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BCC Fe Dislocation Atomic Energies from DFT+EDM and Classical Potentials
Dan, Yang;
Trinkle, Dallas R.
W edge dislocation relaxation with LAMMPS
Trinkle, Dallas R.
Dataset of Simulated Shock Deformed Microstructures and X-ray Diffraction Patterns for Single Crystal and Nanocrystalline Cu for use with Machine-Learning
Vizoso, Daniel;
Tsurkan, Phillip;
Ma, Ke;
Dongare, Avinash M.;
Dingreville, Rémi
Identifying native point defect configurations in α-alumina
Kononov, Alina;
Lee, Cheng-Wei;
Shapera, Ethan;
Schleife, Andre
Simulated Vibrational Density of States and X-ray Diffraction Profiles of Mechanically Deformed and Disordered Atomic Structures in Gold, Iron, Magnesium, and Silicon
Vizoso, Daniel;
Dingreville, Remi
High-Throughput Density Functional Theory Dataset of Pb-site Impurities in Hybrid Perovskites
Mannodi-Kanakkithodi, Arun;
Chan, Maria K.Y.
Comprehensive Computational Dataset of Defect Properties in Zinc Blende Semiconductors
Mannodi-Kanakkithodi, Arun;
Chan, Maria K.Y.
XCT dataset and Deep Learning Models for Automated Segmentation of Computed Tomography Images of Fiber-Reinforced Composites
Badran, A A.;
Marshall, D B.;
Legault, Z.;
Makovetsky, R.;
Provencher, B.;
Piché, N.;
Marsh, M.
Machine-learned impurity level prediction for semiconductors: the example of Cd-based chalcogenides
Mannodi-Kanakkithodi, Arun;
Toriyama, Michael Y.;
Sen, Fatih G.;
Davis, Michael J.;
Klie, Robert F.;
Chan, Maria K. Y.
A Deep Learning Based Automatic Defect Analysis Framework for In-situ TEM Ion Irradiations
Morgan, Dane;
Shen, Mingren