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
- 2,066 views
- 2 citations
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188 articles
Original Research
Published on 14 Jan 2021
Quantifying the High-Temperature Separation Behavior of Lamellar Interfaces in Îł-Titanium Aluminide Under Tensile Loading by Molecular Dynamics
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.602567
- 2,735 views
- 9 citations
Original Research
Published on 10 Nov 2020
Subtle Variations of the Electronic Structure and Mechanical Properties of High Entropy Alloys With 50% Carbon Composites
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.575262
- 4,072 views
- 10 citations
Original Research
Published on 05 Oct 2020
Optimum Design of High-Strength Concrete Mix Proportion for Crack Resistance Using Artificial Neural Networks and Genetic Algorithm
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.590661
- 6,057 views
- 19 citations
Original Research
Published on 29 Sep 2020
Mechanical Properties and Microstructure of Reinforced Passivation Film: A Reactive Molecular Dynamics Study
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.523126
- 3,640 views
- 4 citations
Original Research
Published on 24 Sep 2020
Hypothetical P63/mmc-Type CsCrCl3 Ferromagnet: Half-Metallic Property and Nodal Surface State
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.00262
- 2,087 views
Original Research
Published on 21 Sep 2020
Numerical Simulation of Water Transport in Unsaturated Recycled Aggregate Concrete
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.560621
- 3,186 views
- 9 citations
Original Research
Published on 17 Sep 2020
Coupled Transport of Sulfate and Chloride Ions With Adsorption Effect: A Numerical Analysis
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.536517
- 3,589 views
- 10 citations
Original Research
Published on 08 Sep 2020
Screening Out Reactivity-Promoting Candidates for Îł-Ca2SiO4 Carbonation by First-Principles Calculations
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.00299
- 3,066 views
- 13 citations
Review
Published on 04 Aug 2020
Smart Polymers for Advanced Applications: A Mechanical Perspective Review
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.00196
- 28,357 views
- 65 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
- 3,707 views
- 12 citations
Original Research
Published on 16 Jun 2020
Theoretical Design for the Non-Toxic and Earth-Abundant Perovskite Solar Cell Absorber Materials
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.00168
- 4,739 views
- 12 citations
Original Research
Published on 02 Jun 2020
A Molecular Dynamics Study on the Structure, Interfaces, Mechanical Properties, and Mechanisms of a Calcium Silicate Hydrate/2D-Silica Nanocomposite
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.00127
- 4,339 views
- 21 citations
Original Research
Published on 07 Apr 2020
Exploring Adaptive Behavior of Non-linear Hexagonal Frameworks
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.00064
- 2,596 views
- 2 citations
Original Research
Published on 24 Mar 2020
Insight Into the Leaching of Sodium Alumino-Silicate Hydrate (N-A-S-H) Gel: A Molecular Dynamics Study
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.00056
- 6,268 views
- 28 citations
Editorial
Published on 28 Feb 2020
Editorial: Machine Learning and Data Mining in Materials Science
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.00051
- 10,774 views
- 21 citations