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MM: Fachverband Metall- und Materialphysik

MM 17: Postersession I

MM 17.35: Poster

Montag, 16. März 2015, 18:00–20:00, Poster E

Molecular dynamics simulation of mechanical properties of dilute α-Fe-C alloys — •Jan Janßen, Nina Gunkelmann, and Herbert M. Urbassek — Physics Department and Research Center OPTIMAS, University Kaiserslautern, Erwin-Schrödinger-Straße, D-67663 Kaiserslautern, Germany

Using molecular dynamics simulation, we study the influence of carbon interstitials on the mechanical properties of α-iron. With increasing carbon concentration we observe an increase of the tetragonal distortion and a decrease of the elastic moduli. Furthermore we analyze various available iron-carbon potentials and compare the results to ab-initio calculations and experimental data.