3 papers
cond-mat.mtrl-sci2025
Amorphization-Mediated Si-I to Si-V Phase Transition and Reversible Amorphous-Si-V Phase Memory in Silicon Nanoparticles
Ziye Deng, Reza Namakian, Wei Gao
An experiment has shown that ~10 nm Si nanoparticles undergo a Si-I (diamond cubic) to Si-V (simple hexagonal) phase transition under compression, in contrast to the Si-I to Si-II…
cond-mat.mtrl-sci2025
Kinetics of Vacancy-Assisted Reversible Phase Transition in Monolayer MoTe
Fei Shuang, Daniel Ocampo, Reza Namakian +3
We investigate the kinetics of phase transition between the 2H and 1T phases in monolayer MoTe using atomistic simulations based on a machine learning interatomic pote…
physics.comp-ph2024
Adaptive Loss Weighting for Machine Learning Interatomic Potentials
Daniel Ocampo, Daniela Posso, Reza Namakian +1
Training machine learning interatomic potentials often requires optimizing a loss function composed of three variables: potential energies, forces, and stress. The contribution of…