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Original Articles

Water-like melting behaviour of SiO2 investigated by the molecular dynamics simulation technique

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Pages 753-775 | Received 07 Jun 1989, Accepted 12 Jun 1989, Published online: 20 Aug 2006

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G. N. Greaves & S. Sen. (2007) Inorganic glasses, glass-forming liquids and amorphizing solids. Advances in Physics 56:1, pages 1-166.
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M. Montorsi, M.C. Menziani, C. Leonelli, G.C. Pellacani & A.N. Cormack. (2000) Molecular Dynamics Simulations of Alumina Addition in Sodium Silicate Glasses. Molecular Simulation 24:1-3, pages 157-165.
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J. Horbach & W. Kob. (1999) Structure and dynamics of sodium disilicate. Philosophical Magazine B 79:11-12, pages 1981-1986.
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G. Boureau, S. Carniato, R. Tétot & J.H. Harding. (1997) Simulation Studies of Oxide Materials. Molecular Simulation 20:1-2, pages 27-39.
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B. Vessal, M. Amini & C.R. A. Catlow. (1995) Simulation and Characterization of the Structure of Vitreous Silica. Molecular Simulation 15:2, pages 123-134.
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B. Vessal, M. Amini, M. Leslie & C.R. A. Catlow. (1990) Potentials for Molecular Dynamics Simulation of Silicate Glasses. Molecular Simulation 5:1-2, pages 1-7.
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Articles from other publishers (82)

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Mark S.D. Read & Robert A. Jackson. (2010) Derivation of enhanced potentials for uranium dioxide and the calculation of lattice and intrinsic defect properties. Journal of Nuclear Materials 406:3, pages 293-303.
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N. D. Afify & G. Mountjoy. (2009) Molecular-dynamics modeling of -ion clustering in glass . Physical Review B 79:2.
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Bertrand Guillot & Nicolas Sator. (2007) A computer simulation study of natural silicate melts. Part I: Low pressure properties. Geochimica et Cosmochimica Acta 71:5, pages 1249-1265.
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Antonio Tilocca, Nora H. de Leeuw & Alastair N. Cormack. (2006) Shell-model molecular dynamics calculations of modified silicate glasses. Physical Review B 73:10.
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S. Sen, C. A. Russell & T. Mukerji. (2005) Point-charge calculation of quadrupolar parameters for bridging oxygen sites in vitreous silica: Structural implications. Physical Review B 72:17.
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Sabyasachi Sen & Tapan Mukerji. (2005) Potential energy landscape of Li+ ions in lithium silicate glasses: Implications on ionic transport. Journal of Non-Crystalline Solids 351:40-42, pages 3361-3364.
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Jincheng Du & Alastair N. Cormack. (2005) Molecular Dynamics Simulation of the Structure and Hydroxylation of Silica Glass Surfaces. Journal of the American Ceramic Society 88:9, pages 2532-2539.
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Amitesh Maiti. 2005. Molecular Modeling Techniques In Material Sciences. Molecular Modeling Techniques In Material Sciences 261 308 .
G. V. Berezhnoi & G. G. Boiko. (2005) Defects and oxygen diffusion in metasilicate melts: Molecular dynamics simulation. Glass Physics and Chemistry 31:2, pages 145-154.
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Shinji Kohara & Kentaro Suzuya. (2005) Intermediate-range order in vitreous SiO 2 and GeO 2 . Journal of Physics: Condensed Matter 17:5, pages S77-S86.
Crossref
Ken-ichi Saitoh, Hisashi Namba, Takehiko Inaba & Noboru Shinke. (2005) Molecular dynamics study of nano-size silica melting by high heat flux. Computational Materials Science 32:1, pages 66-84.
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J. Du & A.N. Cormack. (2004) The medium range structure of sodium silicate glasses: a molecular dynamics simulation. Journal of Non-Crystalline Solids 349, pages 66-79.
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Matthew H. Ford, Scott M. Auerbach & P. A. Monson. (2004) On the mechanical properties and phase behavior of silica: A simple model based on low coordination and strong association. The Journal of Chemical Physics 121:17, pages 8415-8422.
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L. Barbieri, A. Bonamartini Corradi, I. Lancellotti, C. Leonelli & M. Montorsi. (2004) Experimental and computer simulation study of glasses belonging to diopside–anorthite system. Journal of Non-Crystalline Solids 345-346, pages 724-729.
Crossref
Ted M. Clark, Philip J. Grandinetti, Pierre Florian & Jonathan F. Stebbins. (2004) Correlated structural distributions in silica glass. Physical Review B 70:6.
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Michaël Rarivomanantsoa, Philippe Jund & Rémi Jullien. (2004) Sodium diffusion through amorphous silica surfaces: A molecular dynamics study. The Journal of Chemical Physics 120:10, pages 4915-4920.
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Luisa Barbieri, Valeria Cannillo, Cristina Leonelli, Monia Montorsi, Piercarlo Mustarelli & Cristina Siligardi. (2003) Experimental and MD Simulations Study of CaO−ZrO 2 −SiO 2 Glasses . The Journal of Physical Chemistry B 107:27, pages 6519-6525.
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Xianglong Yuan & A.N Cormack. (2003) Si–O–Si bond angle and torsion angle distribution in vitreous silica and sodium silicate glasses. Journal of Non-Crystalline Solids 319:1-2, pages 31-43.
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N Zotov. (2002) Heat capacity of sodium silicate glasses: comparison of experiments with computer simulations. Journal of Physics: Condensed Matter 14:45, pages 11655-11669.
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C. Le?n, A. Rivera, A. V?rez, J. Sanz, J. Santamaria, C.T. Moynihan & K.L. Ngai. (2002) Crossover of near-constant loss to ion hopping relaxation in ionically conducting materials: experimental evidences and theoretical interpretation. Journal of Non-Crystalline Solids 305:1-3, pages 88-95.
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A. Rivera, C. León, J. Sanz, J. Santamaria, C. T. Moynihan & K. L. Ngai. (2002) Crossover from ionic hopping to nearly constant loss in the fast ionic conductor . Physical Review B 65:22.
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S. Sen & T. Mukerji. (2001) A molecular dynamics simulation study of ionic diffusion and NMR spin–lattice relaxation in Li2Si4O9 glass. Journal of Non-Crystalline Solids 293-295, pages 268-278.
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Xianglong Yuan & A.N. Cormack. (2001) Local structures of MD-modeled vitreous silica and sodium silicate glasses. Journal of Non-Crystalline Solids 283:1-3, pages 69-87.
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Jürgen Horbach, Walter Kob & Kurt Binder. (2001) Structural and dynamical properties of sodium silicate melts: an investigation by molecular dynamics computer simulation. Chemical Geology 174:1-3, pages 87-101.
Crossref
C. Leonelli, G. Lusvardi, M. Montorsi, M. C. Menziani, L. Menabue, P. Mustarelli & L. Linati. (2001) Influence of Small Additions of Al 2 O 3 on the Properties of the Na 2 O·3SiO 2 Glass . The Journal of Physical Chemistry B 105:5, pages 919-927.
Crossref
J.-J Liang, R.T Cygan & T.M Alam. (2000) Molecular dynamics simulation of the structure and properties of lithium phosphate glasses. Journal of Non-Crystalline Solids 263-264, pages 167-179.
Crossref
Jörg-Rüdiger Hill, Clive M. Freeman & Lalitha Subramanian. 2000. Reviews in Computational Chemistry. Reviews in Computational Chemistry 141 216 .
N. Zotov, I. Ebbsjö, D. Timpel & H. Keppler. (1999) Calculation of Raman spectra and vibrational properties of silicate glasses: Comparison between and glasses . Physical Review B 60:9, pages 6383-6397.
Crossref
Philipp Maass. (1999) Towards a theory for the mixed alkali effect in glasses. Journal of Non-Crystalline Solids 255:1, pages 35-46.
Crossref
Walter Kob. (1999) Computer simulations of supercooled liquids and glasses. Journal of Physics: Condensed Matter 11:10, pages R85-R115.
Crossref
Christian Schultz-Münzenberg, Christian Jäger, Reinhard Conradt, Kurt Binder, Walter Kob & Rolf Brückner. 1999. Analysis of the Composition and Structure of Glass and Glass Ceramics. Analysis of the Composition and Structure of Glass and Glass Ceramics 141 311 .
D. Timpel & K. Scheerschmidt. (1998) Molecular dynamics investigations of silver diffusion in glass. Journal of Non-Crystalline Solids 232-234, pages 245-251.
Crossref
Dirk Timpel, Kurt Scheerschmidt & Stephen H. Garofalini. (1997) Silver clustering in sodium silicate glasses: a molecular dynamics study. Journal of Non-Crystalline Solids 221:2-3, pages 187-198.
Crossref
David K Belashchenko. (1997) Computer simulation of the structure and properties of non-crystalline oxides. Russian Chemical Reviews 66:9, pages 733-762.
Crossref
Mahin Hemmati & C. Austen Angell. (1997) IR absorption of silicate glasses studied by ion dynamics computer simulation. I. IR spectra of SiO2 glass in the rigid ion model approximation. Journal of Non-Crystalline Solids 217:2-3, pages 236-249.
Crossref
David A. Litton & Stephen H. Garofalini. (1997) Vitreous silica bulk and surface self-diffusion analysis by molecular dynamics. Journal of Non-Crystalline Solids 217:2-3, pages 250-263.
Crossref
B. Vessal. 1997. Computer Modeling in Inorganic Crystallography. Computer Modeling in Inorganic Crystallography 295 332 .
P.W.M. Jacobs & Z.A. Rycerz. 1997. Computer Modeling in Inorganic Crystallography. Computer Modeling in Inorganic Crystallography 83 115 .
C. R. A. Catlow. 1997. New Trends in Materials Chemistry. New Trends in Materials Chemistry 141 194 .
A. N. Cormack & Yuan Cao. 2002. Modelling of Minerals and Silicated Materials. Modelling of Minerals and Silicated Materials 227 271 .
Katharina Vollmayr, Walter Kob & Kurt Binder. (1996) Cooling-rate effects in amorphous silica: A computer-simulation study. Physical Review B 54:22, pages 15808-15827.
Crossref
Yves Guissani & Bertrand Guillot. (1996) A numerical investigation of the liquid–vapor coexistence curve of silica. The Journal of Chemical Physics 104:19, pages 7633-7644.
Crossref
Xianglong Yuan & Alastair N. Cormack. (2011) Local Structure of MD Simulated Soda-Lime-Silicate Glass. MRS Proceedings 455.
Crossref
W. Smith, G.N. Greaves & M.J. Gillan. (1995) The structure and dynamics of sodium disilicate glass by molecular dynamics simulation. Journal of Non-Crystalline Solids 192-193, pages 267-271.
Crossref
Johannes Sarnthein, Alfredo Pasquarello & Roberto Car. (1995) Model of vitreous generated by an ab initio molecular-dynamics quench from the melt . Physical Review B 52:17, pages 12690-12695.
Crossref
W. Smith, G. N. Greaves & M. J. Gillan. (1995) Computer simulation of sodium disilicate glass. The Journal of Chemical Physics 103:8, pages 3091-3097.
Crossref
Thomas P. Swiler, Joseph H. Simmons & Adrian C. Wright. (1995) Molecular dynamics study of brittle fracture in silica glass and cristobalite. Journal of Non-Crystalline Solids 182:1-2, pages 68-77.
Crossref
P. W.-C. Kung, J. T. Books, C. M. Freeman, S. M. Levine, B. Vessali, J. M. Newsam & M. L. Klein. (2011) Melting of Aromatic Compounds: Molecular Dynamics Simulations. MRS Proceedings 408.
Crossref
J.-L. Faulon, D.A. Loy, G.A. Carlson & K.J. Shea. (1995) Computer-aided structure elucidation for arylene-bridged polysilsesquioxanes. Computational Materials Science 3:3, pages 334-346.
Crossref
B. Vessal, M. Amini & H. Akbarzadeh. (1994) Molecular dynamics simulation of molten silica at high pressure. The Journal of Chemical Physics 101:9, pages 7823-7827.
Crossref
Behnam Vessal. (1994) Simulation studies of silicates and phosphates. Journal of Non-Crystalline Solids 177, pages 103-124.
Crossref
Anatoly B Belonoshko. (1994) Molecular dynamics of silica at high pressures: Equation of state, structure, and phase transitions. Geochimica et Cosmochimica Acta 58:6, pages 1557-1566.
Crossref
Dennis R. Perchak & J.M. O'Reilly. (1994) Observation of a volume minimum in computer simulations of supercooled, amorphous silica. Journal of Non-Crystalline Solids 167:3, pages 211-228.
Crossref
G. N. Greaves. 1994. Defects and Disorder in Crystalline and Amorphous Solids. Defects and Disorder in Crystalline and Amorphous Solids 87 122 .
X. Zhang & C. K. Ong. (1993) Pressure-induced amorphization of β-cristobalite. Physical Review B 48:10, pages 6865-6870.
Crossref
B. Vessal, M. Amini & C.R.A. Catlow. (1993) Computer simulation of the structure of silica glass. Journal of Non-Crystalline Solids 159:1-2, pages 184-186.
Crossref
X. Zhang & C.K. Ong. (1993) Pressure-induced structural transition in SiO2 glass. Solid State Communications 86:8, pages 471-474.
Crossref
Behnam Vessal & James E. Dickinson. (2011) Simulation Studies Of Titanium And Zirconium Wadeite Glasses. MRS Proceedings 321.
Crossref
John S. Tse, Dennis D. Klug & Yvon Le Page. (1992) High-pressure densification of amorphous silica. Physical Review B 46:10, pages 5933-5938.
Crossref
Raffaele Guido Della Valle & Hans C. Andersen. (1992) Molecular dynamics simulation of silica liquid and glass. The Journal of Chemical Physics 97:4, pages 2682-2689.
Crossref
B. Vessal, G. N. Greaves, P. T. Marten, A. V. Chadwick, R. Mole & S. Houde-Walter. (1992) Cation microsegregation and ionic mobility in mixed alkali glasses. Nature 356:6369, pages 504-506.
Crossref
R. G. Della Valle & H. C. Andersen. 1992. Molecular Dynamics Simulations. Molecular Dynamics Simulations 67 77 .
Chengde Huang & A. N. Cormack. (1991) Structural differences and phase separation in alkali silicate glasses. The Journal of Chemical Physics 95:5, pages 3634-3642.
Crossref

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