Contributions to the mixed-alkali effect in molecular dynamics simulations of alkali silicate glasses

Physical Review B ◽

10.1103/physrevb.72.214202 ◽

2005 ◽

Vol 72 (21) ◽

Author(s):

Heiko Lammert ◽

Andreas Heuer

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Silicate Glasses ◽

Mixed Alkali ◽

Alkali Silicate ◽

Mixed Alkali Effect ◽

Dynamics Simulations

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The Mixed Alkali Effect Examined by Molecular Dynamics Simulations

Topics in Applied Physics - Dynamics of Glassy, Crystalline and Liquid Ionic Conductors ◽

10.1007/978-3-319-42391-3_10 ◽

2016 ◽

pp. 459-481

Author(s):

Junko Habasaki ◽

Carlos León ◽

K. L. Ngai

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Mixed Alkali ◽

Mixed Alkali Effect ◽

Dynamics Simulations

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“Cooperativity blockage” in the mixed alkali effect as revealed by molecular-dynamics simulations of alkali metasilicate glass

The Journal of Chemical Physics ◽

10.1063/1.1759614 ◽

2004 ◽

Vol 121 (2) ◽

pp. 925-934 ◽

Author(s):

Junko Habasaki ◽

K. L. Ngai ◽

Yasuaki Hiwatari

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Mixed Alkali ◽

Mixed Alkali Effect ◽

Dynamics Simulations

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Molecular dynamics simulations of structural changes in mixed alkali (Li–K) silicate glasses

Journal of Non-Crystalline Solids ◽

10.1016/s0022-3093(99)00430-5 ◽

1999 ◽

Vol 255 (1) ◽

pp. 112-121 ◽

Author(s):

Byeongwon Park ◽

A.N Cormack

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structural Changes ◽

Silicate Glasses ◽

Mixed Alkali ◽

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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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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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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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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