Carbon Diffusion in Cementite: A Molecular Dynamics Study

Elena V. Levchenko; Alexander V. Evteev; Irina V. Belova; Graeme E. Murch

doi:10.4028/www.scientific.net/DDF.283-286.24

Paper Titles

On some Conceptual Considerations for the Finite Element Simulation of the Oxygen Out-Diffusion in Ag-MgO Composites
p.1

Numerical Prediction of the Effective Thermal Conductivity of Perforated Hollow Sphere Structures
p.6

Lattice-Based Walks and the Monte Carlo Method for Addressing Mass, Thermal and Elasticity Problems
p.13

Carbon Diffusion in Cementite: A Molecular Dynamics Study
p.24

Diffusion of Interstitial Elements in Ti Alloys Used as Biomaterials
p.30

Diffusion of Nitrogen in Ti-13V-11Cr-3Al Alloys
p.38

Reduction Kinetics of Iron Ore Materials by Gases
p.45

Specific Features of Jahn-Teller Structure Phase Transitions in Nanocrystalline Materials
p.53

HomeDefect and Diffusion ForumDefect and Diffusion Forum Vols. 283-286Carbon Diffusion in Cementite: A Molecular...

Carbon Diffusion in Cementite: A Molecular Dynamics Study

Abstract:

. In this paper, carbon diffusion in cementite is studied by molecular dynamics simulation. An assumption that carbon-carbon interaction occurs only indirectly via neighbouring iron atoms is used. An interstitial mechanism of carbon diffusion in cementite is revealed. The principal tracer diffusion coefficients and activation parameters of carbon diffusion in cementite are calculated for the temperature range 1223-1373 K and compared with the available published experimental data.