Editorial
Published on 13 Oct 2021
Editorial: Computational Defect Properties
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2021.763724
- 2,459 views
- 2 citations
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186 articles
Original Research
Published on 20 Sep 2021
Modeling of Rolling Force for Thick Plate of Multicomponent Alloys and Its Application on Thickness Prediction
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2021.741144
- 2,079 views
- 5 citations
Original Research
Published on 16 Sep 2021
Data-Driven Discovery of 2D Materials for Solar Water Splitting
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2021.679269
- 5,111 views
- 15 citations
Original Research
Published on 10 Aug 2021
Surface and Size Effects on the Behaviors of Point Defects in Irradiated Crystalline Solids
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2021.684862
- 4,864 views
- 4 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
- 3,705 views
- 5 citations
Original Research
Published on 05 Jul 2021
Strain Effects on the Diffusion Properties of Near-Surface Self-Interstitial Atoms and Adatoms in Tungsten
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2021.678858
- 2,532 views
- 1 citation
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
- 4,368 views
- 14 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
- 5,512 views
- 28 citations
Original Research
Published on 31 May 2021
Microstructure-Dependent Rate Theory Model of Radiation-Induced Segregation in Binary Alloys
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2021.682686
- 2,651 views
- 5 citations
Original Research
Published on 26 Feb 2021
BIC-Based Data-Driven Rail Track Deterioration Adaptive Piecewise Modeling Framework
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2021.620484
- 2,033 views
- 3 citations
Original Research
Published on 23 Feb 2021
Ferromagnetism With High Curie Temperature of Cu Doped LiMgN New Dilute Magnetic Semiconductors
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.595953
- 3,253 views
- 8 citations
Original Research
Published on 22 Feb 2021
The Self-Healing Performance of Carbon-Based Nanomaterials Modified Asphalt Binders Based on Molecular Dynamics Simulations
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.599551
- 4,267 views
- 18 citations
Original Research
Published on 18 Feb 2021
Insight Into the Strengthening Mechanism of the Al-Induced Cross-Linked Calcium Aluminosilicate Hydrate Gel: A Molecular Dynamics Study
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.611568
- 5,076 views
- 15 citations
Original Research
Published on 08 Feb 2021
Simulation of the Flowability of Fresh Concrete by Discrete Element Method
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.603154
- 5,113 views
- 24 citations
Editorial
Published on 15 Jan 2021
Editorial: Computational Modeling of Spintronic Materials
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.634712
- 2,006 views
- 2 citations
Original Research
Published on 14 Jan 2021
Quantifying the High-Temperature Separation Behavior of Lamellar Interfaces in γ-Titanium Aluminide Under Tensile Loading by Molecular Dynamics
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.602567
- 2,686 views
- 8 citations