期刊
MATERIALS SCIENCE AND TECHNOLOGY
卷 33, 期 7, 页码 822-835出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/02670836.2016.1204064
关键词
Molecular dynamics simulation; Martensitic transformation; Iron; Potential
资金
- European Research Council under the European Union's Seventh Framework Programme FP7/ERC grant [306292]
Molecular dynamics (MD) simulation has been used to study the martensitic transformation in iron at the atomic scale. The paper reviews the available interatomic interaction potentials for iron, which describe the properties of different phases present in that system. Cases on the fcc-to-bcc transformation in iron by MD simulations were included in the present paper. Factors affecting the fcc-to-bcc transformation in iron were analysed: (a) structural factors, such as grain/phase boundaries, grain sizes and stacking faults; (b) simulation conditions, such as the presence of free surfaces, external stress/strain and studied temperatures; (c) the interatomic interaction potential. The main emphasis of the present paper is on results giving insight on the mechanisms of the nucleation and growth of bcc phase in iron.
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