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

Download Full-text

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

Surface Science Letters ◽

10.1016/0167-2584(83)90633-3 ◽

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

Download Full-text

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

Download Full-text

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 ◽

Download Full-text

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

Download Full-text

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

Download Full-text

Molecular dynamics simulations of the depolarized light scattering spectra of liquid OCS in comparison with experiment and simulations of CO2and CS2

The Journal of Chemical Physics ◽

10.1063/1.467094 ◽

1994 ◽

Vol 100 (9) ◽

pp. 6318-6330 ◽

Author(s):

H. Stassen ◽

Th. Dorfmüller ◽

B. M. Ladanyi

Keyword(s):

Molecular Dynamics ◽

Light Scattering ◽

Molecular Dynamics Simulations ◽

Comparison With Experiment ◽

Scattering Spectra ◽

Dynamics Simulations ◽

Depolarized Light Scattering

Download Full-text

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

Download Full-text

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 ◽

Download Full-text

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

Download Full-text

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

Download Full-text