Soliquidy: a descriptor for atomic geometrical confusion

Abstract Tailoring material properties often requires understanding the solidification process. Herein, we introduce the geometric descriptor Soliquidy, which numerically captures the Euclidean transport cost between the translationally disordered versus ordered states of a materials. As a testbed,...

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Bibliographic Details
Main Authors: Hagen Eckert, Sebastian A. Kube, Simon Divilov, Asa Guest, Adam C. Zettel, David Hicks, Sean D. Griesemer, Nico Hotz, Xiomara Campilongo, Siya Zhu, Axel van de Walle, Jan Schroers, Stefano Curtarolo
Format: Article
Language:English
Published: Nature Portfolio 2025-02-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01529-1
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