Molecular dynamics simulations of martensitic transitions
Structural phase transformations in the ferromagnetic Fe-Ni alloys are discussed on the basis of first-principles and molecular dynamics simulations. In the molecular dynamics study, effective potentials have been used which were derived by the embedded-atom method. The simulations reproduce fairly...
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| Veröffentlicht in: | Philosophical magazine. B, Physics of condensed matter. Structural, electronic, optical, and magnetic properties. Physics of condensed matter. Structural, electronic, optical, and magnetic properties., 2000-02, Vol.80 (2), p.183-194 |
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| container_end_page | 194 |
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| container_issue | 2 |
| container_start_page | 183 |
| container_title | Philosophical magazine. B, Physics of condensed matter. Structural, electronic, optical, and magnetic properties. |
| container_volume | 80 |
| creator | Entel, P. Meyer, R. Kadau, K. |
| description | Structural phase transformations in the ferromagnetic Fe-Ni alloys are discussed on the basis of first-principles and molecular dynamics simulations. In the molecular dynamics study, effective potentials have been used which were derived by the embedded-atom method. The simulations reproduce fairly well the austenitic transformation upon heating while, for the martensitic transformation upon cooling, a large number of lattice defects are needed. Shape-memory effects of the Fe-Ni alloys are also observed. |
| doi_str_mv | 10.1080/13642810008208607 |
| format | Article |
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| ispartof | Philosophical magazine. B, Physics of condensed matter. Structural, electronic, optical, and magnetic properties., 2000-02, Vol.80 (2), p.183-194 |
| issn | 1364-2812 0141-8637 1463-6417 |
| language | eng |
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| source | Periodicals Index Online; Taylor & Francis Journals Complete |
| title | Molecular dynamics simulations of martensitic transitions |
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