Carbon diffusion in cementite was studied. The assumption that carbon-carbon interaction occurred only indirectly via neighbouring iron atoms was used. An interstitial mechanism for carbon diffusion in cementite was revealed. The principal tracer diffusion coefficients and activation parameters of carbon diffusion in cementite were calculated at 1223 to 1373K and compared with available published experimental data.

Carbon Diffusion in Cementite: a Molecular Dynamics Study. Levchenko, E.V., Evteev, A.V., Belova, I.V., Murch, G.E.: Defect and Diffusion Forum, 2008, 283-286, 24-9