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
- 3,137 views
- 6 citations
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181 articles
Articles
Original Research
Published on 08 Sep 2020
Screening Out Reactivity-Promoting Candidates for γ-Ca2SiO4 Carbonation by First-Principles Calculations
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2020.00299
- 2,674 views
- 8 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
- 23,649 views
- 50 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
- 4,285 views
- 7 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
- 3,343 views
- 11 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
- 3,853 views
- 19 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
- 2,351 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
- 5,382 views
- 24 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
- 10,171 views
- 20 citations
Original Research
Published on 14 Jan 2020
Experimental-Computational Approach to Investigate Nanoindentation of Magnesium Potassium Phosphate Hexahydrate (MKP) With X-CT Technique and Finite Element Analysis
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00344
- 2,899 views
- 2 citations
Original Research
Published on 18 Dec 2019
Computation of Thickness and Mechanical Properties of Interconnected Structures: Accuracy, Deviations, and Approaches for Correction
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00327
- 3,425 views
- 16 citations
Original Research
Published on 13 Aug 2019
Modeling Macroscopic Material Behavior With Machine Learning Algorithms Trained by Micromechanical Simulations
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00181
- 13,604 views
- 51 citations
Original Research
Published on 16 Jul 2019
Machine-Learning Informed Representations for Grain Boundary Structures
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00168
- 7,757 views
- 30 citations
Original Research
Published on 25 Jun 2019
Machine Learning Techniques for the Segmentation of Tomographic Image Data of Functional Materials
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00145
- 17,557 views
- 74 citations
Original Research
Published on 18 Jun 2019
Machine Learning-Based Classification of Dislocation Microstructures
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00141
- 4,921 views
- 39 citations
Original Research
Published on 13 Jun 2019
A Bayesian Framework for the Estimation of the Single Crystal Elastic Parameters From Spherical Indentation Stress-Strain Measurements
in Computational Materials Science
Frontiers in Materials
doi 10.3389/fmats.2019.00136
- 3,387 views
- 35 citations