Paper Title:
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.

  Info
Periodical
Edited by
D.Beke, A.Gusak, G.Murch, J.Philibert
Pages
133-138
DOI
10.4028/www.scientific.net/DDF.277.133
Citation
L. V. Selezneva, A. V. Nazarov, "The Effect of Point Defects Interaction on Hydrogen Atom Diffusion in FCC- and BCC-Metals ", Defect and Diffusion Forum, Vol. 277, pp. 133-138, 2008
Online since
April 2008
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Liudmila V. Selezneva, Andrei V. Nazarov
Abstract:This work is devoted to simulation of interstitial atom diffusion in fcc metals with point defects. We used the molecular static and the...
1275
Authors: Irina Valikova, Andrei V. Nazarov, Alexandr A. Mikheev
Abstract:This work is devoted to the simulation of atom configurations in bcc metals near the point defect using the molecular static method. The...
55
Authors: Martin Leitner, Doris Vogtenhuber, Wolfgang Pfeiler, Wolfgang Püschl
Abstract:Kinetic Monte Carlo (KMC) simulation is a valuable tool to investigate configu-ration changes in intermetallic compounds. The elementary...
1022
Authors: Xin Tan, Yu Qing Li, Xue Jie Liu, De Gong Liu
Abstract:The structural and elastic properties of HfN and Hf-Si-N have been studied, using first principles calculations based on the density...
22
Authors: Andrei V. Nazarov, Alexander Mikheev, Irina Valikova, Alexander Zaluzhnyi
Abstract:Elastic fields, generating by precipitates, cracks, dislocations and other defects of the structure, influence the diffusion processes. It...
1156