Paper Title:
Computer Simulation of Fe Diffusion in Liquid Al and along Al Grain Boundaries
  Abstract

We performed molecular dynamics simulation of diffusion along symmetric <100> 5 and <111> 7 and one non-symmetric <100> 5 tilt grain boundaries in Al in the presence of Fe impurities. The simulation results are in reasonable agreement with available experimental data. The addition of Fe considerably decreases both Al and Fe diffusivities and increases the activation energy for diffusion. The simulation data indicate that the mechanism of diffusion is different in different grain boundaries. The diffusion along <100> 5 grain boundaries reminds that in liquid alloys.

  Info
Periodical
Defect and Diffusion Forum (Volumes 309-310)
Edited by
B.S. Bokstein, A.O. Rodin and B.B. Straumal
Pages
223-230
DOI
10.4028/www.scientific.net/DDF.309-310.223
Citation
M. I. Mendelev, A.O. Rodin, B. S. Bokstein, "Computer Simulation of Fe Diffusion in Liquid Al and along Al Grain Boundaries", Defect and Diffusion Forum, Vols. 309-310, pp. 223-230, 2011
Online since
March 2011
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: Antônio Claret Soares Sabioni, Anne Marie Huntz, F. Silva, François Jomard
Abstract:Chromia protective layers are used to prevent corrosion by oxidation of many alloys, such as the stainless steels, for instance. To check if...
940
Authors: Vladimir V. Popov
Abstract:Possibilities of grain-boundary diffusion and segregation studies using nuclear gammaresonance spectroscopy (NGR) are considered. It is...
497
Authors: Yu Dong Fu, Gang Wang, Chen Liu, Qing Fen Li
Abstract:In the present paper, the non-equilibrium grain-boundary segregation of P atom was studied in low alloy steels subjected to a low tensile...
396
Authors: Sergiy V. Divinski, Boris S. Bokstein
Abstract:Some unresolved problems of grain boundary diffusion – restrictions of Fisher-Gibbs model, refinement of the conditions for B- and C-regimes,...
1
Authors: D. Prokoshkina, A.O. Rodin, V. Esin
Chapter 3: Nanomaterials and Grain Boundaries
Abstract:The temperature dependence of the bulk diffusion coefficient of Fe in Cu is determined by EDX in the temperature range from 923 to 1273 K, ,...
171