Self Diffusion ◽  
Dynamical Properties ◽  
Effects Of Temperature ◽  
Potential Parameters ◽  
Good Agreement

Structural and dynamical properties of Pd, Ag pure liquid metals and especially Pd x Ag 1-x alloys are studied by the molecular dynamics simulation. The effects of temperature and concentration on the liquid properties of Pd x Ag 1-x are analyzed. Sutton–Chen (SC) and Quantum Sutton–Chen (Q–SC) many-body potentials are used as interatomic interactions. The calculated diffusion constants and viscosities are in good agreement with the available experimental data and theoretical calculations. The coefficients of Arrhenius equation are also presented to calculate the self-diffusion coefficient and shear viscosity of Pd–Ag alloys at the desired temperature and concentration. We have shown that Q–SC potential parameters are more reliable in determining physical properties of metals and their alloys studied in this work.

Diffusion model for the crystal growth of Pr1+xBa2−xCu3O7–δ by the top seeded crystal pulling method

1997 ◽  
Vol 12 (11) ◽  
pp. 2880-2888 ◽  
Author(s):  
Minoru Tagami ◽  
Takateru Umeda ◽  
Yuh Shiohara
Keyword(s):  
Ternary Phase Diagram ◽  
Diffusion Flux ◽  
Growth Interface ◽  
Self Diffusion ◽  
Solidification Model ◽  
Flux Balance ◽  
Tie Lines ◽  
Rich Liquid ◽  
Self Diffusion Coefficient ◽  
Good Agreement

A solidification model for Pr1+xBa2−xCu3O7−δ ternary oxides by the top seeded crystal pulling (SRL–CP: Solute Rich Liquid–Crystal Pulling) method is presented in which the composition of the grown single crystals is estimated from the starting composition in the crucible. This model involves the diffusion flux balance of each element at the growth interface in the liquid considering equilibrium tie-lines in the PrOy–BaO–CuO ternary phase diagram which have been obtained experimentally. The self-diffusion coefficient for Pr and the interdiffusivities for Ba and Cu in the liquid are used in this model because this liquid is a dilute solution for Pr. The calculated results are in good agreement with the experimental ones.

The hard-sphere and square-well models for the surface properties of liquid metals

1979 ◽  
Vol 67 (2-3) ◽  
pp. 397-398 ◽  
Author(s):  
P.K. Chakrabarti ◽  
T. Nammalvar ◽  
R.C. Sastri
Keyword(s):  
Surface Properties ◽  
Hard Sphere ◽  
Liquid Metals ◽  
Square Well ◽  
Well Models

scholarly journals Self Diffusion in Liquid Metals

1975 ◽  
Vol 30 (5) ◽  
pp. 619-622
Author(s):  
R. V. Gopala Rao ◽  
A. K. Murthy
Keyword(s):  
Liquid Metals ◽  
Soft Part ◽  
Pair Potential ◽  
Spherical Model ◽  
Liquid Structure ◽  
Self Diffusion ◽  
Mean Spherical Model ◽  
The Mean ◽  
Square Well ◽  
Theory And Experiment

AbstractSelf-diffusion coefficients of liquid metals have been calculated according to the linear trajectory prescription. The soft part of the pair potential is being represented by a square well potential. The theoretical liquid structure factor, S(q), calculated under the mean spherical model (MSM) approximation, has been employed in the present calculations. The agreement between theory and experiment is encouraging and shows that the representation of the attractive forces by the square well potential is quite satisfactory for liquid metals.

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