Silica: Difference between revisions

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<ref>[http://dx.doi.org/10.1103/PhysRevLett.80.2145 David M. Teter, Russell J. Hemley, Georg Kresse and Jürgen Hafner "High Pressure Polymorphism in Silica", Physical Review Letters  '''80''' pp. 2145-2148 (1998)]</ref>
<ref>[http://dx.doi.org/10.1103/PhysRevLett.80.2145 David M. Teter, Russell J. Hemley, Georg Kresse and Jürgen Hafner "High Pressure Polymorphism in Silica", Physical Review Letters  '''80''' pp. 2145-2148 (1998)]</ref>
==Polyamorphism==
==Polyamorphism==
Silica has a [[Polyamorphic systems |polyamorphic]] (liqid-liquid) phase transition.
Silica has a [[Polyamorphic systems |polyamorphic]] (liqid-liquid) phase transition
<ref>[http://dx.doi.org/10.1103/PhysRevLett.87.195501  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)]</ref>
<ref>[http://dx.doi.org/10.1103/PhysRevLett.87.195501  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)]</ref>
<ref>[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)]</ref>. A recent study has concluded that neither the BKS nor the WAC models have a [[Critical points|critical point]] <ref>[http://dx.doi.org/10.1063/1.4879057 Erik Lascaris, Mahin Hemmati, Sergey V. Buldyrev, H. Eugene Stanley and C. Austen Angell "Search for a liquid-liquid critical point in models of silica", Journal of Chemical Physics '''140''' 224502 (2014)]</ref>.
<ref>[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)]</ref>
<ref>[http://dx.doi.org/10.1063/1.4984335 Renjie Chen, Erik Lascaris, and Jeremy C. Palmer "Liquid–liquid phase transition in an ionic model of silica", Journal of Chemical Physics 146, 234503 (2017)]</ref>.
A recent study has concluded that neither the BKS nor the WAC models have a [[Critical points|critical point]] <ref>[http://dx.doi.org/10.1063/1.4879057 Erik Lascaris, Mahin Hemmati, Sergey V. Buldyrev, H. Eugene Stanley and C. Austen Angell "Search for a liquid-liquid critical point in models of silica", Journal of Chemical Physics '''140''' 224502 (2014)]</ref>.
 
==References==
==References==
<references/>
<references/>
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*[http://dx.doi.org/10.1063/1.4885141  Chitra Rajappa, S. Bhuvaneshwari Sringeri, Yashonath Subramanian and J. Gopalakrishnan "A molecular dynamics study of ambient and high pressure phases of silica: Structure and enthalpy variation with molar volume", Journal of Chemical Physics '''140''' 244512 (2014)]
*[http://dx.doi.org/10.1063/1.4885141  Chitra Rajappa, S. Bhuvaneshwari Sringeri, Yashonath Subramanian and J. Gopalakrishnan "A molecular dynamics study of ambient and high pressure phases of silica: Structure and enthalpy variation with molar volume", Journal of Chemical Physics '''140''' 244512 (2014)]
*[http://dx.doi.org/10.1063/1.4913747  Erik Lascaris, Mahin Hemmati, Sergey V. Buldyrev, H. Eugene Stanley and C. Austen Angell "Diffusivity and short-time dynamics in two models of silica", Journal of Chemical Physics '''142''' 104506 (2015)]
*[http://dx.doi.org/10.1063/1.4913747  Erik Lascaris, Mahin Hemmati, Sergey V. Buldyrev, H. Eugene Stanley and C. Austen Angell "Diffusivity and short-time dynamics in two models of silica", Journal of Chemical Physics '''142''' 104506 (2015)]
 
*[http://dx.doi.org/10.1063/1.4937394 Sergei Izvekov and Betsy M. Rice "A new parameter-free soft-core potential for silica and its application to simulation of silica anomalies", Journal of Chemical Physics '''143''' 244506 (2015)]


[[category:Polyamorphic systems]]
[[category:Polyamorphic systems]]

Latest revision as of 10:34, 23 June 2017

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Silica (Silicon dioxide) is a very interesting system, sharing many similarities with the physical properties of water.

Models[edit]

[1] [2] [3]

Beest, Kramer and van Santen (BKS)[edit]

[4]

Woodcock, Angell and Cheeseman (WAC)[edit]

[5]

Phase diagram[edit]

[6]

Critical point[edit]

[7]

Temperature of maximum density[edit]

Silica has a temperature of maximum density (TMD) [8] [9]

Polymorphism[edit]

Silica has a number of crystal structures. [10]

Polyamorphism[edit]

Silica has a polyamorphic (liqid-liquid) phase transition [11] [12] [13]. A recent study has concluded that neither the BKS nor the WAC models have a critical point [14].

References[edit]

  1. ↑ P. Tangney and S. Scandolo "An ab initio parametrized interatomic force field for silica", Journal of Chemical Physics 117 8898 (2002)
  2. ↑ 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)
  3. ↑ Philipp Beck, Peter Brommer, Johannes Roth, and Hans-Rainer Trebin "Ab initio based polarizable force field generation and application to liquid silica and magnesia", Journal of Chemical Physics 135 234512 (2011)
  4. ↑ 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)
  5. ↑ L. V. Woodcock, C. A. Angell and P. Cheeseman "Molecular dynamics studies of the vitreous state: Simple ionic systems and silica", Journal of Chemical Physics 65 pp. 1565- (1976)
  6. ↑ Ivan Saika-Voivod, Francesco Sciortino, Tor Grande, and Peter H. Poole "Phase diagram of silica from computer simulation", Physical Review E 70 061507 (2004)
  7. ↑ Emanuela Bianchi, Piero Tartaglia, and Francesco Sciortino "Theoretical and numerical estimates of the gas-liquid critical point of a primitive model for silica", Journal of Chemical Physics 129 224904 (2008)
  8. ↑ 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)
  9. ↑ M. Scott Shell, Pablo G. Debenedetti, and Athanassios Z. Panagiotopoulos "Molecular structural order and anomalies in liquid silica", Physical Review E 66 011202 (2002)
  10. ↑ David M. Teter, Russell J. Hemley, Georg Kresse and Jürgen Hafner "High Pressure Polymorphism in Silica", Physical Review Letters 80 pp. 2145-2148 (1998)
  11. ↑ 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)
  12. ↑ 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)
  13. ↑ Renjie Chen, Erik Lascaris, and Jeremy C. Palmer "Liquid–liquid phase transition in an ionic model of silica", Journal of Chemical Physics 146, 234503 (2017)
  14. ↑ Erik Lascaris, Mahin Hemmati, Sergey V. Buldyrev, H. Eugene Stanley and C. Austen Angell "Search for a liquid-liquid critical point in models of silica", Journal of Chemical Physics 140 224502 (2014)
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