Elemental Interactions and Local Structures in Liquid Sb-As and Sb-Al-As Alloys: Insights from Ab Initio Molecular Dynamics and Experimental Studies on As Aggregation and Diffusion Behaviors
Sign Up to like & getrecommendations! Published in 2025 at "Materials"
DOI: 10.3390/ma18071633
Abstract: The local structure, element interactions, and electronic structure properties in Sb-As and Sb-Al-As melts were studied using ab initio molecular dynamics (AIMD) simulations. Sb-0.1wt%Al alloy was prepared using vacuum melting, and both pure Sb and… read more here.
Keywords: elemental interactions; local structures; initio molecular; molecular dynamics ... See more keywords