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

Physical Chemistry Chemical Physics ◽

10.1039/b201721k ◽

2002 ◽

Vol 4 (14) ◽

pp. 3193-3197 ◽

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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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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Na+-binding modes involved in thrombin's allosteric response as revealed by molecular dynamics simulations, correlation networks and Markov modeling

Physical Chemistry Chemical Physics ◽

10.1039/c8cp07293k ◽

2019 ◽

Vol 21 (8) ◽

pp. 4320-4330 ◽

Author(s):

Jiajie Xiao ◽

Freddie R. Salsbury

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Markov Modeling ◽

Binding Modes ◽

Correlation Networks ◽

Dynamics Simulations

The monovalent sodium ion (Na+) is a critical modulator of thrombin.

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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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Molecular dynamics simulations of oxide ion migration in La2Ga3O7.5 with completely ordered interstitial oxide ions

Journal of Solid State Chemistry ◽

10.1016/j.jssc.2021.122370 ◽

2021 ◽

pp. 122370

Author(s):

Lei Zhao ◽

Shipeng Geng ◽

Jie Feng ◽

Congling Yin ◽

Xiaojun Kuang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Ion Migration ◽

Dynamics Simulations ◽

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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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Sodium Ion Binding Sites and Hydration in the Lumen of a Bacterial Ion Channel from Molecular Dynamics Simulations

The Journal of Physical Chemistry Letters ◽

10.1021/jz2011379 ◽

2011 ◽

Vol 2 (19) ◽

pp. 2504-2508 ◽

Author(s):

Vincenzo Carnevale ◽

Werner Treptow ◽

Michael L. Klein

Keyword(s):

Molecular Dynamics ◽

Ion Channel ◽

Molecular Dynamics Simulations ◽

Binding Sites ◽

Ion Binding ◽

Ion Binding Sites ◽

Dynamics Simulations

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