A modified random network model for P2O5–Na2O–Al2O3–SiO2 glass studied by molecular dynamics simulations

Yaxian Zhao; Jincheng Du; Xin Cao; Chong Zhang; Gang Xu; Xvsheng Qiao; Yong Liu; Shou Peng; Gaorong Han

doi:10.1039/d0ra10810c

A modified random network model for P2O5–Na2O–Al2O3–SiO2 glass studied by molecular dynamics simulations

RSC Advances ◽

10.1039/d0ra10810c ◽

2021 ◽

Vol 11 (12) ◽

pp. 7025-7036

Author(s):

Yaxian Zhao ◽

Jincheng Du ◽

Xin Cao ◽

Chong Zhang ◽

Gang Xu ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Network Model ◽

Structural Model ◽

Random Network ◽

Sio2 Glass ◽

Sodium Aluminosilicate ◽

Aluminosilicate Glasses ◽

Dynamics Simulations ◽

Glass Compositions

(A) A modified structural model proposed for P2O5-bearing sodium aluminosilicate glasses. (B) Degree of preferred connection (DPC) of different T–O–T network linkage for LAP, MAP and HAP glass compositions with various P2O5 content.

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Structure and properties of sodium aluminosilicate glasses from molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.4816378 ◽

2013 ◽

Vol 139 (4) ◽

pp. 044507 ◽

Cited By ~ 74

Author(s):

Ye Xiang ◽

Jincheng Du ◽

Morten M. Smedskjaer ◽

John C. Mauro

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structure And Properties ◽

Sodium Aluminosilicate ◽

Aluminosilicate Glasses ◽

Dynamics Simulations

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Erratum: “Structure and properties of sodium aluminosilicate glasses from molecular dynamics simulations” [J. Chem. Phys. 139, 044507 (2013)]

The Journal of Chemical Physics ◽

10.1063/1.4818979 ◽

2013 ◽

Vol 139 (7) ◽

pp. 079904

Author(s):

Ye Xiang ◽

Jincheng Du ◽

Morten M. Smedskjaer ◽

John C. Mauro

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Chem Phys ◽

Structure And Properties ◽

Sodium Aluminosilicate ◽

Aluminosilicate Glasses ◽

Dynamics Simulations

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Aluminosilicate Glasses As Yttrium Vectors for in situ Radiotherapy: Understanding Composition-Durability Effects through Molecular Dynamics Simulations

Chemistry of Materials ◽

10.1021/cm100847p ◽

2010 ◽

Vol 22 (12) ◽

pp. 3725-3734 ◽

Cited By ~ 39

Author(s):

Jamieson K. Christie ◽

Antonio Tilocca

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Aluminosilicate Glasses ◽

Dynamics Simulations

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A Structural Model for Apolipoprotein C-II Amyloid Fibrils: Experimental Characterization and Molecular Dynamics Simulations

Journal of Molecular Biology ◽

10.1016/j.jmb.2010.12.006 ◽

2011 ◽

Vol 405 (5) ◽

pp. 1246-1266 ◽

Cited By ~ 40

Author(s):

Chai Lean Teoh ◽

Chi L.L. Pham ◽

Nevena Todorova ◽

Andrew Hung ◽

Craig N. Lincoln ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Amyloid Fibrils ◽

Structural Model ◽

Experimental Characterization ◽

Apolipoprotein C ◽

Dynamics Simulations

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The Bearings from Rare-Earth (RE = La, Lu, Sc, Y) Cations on the Oxygen Environments in Aluminosilicate Glasses: A Study by Solid-State 17O NMR, Molecular Dynamics Simulations, and DFT Calculations

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b02032 ◽

2016 ◽

Vol 120 (24) ◽

pp. 13181-13198 ◽

Cited By ~ 18

Author(s):

Aleksander Jaworski ◽

Baltzar Stevensson ◽

Mattias Edén

Keyword(s):

Molecular Dynamics ◽

Rare Earth ◽

Solid State ◽

Dft Calculations ◽

Molecular Dynamics Simulations ◽

17O Nmr ◽

Aluminosilicate Glasses ◽

Dynamics Simulations

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Exploring Allosteric Signaling in the Exit Tunnel of the Bacterial Ribosome by Molecular Dynamics Simulations and Residue Network Model

Frontiers in Molecular Biosciences ◽

10.3389/fmolb.2020.586075 ◽

2020 ◽

Vol 7 ◽

Author(s):

Pelin Guzel ◽

Hatice Zeynep Yildirim ◽

Merve Yuce ◽

Ozge Kurkcuoglu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Network Model ◽

Bacterial Ribosome ◽

Exit Tunnel ◽

Dynamics Simulations

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Experimental characterizations and molecular dynamics simulations of the structures of lead aluminosilicate glasses

Journal of Non-Crystalline Solids ◽

10.1016/j.jnoncrysol.2021.121252 ◽

2022 ◽

Vol 576 ◽

pp. 121252

Author(s):

Cong Zhong ◽

Jingtao Yan ◽

Qi Jiang ◽

Chunyu Chen ◽

Shuanglong Yuan ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Aluminosilicate Glasses ◽

Dynamics Simulations

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Collective Dynamics ofEcoRI-DNA Complex by Elastic Network Model and Molecular Dynamics Simulations

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2006.10507093 ◽

2006 ◽

Vol 24 (1) ◽

pp. 1-15 ◽

Cited By ~ 11

Author(s):

Pemra Doruker ◽

Lennart Nilsson ◽

Ozge Kurkcuoglu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Network Model ◽

Elastic Network Model ◽

Elastic Network ◽

Collective Dynamics ◽

Dynamics Simulations ◽

Dna Complex

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Molecular Dynamics Simulations of the Structure and Properties of Low Silica Yttrium Aluminosilicate Glasses

Journal of the American Ceramic Society ◽

10.1111/j.1551-2916.2008.02853.x ◽

2009 ◽

Vol 92 (1) ◽

pp. 87-95 ◽

Cited By ~ 57

Author(s):

Jincheng Du

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Structure And Properties ◽

Aluminosilicate Glasses ◽

Dynamics Simulations

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Local ordering and interfacial structure between spinel crystal and aluminosilicate glasses from molecular dynamics simulations

International Journal of Applied Glass Science ◽

10.1111/ijag.12554 ◽

2018 ◽

Vol 10 (1) ◽

pp. 41-56 ◽

Cited By ~ 6

Author(s):

Wei Sun ◽

Jincheng Du

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Interfacial Structure ◽

Spinel Crystal ◽

Aluminosilicate Glasses ◽

Local Ordering ◽

Dynamics Simulations

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