期刊
COMPUTATIONAL MATERIALS SCIENCE
卷 81, 期 -, 页码 170-177出版社
ELSEVIER
DOI: 10.1016/j.commatsci.2013.08.005
关键词
Solid-solid phase transition; Molecular dynamics simulation; Interface; Nishiyama-Wassermann orientation relationship; Martensitic transformation; Microstructure
资金
- Deutsche Forschungsgemeinschaft [Sonderforschungsbereich 926]
Using molecular-dynamics simulation, we study the dependence of the martensitic (cc -> bcc) and of the austenitic (bcc -> fcc) phase transformation in Fe. By using a bi-phasic crystal containing an fcc-bcc interface, both heterogeneous and homogeneous phase growth can be studied. We focus on the dependence of the phase-growth dynamics on the available volume and show that in large volumes, homogeneous phase nucleation is favored at the cost of heterogeneous growth. In addition, we study the influence of the interface geometry on the phase transformation behavior. We find that, while the interface roughens in both cases, a Kurdjumov-Sachs interface geometry leads to a dendritic interface growth, while the Nishiyama-Wassermann interface geometry remains globally planar. (C) 2013 Elsevier B.V. All rights reserved.
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