A new theoretical equation for temperature dependent self-diffusion coefficients of pure liquid metals

2008 ◽  
Vol 99 (1) ◽  
pp. 14-17 ◽  
Author(s):  
George Kaptay
Keyword(s):  
Diffusion Coefficients ◽  
Liquid Metals ◽  
Theoretical Equation ◽  
Pure Liquid ◽  
Temperature Dependent ◽  
Self Diffusion

scholarly journals Self and Chemical Diffusion in Liquid Al-Ag

2016 ◽  
Vol 367 ◽  
pp. 157-166 ◽  
Author(s):  
Marc Engelhardt ◽  
Andreas Meyer ◽  
F. Yang ◽  
G.G. Simeoni ◽  
Florian Kargl
Keyword(s):  
Diffusion Coefficients ◽  
Chemical Diffusion ◽  
Pure Liquid ◽  
Thermodynamic Factor ◽  
Temperature Dependent ◽  
Elastic Neutron ◽  
X Ray ◽  
Self Diffusion ◽  
Elastic Neutron Scattering ◽  
Rich Side

Self-and chemical diffusion coefficients are reported for molten Al-Ag on the Al-rich side of the phase diagram for Ag concentrations of up to 45at% and for pure liquid Ag. Temperature dependent Ag self-diffusion coefficients were obtained using quasi-elastic neutron scattering. Chemical diffusion coefficients were measured in situ by means of X-ray radiography of a long-capillary furnace. A detailed error analysis for the long-capillary experiments is reported. It is shown that perturbing effects can be detected and that accurate chemical diffusion coefficients can be measured with high precision. It is demonstrated based on Al-Ag20at% that the Darken equation appears to be valid for this system with a thermodynamic factor lower than unity. Furthermore, in Al-Ag it appears that Ag self-diffusion for small Ag concentrations is faster than Al-self-diffusion in liquid Al. This contrasts with observations made for other Al-based melts like Al-Ni and Al-Cu.

Theory of transport in liquid metals. I. Calculation of self‐diffusion coefficients

1973 ◽  
Vol 59 (1) ◽  
pp. 15-25 ◽  
Author(s):  
P. Protopapas ◽  
Hans C. Andersen ◽  
N. A. D. Parlee
Keyword(s):  
Diffusion Coefficients ◽  
Liquid Metals ◽  
Self Diffusion

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.

Molecular dynamics simulation of self-diffusion coefficients for liquid metals

2013 ◽  
Vol 22 (8) ◽  
pp. 083101 ◽  
Author(s):  
Yuan-Yuan Ju ◽  
Qing-Ming Zhang ◽  
Zi-Zheng Gong ◽  
Guang-Fu Ji
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Diffusion Coefficients ◽  
Liquid Metals ◽  
Dynamics Simulation ◽  
Self Diffusion

Computer Simulation of Diffusion of Pb-Bi Eutectic in Liquid Sodium by Molecular Dynamics Method

2002 ◽  
Author(s):  
Yingxia Qi ◽  
Minoru Takahashi
Keyword(s):  
Molecular Dynamics ◽  
Diffusion Process ◽  
Diffusion Coefficients ◽  
The Self ◽  
Molecular Dynamics Method ◽  
Pure Liquid ◽  
Empirical Equations ◽  
Potential Candidate ◽  
Self Diffusion ◽  
Dynamics Method

Lead-bismuth eutectic is a potential candidate for coolant of secondary loops of sodium-cooled fast breeder reactors (FBR). The studies on the diffusion of liquid Pb-Bi in liquid Na are carried out corresponding to the case that liquid Pb-Bi leaks to liquid Na by accident. As the diffusion processes are the results of atomic motions, molecular dynamics method has been used to study the diffusion process. The self-diffusion coefficients of pure liquid Pb and Na, and liquid Pb-Bi are calculated and compared with ones by the empirical equations. The discrepancy between them could be eliminated by changing the densities of the liquids. The diffusion of lead-bismuth in sodium is simulated based on the changed densities under which the self-diffusion coefficients of individual liquid metals are close to those by the empirical equations. The simulation results show that the diffusion process of liquid Pb-Bi in liquid Na is a heat releasing process and the density of ternary liquid Na-Pb-Bi is higher than the average value of the densities of liquid Na and liquid Pb-Bi. It is also found that the diffusion coefficients of liquid Pb-Bi in liquid Na are much higher than their self-diffusion coefficients, indicating that liquid Pb-Bi are easy and quickly to diffuse in liquid Na. However, the diffusion coefficient of liquid Na is decreased due to the existence of liquid Pb-Bi, implying that liquid Na-Pb-Bi have a higher viscosity than that of pure liquid Na.

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