Atomic Mechanism of Carbon Diffusion in Cementite

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

doi:10.4028/www.scientific.net/DDF.277.101

Paper Titles

Cluster Dynamics Simulation of Reactor Pressure Vessel Steels under Irradiation
p.75

The Ageing of Beryllium Bronze in the Pulse Magnetic Field
p.81

The Influence of Ti and Zr on the Diffusion of Isotope ⁶³Ni in the Iron Surface Layer at Electric-Spark Alloying in Carbon Containing Environment
p.87

Effect of an Impulse Loading on Localization of Diffusing Atoms in Metals
p.91

Atomic Mechanism of Carbon Diffusion in Cementite
p.101

Extended 'Five-Stream' Model for Diffusion of Implanted Dopants in Silicon during Ultra-Shallow Junction Formation in VLSI Circuits
p.107

Atomic-Migration-Controlled Processes in Intermetallics
p.113

Dependence of Diffusion Paths on Thermodynamic Factors in Ternary Systems
p.119

Simulation of Pressure Effects on Self-Diffusion in BCC Metals
p.125

HomeDefect and Diffusion ForumDefect and Diffusion Forum Vol. 277Atomic Mechanism of Carbon Diffusion in Cementite

Atomic Mechanism of Carbon Diffusion in Cementite

Abstract:

Molecular dynamics is employed to investigate carbon diffusion in cementite. An approximation that carbon atoms can interact with each other only indirectly (via neighbouring iron atoms) is used. The interstitial mechanism of carbon diffusion in cementite is elucidated. The formation energy of defects (a carbon atom on an interstitial position and a vacant site on a regular carbon position) as well as the migration energy of carbon atoms are estimated in the temperature range 1273–1373 K.