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
Hauptverfasser: Entel, P., Meyer, R., Kadau, K.
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:1364-2812
0141-8637
1463-6417
DOI:10.1080/13642810008208607