Effectively one-dimensional phase diagram of CuZr liquids and glasses

TL;DR

This study uses computer simulations to show that the phase diagram of CuZr liquids and glasses is effectively one-dimensional due to invariance along isomorphs, simplifying the understanding of their thermodynamic behavior.

Contribution

It demonstrates that the phase diagram of CuZr liquids and glasses is effectively one-dimensional, revealing invariance along isomorphs and simplifying phase diagram analysis.

Findings

Structural and dynamic invariance along isomorphs

Little invariance along isochores

Phase diagram effectively one-dimensional

Abstract

This paper presents computer simulations of Cu$_x$Zr$_{100-x}$ $(x=36,50,64)$ in the liquid and glass phases. The simulations are based on the effective-medium theory (EMT) potentials. We find good invariance of both structure and dynamics in reduced units along the isomorphs of the systems. The state points studied involve a density variation of almost a factor of two and temperatures going from 1500 K to above 4000 K for the liquids and from 500 K to above 1500 K for the glasses. For comparison, results are presented also for similar temperature variations along isochores, showing little invariance. In general for a binary system the phase diagram has three axes: composition, temperature and pressure (or density). When isomorphs are present, there are effectively only two axes, and for a fixed composition just one. We conclude that the liquid and glass parts of the thermodynamic phase diagram of this metallic glass former at a fixed composition is effectively one-dimensional in the sense that many physical properties are invariant along the same curves, implying that in order to investigate the phase diagram, it is only necessary to go across these curves.