Atomic-scale structural signature of dynamic heterogeneities in metallic liquids

Abstract

Metallic liquids: Connection between liquid structure and liquid dynamics Simulations show a strong connection between the atomic-scale structure and dynamics in metallic liquids. When a material is cooled rapidly it can avoid crystallization, forming a metastable undercooled state. Such systems exhibit a range of interesting dynamic phenomena but it is experimentally difficult to look at the interplay between the liquid structure and liquid dynamics. Using ab initio molecular dynamic simulations, Alain Pasturel and Noel Jakse from the University Grenoble Alpes show that in chromium-doped aluminum-based liquids there is a strong decoupling of the chromium diffusions from the aluminum diffusion. This is closely related to the emergence of dynamic heterogeneities, as both effects have a structural origin. These insights provide a close connection between structure and liquid dynamics and could lead to more elaborate experimental studies.