Sodium migration pathways in multicomponent silicate glasses: Car–Parrinello molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.3456712 ◽

2010 ◽

Vol 133 (1) ◽

pp. 014701 ◽

Author(s):

Antonio Tilocca

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Silicate Glasses ◽

Dynamics Simulations ◽

Migration Pathways

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A comparison of ion scattering spectra and molecular dynamics simulations at the surface of silicate glasses

Surface Science ◽

10.1016/0039-6028(83)90057-2 ◽

1983 ◽

Vol 134 (3) ◽

pp. L543-L549 ◽

Author(s):

J.F. Kelso ◽

C.G. Pantano ◽

S.H. Garofalini

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Silicate Glasses ◽

Ion Scattering ◽

Scattering Spectra ◽

Dynamics Simulations

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Predicting the Young’s Modulus of Silicate Glasses using High-Throughput Molecular Dynamics Simulations and Machine Learning

Scientific Reports ◽

10.1038/s41598-019-45344-3 ◽

2019 ◽

Vol 9 (1) ◽

Author(s):

Kai Yang ◽

Xinyi Xu ◽

Benjamin Yang ◽

Brian Cook ◽

Herbert Ramos ◽

...

Keyword(s):

Machine Learning ◽

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Young’S Modulus ◽

High Throughput ◽

Young's Modulus ◽

Silicate Glasses ◽

Dynamics Simulations

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5. Molecular Dynamics Simulations of Silicate Glasses and Glass Surfaces

Molecular Modeling Theory ◽

10.1515/9781501508721-008 ◽

2001 ◽

pp. 131-168 ◽

Author(s):

Stephen H. Garofalini

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Silicate Glasses ◽

Dynamics Simulations ◽

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Structural features of sodium silicate glasses from reactive force field‐based molecular dynamics simulations

Journal of the American Ceramic Society ◽

10.1111/jace.16837 ◽

2019 ◽

Vol 103 (3) ◽

pp. 1600-1614 ◽

Author(s):

Lu Deng ◽

Shingo Urata ◽

Yasuyuki Takimoto ◽

Tatsuya Miyajima ◽

Seung Ho Hahn ◽

...

Keyword(s):

Molecular Dynamics ◽

Force Field ◽

Molecular Dynamics Simulations ◽

Sodium Silicate ◽

Structural Features ◽

Silicate Glasses ◽

Reactive Force ◽

Reactive Force Field ◽

Dynamics Simulations

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Spectral mode assignment for binary silicate glasses using molecular dynamics simulations

Journal of Non-Crystalline Solids ◽

10.1016/j.jnoncrysol.2012.08.019 ◽

2012 ◽

Vol 358 (23) ◽

pp. 3348-3354 ◽

Author(s):

A.K. Upadhyay ◽

K. Sebeck ◽

J. Kieffer

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Silicate Glasses ◽

Dynamics Simulations ◽

Mode Assignment ◽

Binary Silicate

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Exploring Radical Migration Pathways in Peptides with Positional Isomers, Deuterium Labeling, and Molecular Dynamics Simulations

Journal of the American Society for Mass Spectrometry ◽

10.1007/s13361-012-0540-6 ◽

2013 ◽

Vol 24 (4) ◽

pp. 524-533 ◽

Author(s):

Xing Zhang ◽

Ryan R. Julian

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Positional Isomers ◽

Deuterium Labeling ◽

Dynamics Simulations ◽

Radical Migration ◽

Migration Pathways

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Molecular Dynamics Simulations of Silicate Glasses and Glass Surfaces

Reviews in Mineralogy and Geochemistry ◽

10.2138/rmg.2001.42.5 ◽

2001 ◽

Vol 42 (1) ◽

pp. 131-168 ◽

Author(s):

S. H. Garofalini

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Silicate Glasses ◽

Dynamics Simulations ◽

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Effect of ZrO2 on the structure and properties of soda-lime silicate glasses from molecular dynamics simulations

Journal of Non-Crystalline Solids ◽

10.1016/j.jnoncrysol.2018.04.013 ◽

2018 ◽

Vol 491 ◽

pp. 141-150 ◽

Author(s):

Xiaonan Lu ◽

Lu Deng ◽

Jincheng Du

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Soda Lime ◽

Silicate Glasses ◽

Structure And Properties ◽

Dynamics Simulations

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Sodium ion migration mechanisms in silicate glasses probed by molecular dynamics simulations

Journal of Non-Crystalline Solids ◽

10.1016/s0022-3093(03)00280-1 ◽

2003 ◽

Vol 323 (1-3) ◽

pp. 147-154 ◽

Author(s):

A.N. Cormack ◽

J. Du ◽

T.R. Zeitler

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Silicate Glasses ◽

Ion Migration ◽

Dynamics Simulations

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Structure–Elasticity Relationship of Potassium Silicate Glasses from Brillouin Light Scattering Spectroscopy and Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.0c05555 ◽

2020 ◽

Vol 124 (41) ◽

pp. 9216-9223

Author(s):

El Mehdi Ghardi ◽

Hicham Jabraoui ◽

Michael Badawi ◽

Abdellatif Hasnaoui ◽

Said Ouaskit ◽

...

Keyword(s):

Molecular Dynamics ◽

Light Scattering ◽

Molecular Dynamics Simulations ◽

Potassium Silicate ◽

Silicate Glasses ◽

Brillouin Light Scattering ◽

Light Scattering Spectroscopy ◽

Dynamics Simulations ◽

Relationship Of

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