1995
DOI: 10.1051/jp4:1995219
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Abstract: Abstract:We present results of molecular dynamics simulations of disordered iron-nickel alloys. In particular we discuss the a-y transition and associated anharmonic properties by making use of semiempirical potentials. Our results show that the structural transformation in these alloys is driven by local disorder. From data of specific heat and thermal expansion we conclude that the lattice dynamics at elevated temperatures (above the Curie temperature) can be described correctly without considering short ran… Show more

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Cited by 4 publications
(3 citation statements)
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“…The simulations done with 16000 atoms revealed the same general characteristics of the martensitic phase and the austenitic transition as similar calculations of smaller systems did [5,6]. In particular identical structural and orientational relationships were observed.…”
Section: Microstructure Formationsupporting
confidence: 65%
See 1 more Smart Citation
“…The simulations done with 16000 atoms revealed the same general characteristics of the martensitic phase and the austenitic transition as similar calculations of smaller systems did [5,6]. In particular identical structural and orientational relationships were observed.…”
Section: Microstructure Formationsupporting
confidence: 65%
“…Classical molecular dynamics simulations have been performed, using a semi-empirical potential based on the EAM which has been constructed recently for the study of martensitic transformations in Fe x Ni 1−x alloys [5,6]. In contrast to simple pair-potentials, potentials based on the EAM are able to describe the elastic behaviour of a metal correctly, while remaining computationally efficient.…”
Section: Methodsmentioning
confidence: 99%
“…GPa and up to the melting temperature (Yoo et al, 2000). The ambient pressure phase diagram of Fe-Ni alloys shows the existence of both fcc and bcc phases; the fcc phase, depending on composition, has a complex magnetic behaviour, and is known to exist in different magnetic states (Hausch and Warlimont, 1973;Dubrovinsky et al, 2001;Meyer, Entel, 1995). The lower temperature field (T<400 °C) of the Fe-Ni phase diagram has a complex configuration that includes a paramagnetic low-Ni disordered fcc phase, as well as the ordered compounds FeNi (tetrataenite) and Ni 3 Fe (Guenzburger and Terra, 2005).…”
Section: Introductionmentioning
confidence: 99%