Paper Title:
Molecular Dynamics Study of Carbon Diffusion in Austenite
  Abstract

The mmolecular dynamics method is applied to investigate carbon interstitial diffusion in austenite at low carbon content. An approximation that carbon atoms can interact with each other only indirectly (via neighbouring iron atoms) is used. Sets of Arrhenius parameters of interstitial carbon jump frequencies identified by the four-frequency model are determined. Comparison of the molecular dynamics results with experimental data analysis in the context of the four-frequency model is performed. It is shown that the four-frequency model may not be adequate to describe the carbon diffusion process. To improve the analytical model the specific role of the transition probabilities during association and dissociation of the first nearest neighbour carbon pairs through the second neighbour sites should be considered. The direct repulsion between the carbon first neighbour positions should be also taken into account in molecular dynamics simulation.

  Info
Periodical
Defect and Diffusion Forum (Volumes 258-260)
Edited by
Andreas Öchsner and José Grácio
Pages
253-258
DOI
10.4028/www.scientific.net/DDF.258-260.253
Citation
A. V. Evteev, E. V. Levchenko, I. V. Belova, G. E. Murch, "Molecular Dynamics Study of Carbon Diffusion in Austenite", Defect and Diffusion Forum, Vols. 258-260, pp. 253-258, 2006
Online since
October 2006
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Price
$32.00
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