92 citations · 405 across the 27 of their papers we have counts for
12 papers · 1 filter
Machine learning for impurity charge-state transition levels in semiconductors from elemental properties using multi-fidelity datasets
Maciej P. Polak, Ryan Jacobs, Arun Mannodi-Kanakkithodi +2
Quantifying charge-state transition energy levels of impurities in semiconductors is critical to understanding and engineering their optoelectronic properties for applications rang…
Compositional Trends in Surface Enhanced Diffusion in Lead Silicate Glasses
Ajay Annamareddy, Manel Molina-Ruiz, Donez Horton-Bailey +4
In this work, we use molecular dynamics simulations to study the enhancement of surface over bulk diffusion (surface enhanced diffusion) in (PbO)x(SiO2)1-x glasses. This work is mo…
Imaging of Single La Vacancies in LaMnO
Jie Feng, Alexander V. Kvit, Chenyu Zhang +4
We report an approach for three-dimensional imaging of single vacancies using high precision quantitative high-angle annular dark-field Z-contrast scanning transmission electron mi…
Evolution of small defect clusters in ion-irradiated 3C-SiC: combined cluster dynamics modeling and experimental study
C. Liu, L. He, Y. Zhai +5
Distribution of black spot defects and small clusters in 1 MeV krypton irradiated 3C-SiC has been investigated using advanced scanning transmission electron microscopy (STEM) and T…
Understanding and reducing deleterious defects in metastable alloy GaAsBi
Guangfu Luo, Shujiang Yang, Glen R. Jenness +3
Technological applications of novel metastable materials are frequently inhibited by abundant defects residing in these materials. Using first-principles methods we investigate the…
The MAterials Simulation Toolkit (MAST) for atomistic modeling of defects and diffusion
Tam Mayeshiba, Henry Wu, Thomas Angsten +5
The MAterials Simulation Toolkit (MAST) is a workflow manager and post-processing tool for ab initio defect and diffusion workflows. MAST codifies research knowledge and best pract…