61 citations · 105 across the 9 of their papers we have counts for
10 papers
Mechanisms of Microstructural Evolution and Degradation in Aluminum under High-Damage Irradiation
Alhassan S. Issaka, Sadie Wicks, Vishal Yadav +3
Aluminum alloys are widely used in research reactor systems, yet the mechanisms governing irradiation-induced degradation remain poorly understood. Here we combine conventional cas…
Machine-Learned Interatomic Potential for Predictive Simulation of MoS2 Epitaxy
Emir Bilgili, Nicholas Taormina, Richard Hennig +2
A machine-learned interatomic potential (MLIP) for multilayer MoS2 was developed using the ultra-fast force field (UF3) framework. The UF3 MLIP reproduces key properties in strong…
Machine-learning interatomic potential for AlN for epitaxial simulation
Nicholas Taormina, Emir Bilgili, Jason Gibson +3
A machine learned interatomic potential for AlN was developed using the ultra-fast force field (UF3) methodology. A strong agreement with density functional theory calculations in…
Effect of Misfit and Threading Dislocations on Surface Energies of PbTe-PbSe Interfaces
Emir Bilgili, Nicholas Taormina, Yang Li +3
This work quantifies the effect of misfit and threading dislocations on the surface energies of PbTe-PbSe interfaces, with the defect structures of the interfaces being obtained fr…
The influence of alloying on the stacking fault energy of gold from density functional theory calculations
Anuj Goyal, Yanzhong Li, Aleksandr Chernatynskiy +4
The generalized stacking fault (SFE) energy curves of pure gold (Au) and its binary alloys with transition metals are determined from density functional theory (DFT). Alloy element…
Dynamics of Graphene/Al Interfaces using COMB3 Potentials
Difan Zhang, Alexandre F. Fonseca, Tao Liang +2
This work describes the development of a third-generation charge optimized many-body (COMB3) potential for Al-C and its application to the investigation of aluminum/graphene nanost…