Analysis of Non-Monotonic Temperature Behavior of the Coefficient of Thermal Expansion in Fe-Ni Alloys Studied by First-Principles Cluster Variation Method

Abstract

Fe-Ni system has been attracting broad attentions as an Invar alloy. Although the origin of the Invar effects has been explained based on the temperature variation of alignments and magnitudes of magnetic moments, two of the present authors (YC and TM) reported that the non-monotonous temperature dependence of Coefficient of Thermal Expansion (CTE) were realized even without considering spin configurations explicitly. In the present study, we clarified that the main cause of the non-monotonous temperature dependence in CTE was atomic configuration effects which were originated from a peculiar concentration dependence of lattice constant in Fe-Ni system.