The Effect of Point Defects Interaction on Hydrogen Atom Diffusion in FCC- and BCC-Metals

Liudmila V. Selezneva; Andrei V. Nazarov

doi:10.4028/www.scientific.net/DDF.277.133

Paper Titles

Extended 'Five-Stream' Model for Diffusion of Implanted Dopants in Silicon during Ultra-Shallow Junction Formation in VLSI Circuits
p.107

Atomic-Migration-Controlled Processes in Intermetallics
p.113

Dependence of Diffusion Paths on Thermodynamic Factors in Ternary Systems
p.119

Simulation of Pressure Effects on Self-Diffusion in BCC Metals
p.125

The Effect of Point Defects Interaction on Hydrogen Atom Diffusion in FCC- and BCC-Metals
p.133

Numerical Simulation of Precipitates Evolution in Iron-Based Alloys
p.141

The Analysis of the Selective Oxidation of Multicomponent Alloy
p.149

Complex Phase Behavior of Systems with Negative Curvature Potentials
p.155

3D Monte Carlo Simulation of Phase Separation Kinetics in a Binary Metallic Alloy with Vacancy Mediated Diffusion: Effect of Initial Supersaturation
p.161

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The Effect of Point Defects Interaction on Hydrogen Atom Diffusion in FCC- and BCC-Metals

Abstract:

This work is devoted to simulation of potential barrier spectrum for hydrogen atom and vacancy jumps in fcc- and bcc- metals taking into account the mutual effect of the point defects on the potential barrier spectrum and as a result the effect on complex defect diffusion in bcc- and fccmetals. The molecular static and the Monte Carlo methods are used. The developed model allows us to determine a diffusion coefficient of the impurity atom depending on temperature and other parameters. The simulation of point defect random walk in lattice on the basis MC-method and potential barrier spectrum has gave an impulse toward an understanding of hydrogen motion on the atomic scale in metals, which is required to determine such important parameters as the diffusion coefficient of H. As well it allows us to understand reasons of more complicated behaviour of H in realistic metal in comparison with perfect metal.