The effect of individual elements of alkali aluminosilicate glass on scratch characteristics: A molecular dynamics study

Journal of Non-Crystalline Solids ◽

10.1016/j.jnoncrysol.2019.119840 ◽

2020 ◽

Vol 536 ◽

pp. 119840

Author(s):

Yong Nam Ahn ◽

Jason T Harris

Keyword(s):

Molecular Dynamics ◽

Aluminosilicate Glass

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A classical molecular dynamics simulation method for the formation of “dry” gels from boro-aluminosilicate glass structures

Journal of Non-Crystalline Solids ◽

10.1016/j.jnoncrysol.2020.120513 ◽

2020 ◽

pp. 120513

Author(s):

Mélanie Taron ◽

Jean-Marc Delaye ◽

Stéphane Gin

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Method ◽

Aluminosilicate Glass ◽

Dynamics Simulation ◽

Classical Molecular Dynamics

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Surface of a calcium aluminosilicate glass by classical and ab initio molecular dynamics simulations

Surface Science ◽

10.1016/j.susc.2007.09.047 ◽

2008 ◽

Vol 602 (1) ◽

pp. 114-125 ◽

Author(s):

Patrick Ganster ◽

Magali Benoit ◽

Jean-Marc Delaye ◽

Walter Kob

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Aluminosilicate Glass ◽

Ab Initio Molecular Dynamics ◽

Calcium Aluminosilicate ◽

Dynamics Simulations

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New interatomic potential parameters for molecular dynamics simulations of rare-earth (RE = La, Y, Lu, Sc) aluminosilicate glass structures: exploration of RE3+ field-strength effects

Physical Chemistry Chemical Physics ◽

10.1039/c3cp51726h ◽

2013 ◽

Vol 15 (36) ◽

pp. 15041 ◽

Author(s):

Kirill Okhotnikov ◽

Baltzar Stevensson ◽

Mattias Edén

Keyword(s):

Molecular Dynamics ◽

Field Strength ◽

Molecular Dynamics Simulations ◽

Interatomic Potential ◽

Aluminosilicate Glass ◽

Dynamics Simulations ◽

Potential Parameters

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Molecular dynamics simulation of sodium aluminosilicate glass structures and glass surface-water reactions using the reactive force field (ReaxFF)

Applied Surface Science ◽

10.1016/j.apsusc.2017.12.180 ◽

2018 ◽

Vol 439 ◽

pp. 1103-1110 ◽

Author(s):

R. Dongol ◽

L. Wang ◽

A.N. Cormack ◽

S.K. Sundaram

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Surface Water ◽

Force Field ◽

Glass Surface ◽

Aluminosilicate Glass ◽

Dynamics Simulation ◽

Reactive Force ◽

Reactive Force Field ◽

Sodium Aluminosilicate

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Leaching and Reactivity at the Sodium Aluminosilicate Glass–Water Interface: Insights from a ReaxFF Molecular Dynamics Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c07266 ◽

2021 ◽

Author(s):

Hicham Jabraoui ◽

Stéphane Gin ◽

Thibault Charpentier ◽

Rodolphe Pollet ◽

Jean-Marc Delaye

Keyword(s):

Molecular Dynamics ◽

Aluminosilicate Glass ◽

Water Interface ◽

Sodium Aluminosilicate

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Structural properties of a calcium aluminosilicate glass from molecular-dynamics simulations: A finite size effects study

The Journal of Chemical Physics ◽

10.1063/1.1724815 ◽

2004 ◽

Vol 120 (21) ◽

pp. 10172-10181 ◽

Author(s):

Patrick Ganster ◽

Magali Benoit ◽

Walter Kob ◽

Jean-Marc Delaye

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structural Properties ◽

Size Effects ◽

Finite Size ◽

Aluminosilicate Glass ◽

Finite Size Effects ◽

Calcium Aluminosilicate ◽

Dynamics Simulations

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Structural, vibrational, and elastic properties of a calcium aluminosilicate glass from molecular dynamics simulations: The role of the potential

The Journal of Chemical Physics ◽

10.1063/1.4886421 ◽

2014 ◽

Vol 141 (2) ◽

pp. 024507 ◽

Author(s):

M. Bauchy

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Elastic Properties ◽

Aluminosilicate Glass ◽

Calcium Aluminosilicate ◽

Dynamics Simulations

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Stokes–Einstein violation and fragility in calcium aluminosilicate glass formers: a molecular dynamics study

Molecular Simulation ◽

10.1080/08927022.2013.840893 ◽

2013 ◽

Vol 40 (1-3) ◽

pp. 251-259 ◽

Author(s):

M. Bouhadja ◽

N. Jakse ◽

A. Pasturel

Keyword(s):

Molecular Dynamics ◽

Aluminosilicate Glass ◽

Calcium Aluminosilicate

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Nonequilibrium Molecular Dynamics

10.1017/9781139017848 ◽

2017 ◽

Author(s):

Billy D. Todd ◽

Peter J. Daivis

Keyword(s):

Molecular Dynamics ◽

Nonequilibrium Molecular Dynamics

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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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