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Effects of system size and cooling rate on the structure and properties of sodium borosilicate glasses from molecular dynamics simulations

The Journal of chemical physics, 2018-01, Vol.148 (2), p.024504-024504

2018

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Development of boron oxide potentials for computer simulations of multicomponent oxide glasses

Journal of the American Ceramic Society, 2019-05, Vol.102 (5), p.2482-2505

2019

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Development of effective empirical potentials for molecular dynamics simulations of the structures and properties of boroaluminosilicate glasses

Journal of non-crystalline solids, 2016-12, Vol.453 (C), p.177-194

2016

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Effect of Strontium Substitution on the Structure of 45S5 Bioglasses

Chemistry of materials, 2011-06, Vol.23 (11), p.2703-2717

2011

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A comparative study of the effectiveness of empirical potentials for molecular dynamics simulations of borosilicate glasses

Journal of non-crystalline solids, 2021-02, Vol.553 (C), p.120413, Article 120413

2021

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Self-accelerated corrosion of nuclear waste forms at material interfaces

Nature materials, 2020-03, Vol.19 (3), p.310-316

2020

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Interfacial Structure and Evolution of the Water–Silica Gel System by Reactive Force-Field-Based Molecular Dynamics Simulations

Journal of physical chemistry. C, 2017-06, Vol.121 (21), p.11534-11543

2017

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Molecular Dynamics Simulations of the Structure and Properties of Low Silica Yttrium Aluminosilicate Glasses

Journal of the American Ceramic Society, 2009-01, Vol.92 (1), p.87-95

Du, Jincheng

2009

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Atomic and micro‐structure features of nanoporous aluminosilicate glasses from reactive molecular dynamics simulations

Journal of the American Ceramic Society, 2021-01, Vol.104 (1), p.229-242

2021

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Evaluating Water Reactivity at Silica Surfaces Using Reactive Potentials

Journal of physical chemistry. C, 2018-05, Vol.122 (18), p.9875-9885

2018

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Dynamics of self-reorganization explains passivation of silicate glasses

Nature communications, 2018-06, Vol.9 (1), p.2169-9, Article 2169

2018

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Effect of modifier cation field strength on the structures of magnesium oxide containing aluminoborosilicate glasses

International journal of applied glass science, 2022-10, Vol.13 (4), p.554-567

2022

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Structure and properties of sodium aluminosilicate glasses from molecular dynamics simulations

The Journal of chemical physics, 2013-07, Vol.139 (4), p.044507-044507

2013

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Atomistic Simulations of Glasses: Fundamentals and Applications

1st edition, 2022

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Erratum: “Development of boron oxide potentials for computer simulations of multicomponent oxide glasses” [J. Am. Ceram. Soc. 102 [5] 2482‐2505 (2019)]

Journal of the American Ceramic Society, 2020-04, Vol.103 (4), p.2933-2933

2020

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A comparative review of the aqueous corrosion of glasses, crystalline ceramics, and metals

Npj Materials degradation, 2018-05, Vol.2 (1), p.1-17, Article 15

2018

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Rare earth ion clustering behavior in europium doped silicate glasses: Simulation size and glass structure effect

Journal of non-crystalline solids, 2012-12, Vol.358 (24), p.3408-3417

2012

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Ionic self-diffusion of Na2O–Al2O3–SiO2 glasses from molecular dynamics simulations

Journal of non-crystalline solids, 2020-01, Vol.527, p.119734, Article 119734

2020

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Recent Advances in Corrosion Science Applicable To Disposal of High-Level Nuclear Waste

Chemical reviews, 2021-10, Vol.121 (20), p.12327-12383

2021

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Effects of boron oxide on the structure, properties and bioactivities of bioactive glasses: A review

Journal of non-crystalline solids. X, 2022-12, Vol.16, p.100118, Article 100118

2022

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Structures of Vanadium-Containing Silicate and Borosilicate Glasses: Vanadium Potential Development and MD Simulations

Journal of non-crystalline solids, 2022-01, Vol.575 (C), p.121223, Article 121223

2022

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In situ pair distribution function analysis of crystallizing Fe-silicate melts

Journal of materials science, 2021-03, Vol.56 (9), p.5637-5657

2021

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Atomistic computer simulations of water interactions and dissolution of inorganic glasses

Npj Materials degradation, 2017-11, Vol.1 (1), Article 16

2017

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Bioactive glass coatings on metallic implants for biomedical applications

Bioactive materials, 2019-12, Vol.4, p.261-270

2019

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Composition – structure – property relationships in alkali aluminosilicate glasses: A combined experimental – computational approach towards designing functional glasses

Journal of non-crystalline solids, 2019-02, Vol.505, p.144-153

2019

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Effects of system size and cooling rate on the structure and properties of sodium borosilicate glasses from molecular dynamics simulations

Development of boron oxide potentials for computer simulations of multicomponent oxide glasses

Development of effective empirical potentials for molecular dynamics simulations of the structures and properties of boroaluminosilicate glasses

Effect of Strontium Substitution on the Structure of 45S5 Bioglasses

A comparative study of the effectiveness of empirical potentials for molecular dynamics simulations of borosilicate glasses

Self-accelerated corrosion of nuclear waste forms at material interfaces

Interfacial Structure and Evolution of the Water–Silica Gel System by Reactive Force-Field-Based Molecular Dynamics Simulations

Molecular Dynamics Simulations of the Structure and Properties of Low Silica Yttrium Aluminosilicate Glasses

Atomic and micro‐structure features of nanoporous aluminosilicate glasses from reactive molecular dynamics simulations

Evaluating Water Reactivity at Silica Surfaces Using Reactive Potentials

Dynamics of self-reorganization explains passivation of silicate glasses

Effect of modifier cation field strength on the structures of magnesium oxide containing aluminoborosilicate glasses

Structure and properties of sodium aluminosilicate glasses from molecular dynamics simulations

Atomistic Simulations of Glasses: Fundamentals and Applications

Erratum: “Development of boron oxide potentials for computer simulations of multicomponent oxide glasses” [J. Am. Ceram. Soc. 102 [5] 2482‐2505 (2019)]

A comparative review of the aqueous corrosion of glasses, crystalline ceramics, and metals

Rare earth ion clustering behavior in europium doped silicate glasses: Simulation size and glass structure effect

Ionic self-diffusion of Na2O–Al2O3–SiO2 glasses from molecular dynamics simulations

Recent Advances in Corrosion Science Applicable To Disposal of High-Level Nuclear Waste

Effects of boron oxide on the structure, properties and bioactivities of bioactive glasses: A review

Structures of Vanadium-Containing Silicate and Borosilicate Glasses: Vanadium Potential Development and MD Simulations

In situ pair distribution function analysis of crystallizing Fe-silicate melts

Atomistic computer simulations of water interactions and dissolution of inorganic glasses

Bioactive glass coatings on metallic implants for biomedical applications

Composition – structure – property relationships in alkali aluminosilicate glasses: A combined experimental – computational approach towards designing functional glasses

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