News
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Recrystallization Mechanisms of Aluminum and Aluminum Oxide Interfaces through Reactive Simulations
This study used reactive molecular dynamics (ReaxFF) and unsupervised clustering to analyse how aluminium and alumina crystallise from the melt. Aluminium atoms crystallise rapidly via a barrierless process, while alumina […]
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Surface-Driven Electron Localization and Defect Heterogeneity in Ceria
The exceptional performance of ceria (CeO2) in catalysis and energy conversion is fundamentally governed by the presence of defects in the material, particularly oxygen vacancies. The formation of each oxygen […]
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Low-density amorphous ice contains crystalline ice grains
Ice on Earth typically adopts a neatly arranged hexagonal crystalline structure. A range of amorphous ices—solids without long-range order—also exist. The oldest known form is called low-density amorphous (LDA) ice. […]