Molecular-dynamics study of the alpha <-> gamma phase transition in Fe-C

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Details zur Publikation

Autorinnen und Autoren: Gunkelmann N, Wang B, Sak-Saracino E, Urbassek HM
Zeitschrift: Computational Materials Science
Verlag: Elsevier
Jahr der Veröffentlichung: 2014
Band: 82
Seitenbereich: 399-404
ISSN: 0927-0256
Sprache: Englisch


Using molecular dynamics simulation, we study the austenitic and the martensitic solid-solid phase transformation in the Fe-C system. Random alloys with C contents up to 1 at% are subjected to a heating/cooling cycle. The martensite and austenite phase transition temperatures can be determined from the hysteresis of the system volume with temperature. The martensite temperature decreases with C content, as in experiment. The influence of the C atom position on the phase transformation and the pathways of the transition are analyzed. The transformed austenite phase shows strong twinning. (C) 2013 Elsevier B.V. All rights reserved.

FAU-Autorinnen und Autoren / FAU-Herausgeberinnen und Herausgeber

Gunkelmann, Nina Dr.
Lehrstuhl für Multiscale Simulation of Particulate Systems


Gunkelmann, N., Wang, B., Sak-Saracino, E., & Urbassek, H.M. (2014). Molecular-dynamics study of the alpha <-> gamma phase transition in Fe-C. Computational Materials Science, 82, 399-404.

Gunkelmann, Nina, et al. "Molecular-dynamics study of the alpha <-> gamma phase transition in Fe-C." Computational Materials Science 82 (2014): 399-404.


Zuletzt aktualisiert 2018-30-06 um 09:23