Effect of impurities on growth and morphology of cementite nanowires

Details Effect of impurities on growth and morphology of cementite nanowires Effect of impurities on growth and morphology of cementite nanowires

2012-01-25

arxiv.org/abs/1201.5327v1

Physics

Condensed Matter

Materials Science

11 pages, 3 figures

Scientific paper

Effects of doping on morphology of iron carbide (cementite) nanowires have been explored by first principle electronic structure calculations. We examined the role of several realistic impurities (Si, Mn, V, P and S) in the formation energies of the cementite nanowires with different sizes and morphologies. It is shown that the presence of the impurities decreases the formation energy and can switch the preferable axis of the cementite nanowire growth. The conditions of the formation and decomposition of cementite nanowires in steels are also discussed.

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