Entel, Peter; Meyer, Ralf; Kadau, Kai:
Molecular dynamics simulations of martensitic transformations
In: Philosophical Magazine B: Physics of Condensed Matter, Statistical Mechanics, Electronic, Optical and Magnetic Properties, Vol. 80 (2000), No. 2, pp. 183 - 194
2000article/chapter in journal
Physics (incl. Astronomy)
thp
Title:
Molecular dynamics simulations of martensitic transformations
Author:
Entel, PeterUDE
LSF ID
1127
Other
connected with university
;
Meyer, RalfUDE
LSF ID
13388
Other
connected with university
;
Kadau, Kai
Year of publication:
2000

Abstract:

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.