Point Defect | List of Frontiers open access articles

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

Anus Manzoor
Gaurav Arora
Bryant Jerome
Nathan Linton
Bailey Norman
Dilpuneet S. Aidhy

Frontiers in Materials

doi 10.3389/fmats.2021.673574

7,108 views
35 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

Benjamin Beeler
Khadija Mahbuba
Yuhao Wang
Andrea Jokisaari

Frontiers in Materials

doi 10.3389/fmats.2021.661387

5,650 views
15 citations

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Review Article

Published on 25 Apr 2018

Simulation of the optical coating deposition

Fedor Grigoriev
Vladimir Sulimov
Alexander Tikhonravov

Advanced Optical Technologies

doi 10.1515/aot-2017-0079

Review

Published on 03 Dec 2020

First-Principles Atomistic Thermodynamics and Configurational Entropy

in Theoretical and Computational Chemistry

Christopher Sutton
Sergey V. Levchenko

Frontiers in Chemistry

doi 10.3389/fchem.2020.00757

24,506 views
61 citations

Original Research

Published on 10 Jul 2023

Infrared defect recognition technology for composite materials

in Interdisciplinary Physics

Hao-Liang Chang
Hao-Tian Ren
Gang Wang
Ming Yang
Xin-Yu Zhu

Frontiers in Physics

doi 10.3389/fphy.2023.1203762

4,679 views
11 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

Masato Kato
Masashi Watanabe
Shun Hirooka
Romain Vauchy

Frontiers in Nuclear Engineering

doi 10.3389/fnuen.2022.1081473

4,108 views
16 citations

Articles

Machine Learning Based Methodology to Predict Point Defect Energies in Multi-Principal Element Alloys

Determination of Thermal Expansion, Defect Formation Energy, and Defect-Induced Strain of α-U Via ab Initio Molecular Dynamics

Simulation of the optical coating deposition

First-Principles Atomistic Thermodynamics and Configurational Entropy

Infrared defect recognition technology for composite materials

Oxygen diffusion in the fluorite-type oxides CeO2, ThO2, UO2, PuO2, and (U, Pu)O2