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BCC Fe Dislocation Atomic Energies from DFT+EDM and Classical Potentials

Dan, Yang; Trinkle, Dallas R.
DOI: 10.18126/h3jv-yv88
Year: 2025

W edge dislocation relaxation with LAMMPS

Trinkle, Dallas R.
DOI: 10.18126/hc1f-8y48
Year: 2025

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
DOI: 10.18126/jezj-6852
Year: 2024

Identifying native point defect configurations in α-alumina

Kononov, Alina; Lee, Cheng-Wei; Shapera, Ethan; Schleife, Andre
Organizations: MDF Open
DOI: 10.18126/bwgz-gel3
Year: 2023

High-Throughput Density Functional Theory Dataset of Pb-site Impurities in Hybrid Perovskites

Mannodi-Kanakkithodi, Arun; Chan, Maria K.Y.
Organizations: MDF Open
DOI: 10.18126/vncu-w2so
Year: 2022

Comprehensive Computational Dataset of Defect Properties in Zinc Blende Semiconductors

Mannodi-Kanakkithodi, Arun; Chan, Maria K.Y.
Organizations: MDF Open
DOI: 10.18126/y54d-s03v
Year: 2021

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.
Organizations: MDF Open
DOI: 10.18126/saim-cv6c
Year: 2020

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.
Organizations: MDF Open
DOI: 10.18126/oq93-9asv
Year: 2020

A Deep Learning Based Automatic Defect Analysis Framework for In-situ TEM Ion Irradiations

Morgan, Dane; Shen, Mingren
Organizations: MDF Open
DOI: 10.18126/n9dj-5mk0
Year: 2020