|About this Abstract
||MS&T23: Materials Science & Technology
||Interface-mediated Phenomena in Structural Materials
||Atomistic Simulations of the Effect of Alloying on Solid/Liquid Interfacial Free Energies
||Ian Winter, Michael Chandross
|On-Site Speaker (Planned)
Many applications, including brazing and solidification, require a detailed understanding of the solid/liquid interface. In particular, the solid/liquid interfacial free energy directly controls surface phenomena like nucleation and growth of solids or wetting of a droplet on a substrate. Understanding the atomistic details of the effects of alloying on the interfacial free energy can therefore lead to greater control over these complex materials processes. The recently developed interatomic potential (EAM-X) enables systematic studies of the effects of alloying on material properties, allowing continuous variation of attributes such as difference in atomic radius, or cohesive energy between constituent atoms. In this work, we use EAM-X to study the effects of alloying on the solid/liquid interfacial free energies of binary face-centered cubic metals. SNL is managed and operated by NTESS under DOE NNSA contract DE-NA0003525 (SAND2022-1056 A).