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Influence of the Crystal Surface on the Austenitic and Martensitic Phase Transition in Pure Iron

  • Using classical molecular dynamics simulations, we studied the influence that free surfaces exert on the austenitic and martensitic phase transition in iron. For several single-indexed surfaces—such as (100)bcc and (110)bcc as well as (100)fcc and (110)fcc surfaces—appropriate pathways exist that allow for the transformation of the surface structure. These are the Bain, Mao, Pitsch, and Kurdjumov–Sachs pathways, respectively. Tilted surfaces follow the pathway of the neighboring single-indexed plane. The austenitic transformation temperature follows the dependence of the specific surface energy of the native bcc phase; here, the new phase nucleates at the surface. In contrast, the martensitic transformation temperature steadily decreases when tilting the surface from the (100)fcc to the (110)fcc orientation. This dependence is caused by the strong out-of-plane deformation that (110)fcc facets experience under the transformation; here, the new phase also nucleates in the bulk rather than at the surface.

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Author:Jerome Meiser, Herbert M. Urbassek
URN (permanent link):urn:nbn:de:hbz:386-kluedo-55342
Publisher:MDPI
Document Type:Article
Language of publication:English
Publication Date:2018/12/14
Year of Publication:2018
Publishing Institute:Technische Universität Kaiserslautern
Creating Corporation:Technische Universität Kaiserslautern
Date of the Publication (Server):2019/03/04
Tag:iron; molecular dynamics simulation; solid-solid phase transition; surface
Number of page:17
Source:https://www.mdpi.com/2073-4352/8/12/469/htm
Faculties / Organisational entities:Fachbereich Physik
DDC-Cassification:5 Naturwissenschaften und Mathematik / 530 Physik
Collections:Open-Access-Publikationsfonds
Licence (German):Zweitveröffentlichung