Berlin 2012 – wissenschaftliches Programm

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MM: Fachverband Metall- und Materialphysik

MM 17: Poster Session

MM 17.3: Poster

Montag, 26. März 2012, 17:00–19:00, Poster B

Atomistic study of the elastic properties of alpha' martensite crystals — •Nina Gunkelmann and Herbert M. Urbassek — Fachbereich Physik und Forschungszentrum OPTIMAS, Universität Kaiserslautern, Erwin-Schrödinger-Straße, D-67663 Kaiserslautern

Material phycisists have long-standing experience in modeling of pure iron by atomistic simulations. There exist a number of interaction potentials describing the properties of this material. In contrast, only a few interatomic potentials have been developed for the iron-carbon system; these have not yet been fully characterized with respect to the mechanical properties of martensitic crystallites. This seems surprising because of the high-technologic importance of steel. In this work the elastic properties of iron-carbon crystals are characterized using molecular dynamics simulation and compared with available experimental data.