Molecular Dynamics Study of Iron-Nickel Alloys

R Meyer,P Entel

doi:10.1051/jp4:1995219

Abstract

We present results of molecular dynamics simulations of disordered iron-nickel alloys. In particular we discuss the α-γ 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 range magnetic effects

Highlights

Structural phase transitions are a very common phenomena of metallic alloys
We present results of molecular dynamics simulations of disordered iron-nickel alloys
While many nonmagnetic compounds show a transition from an open structure like bcc a t high temperatures to a close-packed structure, e.g. fcc, in the low-temperature regime, many magnetic alloys undergo a transition into the opposite direction

Summary

Introduction

Structural phase transitions are a very common phenomena of metallic alloys. While many nonmagnetic compounds show a transition from an open structure like bcc a t high temperatures to a close-packed structure, e.g. fcc, in the low-temperature regime, many magnetic alloys undergo a transition into the opposite direction. Abstract: We present results of molecular dynamics simulations of disordered iron-nickel alloys. Iron-rich FeNi alloys show a transition from fcc to bcc with decreasing temperature which is accompanied by the onset of magnetic order.

Results

Conclusion