Original Research
Published on 06 Jan 2023
Oxygen potential, oxygen diffusion, and defect equilibria in UO2±x
in Nuclear Materials
Frontiers in Nuclear Engineering
doi 10.3389/fnuen.2022.1082324
- 3,932 views
- 10 citations
10 articles related to "Defect Formation"
Articles
Review
Published on 16 Nov 2023
Defects go green: using defects in nanomaterials for renewable energy and environmental sustainability
in Nanotechnology for Energy Applications
Frontiers in Nanotechnology
doi 10.3389/fnano.2023.1291338
- 5,838 views
- 5 citations
Original Research
Published on 06 Jul 2021
Determination of Vacancy Formation Energies in Binary UZr Alloys Using Special Quasirandom Structure Methods
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2021.692660
- 4,879 views
- 7 citations
Original Research
Published on 03 Nov 2021
Pyrochlore Compounds From Atomistic Simulations
in Solid State Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2021.733321
- 6,626 views
- 10 citations
Original Research
Published on 16 Jun 2020
Tailoring the Band Gap in Codoped GaN Nanosheet From First Principle Calculations
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.00124
- 4,486 views
- 12 citations
Original Research
Published on 01 Jun 2021
Machine Learning Based Methodology to Predict Point Defect Energies in Multi-Principal Element Alloys
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2021.673574
- 7,108 views
- 35 citations
Original Research
Published on 10 Jul 2018
Interfacing the Core-Shell or the Drude Polarizable Force Field With Car–Parrinello Molecular Dynamics for QM/MM Simulations
in Theoretical and Computational Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2018.00275
- 5,512 views
- 18 citations
Original Research
Published on 10 Jun 2021
Determination of Thermal Expansion, Defect Formation Energy, and Defect-Induced Strain of α-U Via ab Initio Molecular Dynamics
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2021.661387
- 5,650 views
- 15 citations
Original Research
Published on 27 Jan 2023
Oxygen diffusion in the fluorite-type oxides CeO2, ThO2, UO2, PuO2, and (U, Pu)O2
in Nuclear Materials
Frontiers in Nuclear Engineering
doi 10.3389/fnuen.2022.1081473
- 4,108 views
- 16 citations
Review
Published on 12 Nov 2021
Perspectives on Pyrochlores, Defect Fluorites, and Related Compounds: Building Blocks for Chemical Diversity and Functionality
in Solid State Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2021.778140
- 8,625 views
- 37 citations