Silica: Difference between revisions
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'''Silica''' (Silicon dioxide) is a very interesting system, sharing many similarities with the physical properties of [[water]]. | '''Silica''' (Silicon dioxide) is a very interesting system, sharing many similarities with the physical properties of [[water]]. | ||
==Models== | |||
#[http://dx.doi.org/10.1103/PhysRevLett.64.1955 B. W. H. van Beest, G. J. Kramer and R. A. van Santen "Force fields for silicas and aluminophosphates based on ab initio calculations", Physical Review Letters '''64''' pp. 1955-1958 (1990)] | |||
#[http://dx.doi.org/10.1063/1.1513312 P. Tangney and S. Scandolo "An ab initio parametrized interatomic force field for silica", Journal of Chemical Physics '''117''' 8898 (2002)] | |||
==Phase diagram== | |||
#[http://dx.doi.org/10.1103/PhysRevE.70.061507 Ivan Saika-Voivod, Francesco Sciortino, Tor Grande, and Peter H. Poole "Phase diagram of silica from computer simulation", Physical Review E '''70''' 061507 (2004)] | |||
==Temperature of maximum density== | ==Temperature of maximum density== | ||
Silica has a temperature of [[Liquid phase density maximum |maximum density]] (TMD) | Silica has a temperature of [[Liquid phase density maximum |maximum density]] (TMD) | ||
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#[http://dx.doi.org/10.1038/35087524 Ivan Saika-Voivod, Peter H. Poole and Francesco Sciortino "Fragile-to-strong transition and polyamorphism in the energy landscape of liquid silica", Nature '''412''' pp. 514-517 (2001)] | #[http://dx.doi.org/10.1038/35087524 Ivan Saika-Voivod, Peter H. Poole and Francesco Sciortino "Fragile-to-strong transition and polyamorphism in the energy landscape of liquid silica", Nature '''412''' pp. 514-517 (2001)] | ||
==References== | ==References== | ||
#[http://dx.doi.org/10.1063/1.1797979 Matthew H. Ford, Scott M. Auerbach and P. A. Monson "On the mechanical properties and phase behavior of silica: A simple model based on low coordination and strong association", Journal of Chemical Physics '''121''' 8415 (2004)] | #[http://dx.doi.org/10.1063/1.1797979 Matthew H. Ford, Scott M. Auerbach and P. A. Monson "On the mechanical properties and phase behavior of silica: A simple model based on low coordination and strong association", Journal of Chemical Physics '''121''' 8415 (2004)] | ||
#[http://dx.doi.org/10.1098/rsta.2004.1506 Ivan Saika-Voivod, Francesco Sciortino, Tor Grande, Peter H. Poole "Simulated silica", Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences '''363''' pp. 525-535 (2005)] | #[http://dx.doi.org/10.1098/rsta.2004.1506 Ivan Saika-Voivod, Francesco Sciortino, Tor Grande, Peter H. Poole "Simulated silica", Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences '''363''' pp. 525-535 (2005)] | ||
[[category:Polyamorphic systems]] | [[category:Polyamorphic systems]] | ||
Revision as of 12:29, 20 November 2008
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Silica (Silicon dioxide) is a very interesting system, sharing many similarities with the physical properties of water.
Models
- B. W. H. van Beest, G. J. Kramer and R. A. van Santen "Force fields for silicas and aluminophosphates based on ab initio calculations", Physical Review Letters 64 pp. 1955-1958 (1990)
- P. Tangney and S. Scandolo "An ab initio parametrized interatomic force field for silica", Journal of Chemical Physics 117 8898 (2002)
Phase diagram
Temperature of maximum density
Silica has a temperature of maximum density (TMD)
- Peter H. Poole, Mahin Hemmati, and C. Austen Angell "Comparison of Thermodynamic Properties of Simulated Liquid Silica and Water", Physical Review Letters 79 pp. 2281-2284 (1997)
- M. Scott Shell, Pablo G. Debenedetti, and Athanassios Z. Panagiotopoulos "Molecular structural order and anomalies in liquid silica", Physical Review E 66 011202 (2002)
Polymorphism
Silica has a number of crystal structures.
Polyamorphism
Silica has a polyamorphic (liqid-liquid) phase transition.
- G. D. Mukherjee, S. N. Vaidya, and V. Sugandhi "Direct Observation of Amorphous to Amorphous Apparently First-Order Phase Transition in Fused Quartz", Physical Review Letters 87 195501 (2001)
- Ivan Saika-Voivod, Peter H. Poole and Francesco Sciortino "Fragile-to-strong transition and polyamorphism in the energy landscape of liquid silica", Nature 412 pp. 514-517 (2001)
References
- Matthew H. Ford, Scott M. Auerbach and P. A. Monson "On the mechanical properties and phase behavior of silica: A simple model based on low coordination and strong association", Journal of Chemical Physics 121 8415 (2004)
- Ivan Saika-Voivod, Francesco Sciortino, Tor Grande, Peter H. Poole "Simulated silica", Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 363 pp. 525-535 (2005)