Implementation of an augmented Tersoff potential to describe the phase-change material GeTe

Thomas Arbaugh

Hello, my name is Thomas Arbaugh and I am from Ellicott City, Maryland. I graduated from Centennial High School in 2019 and am part of Wesleyan’s class of 2023. I plan on majoring in Physics along with the College of Integrated Sciences Linked Major as well as minoring in Informatics and Modeling. On campus, I am currently working as part of Starr Lab and as a course assistant in the physics department.

Abstract: Our work revolves around building and utilizing molecular dynamics simulations to characterize the dynamics of phase-change materials. This summer has been focused on implementing an augmented Tersoff potential. Derived by Federico Zipoli and Alessandro Curioni, this potential will allow longer time-scale simulations of Germanium-Telluride with the open-source code LAMMPS. Topics we plan on exploring in the future include the fragile-to-strong transition that occurs in GeTe.

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