Atomistic insight into viscosity and density of silicate melts under pressure

Nature Communications

Volumn 5, Issue , 2014, Pages

  Wang, Yanbin ^a   Sakamaki, Tatsuya ^a,d   Skinner, Lawrie B ^b   Jing, Zhicheng ^a,e   Yu, Tony ^a   Kono, Yoshio ^c   Park, Changyong ^c   Shen, Guoyin ^c   Rivers, Mark L ^a   Sutton, Stephen R ^a  

^a UNIVERSITY OF CHICAGO   (United States)

^b STONY BROOK UNIVERSITY   (United States)

^c CARNEGIE INSTITUTION OF WASHINGTON   (United States)

^d TOHOKU UNIVERSITY   (Japan)

^e CASE WESTERN RESERVE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; SILICATE; SILICON;

ALUMINUM; CONNECTIVITY; POLYMERIZATION; PRESSURE EFFECT; SILICATE; SILICON; TURNOVER; VISCOSITY;

ARTICLE; CHEMICAL BOND; COMPRESSION; DENSITY; LIQUID; PRESSURE; VISCOSITY;

EID: 84894324102     PISSN: None     EISSN: 20411723     Source Type: Journal    
DOI: 10.1038/ncomms4241     Document Type: Article

References (70)

1. Abe, Y. Thermal and chemical evolution of the terrestrial magma ocean. Phys. Earth Planet. In. 100, 27-39 (1997).
2. Kushiro, I., Mysen, B. O. A possible effect of melt structure on the Mg-Fe2\+ partitioning between olivine and melt. Geochim. Cosmochim. Acta 66, 2267-2272 (2002).
3. Schubert, G., Turcotte, D. L., Olson, P. Mantle Convection in the Earth and Planets 940 (Cambridge University Press, 2001).
4. Kitamura, N., Toguchi, Y., Funo, S., Yamashita, H., Kinoshita, M. Refractive index of densified silica glass. J. Non-Cryst. Solids 159, 241-245 (1993).
5. Angell, C. A. Formation of glasses from liquids and biopolymers. Science 267, 1924-1935 (1995).
6. Sampath, S. et al. Intermediate-range order in permanently densified GeO2 glass. Phys. Rev. Lett. 90, 115502 (2003).
7. Mysen, B. O., Virgo, D., Seifert, F. A. The structure of silicate melts: implications for chemical and physical properties of natural magma. Rev. Geophys. 20, 353-383 (1982).
8. Hui, H. Viscosity of Silicate Melts. PhD thesis, Univ. Michigan (2008).
9. Suzuki, A. et al. Pressure and temperature dependence of the viscosity of a NaAlSi2O6 melt. Phys. Chem. Minerals 38, 59-64 (2011).
10. Mori, S., Ohtani, E., Suzuki, A. Viscosity of the albite melt to 7 GPa at 2000 K. Earth Planet. Sci. Lett. 175, 87-92 (2000).
11. Funakoshi, K., Suzuki, A., Terasaki, H. In situ viscosity measurements of albite melt under high pressure. J. Phys. Condens. Matter 14, 11343 (2002).
12. Suzuki, A., Ohtani, E., Funakoshi, K., Terasaki, H., Kubo, T. Viscosity of albite melt at high pressure and high temperature. Phys. Chem. Minerals 29, 159-165 (2002).
13. Tinker, D., Lesher, C. E., Baxter, G. M., Uchida, T., Wang, Y. High-pressure viscometry of polymerized silicate melts and limitations of the Eyring equation. Am. Mineral. 89, 1701-1708 (2004).
14. Suzuki, A., Ohtani, E., Terasaki, H., Funakoshi, K.-i. Viscosity of silicate melts in CaMgSi2O6-NaAlSi2O6 system at high pressure. Phys. Chem. Minerals 32, 140-145 (2005).
15. Allwardt, J. R. et al. Effect of structural transitions on properties of highpressure silicate melts: 27Al NMR, glass densities, and melt viscosities. Am. Mineral. 92, 1093-1104 (2007).
16. Sakamaki, T. et al. Ponded melt at the boundary between the lithosphere and asthenosphere. Nat. Geosci. 6, 1041-1044 (2013).
17. Wolf, G. H., McMillan, P. F. in Reviews in Mineralogy Vol. 32 (eds Stebbins, J., Dingwell, D., McMillan, P. F.) 505-561 (Mineralogical Society of America, 1995).
18. Taniguchi, H. Entropy dependence of viscosity and the glass-transition temperature of melts in the system diopside-anorthite. Contrib. Mineral. Petrol. 109, 295-303 (1992).
19. Reid, J. E. et al. The viscosity of CaMgSi2O6 liquid at pressures up to 13 GPa. Phys. Earth Planet. In. 139, 45-54 (2003).
20. Zhang, L., Van Orman, J. A., Lacks, D. J. Molecular dynamics investigation of MgO-CaO-SiO2 liquids: influence of pressure and composition on density and transport properties. Chem. Geol. 275, 50-57 (2010).
21. Kanzaki, M. et al. in High-pressure Research in Mineral Physics (eds Manghnani, M. H., Syono, Y.) 195-200 (Terrapub/AGU, 1987).
22. Eyring, H. Viscosity, plasticity, and diffusion as examples of absolute reaction rates. J. Chem. Phys. 4, 283-291 (1936).
23. Poe, B. T. et al. Silicon and oxygen self-diffusivities in silicate liquids measured to 15 Gigapascals and 2800 Kelvin. Science 276, 1245-1248 (1997).
24. Tinker, D., Lesher, C. E., Hutcheon, I. D. Self-diffusion of Si and O in diopside-anorthite melt at high pressures. Geochim. Cosmochim. Acta 67, 133-142 (2003).
25. Woodcock, L. V., Angell, C. A., Cheeseman, P. Molecular dynamics studies of the vitreous state: simple ionic systems and silica. J. Chem. Phys. 65, 1565-1577 (1976).
26. Rivers, M. L., Carmichael, I. S. E. Ultrasonic studies of silicate melts. J. Geophys. Res. 92, 9247-9270 (1987).
27. Jing, Z., Karato, S.-i. A new approach to the equation of state of silicate melts: An application of the theory of hard sphere mixtures. Geochim. Cosmochim. Acta 75, 6780-6802 (2011).
28. Jing, Z., Karato, S.-i. Compositional effect on the pressure derivatives of bulk modulus of silicate melts. Earth Planet. Sci. Lett. 272, 429-436 (2008).
29. Thorpe, M. F. Continuous deformations in random networks. J. Non-Cryst. Solids 57, 355-370 (1983).
30. Phillips, J. C. Topology of covalent non-crystalline solids I: short-range order in chalcogenide alloys. J. Non-Cryst. Solids 34, 153-181 (1979).
31. Stebbins, J. F., Xu, Z. NMR evidence for excess non-bridging oxygen in an aluminosilicate glass. Nature 390, 60-62 (1997).
32. Shen, G., Prakapenka, V. B., Rivers, M. L., Sutton, S. R. Structure of liquid iron at pressures up to 58 GPa. Phys. Rev. Lett. 92, 185701 (2004).
33. Salmon, P. S. et al. Density-driven structural transformations in network forming glasses: a high-pressure neutron diffraction study of GeO2 glass up to 17.5 GPa. J. Phys. Condens. Matter 24, 415102 (2012).
34. Drewitt, J. W. E. et al. Structure of GeO2 glass at pressures up to 8.6 GPa. Phys. Rev. B 81, 014202 (2010).
35. Guthrie, M. et al. Formation and structure of a dense octahedral glass. Phys. Rev. Lett. 93, 115504 (2004).
36. Sato, T., Funamori, N. Sixfold-coordinated amorphous polymorph of SiO2 under high pressure. Phys. Rev. Lett. 101, 255502 (2008).
37. Benmore, C. J. et al. Structural and topological changes in silica glass at pressure. Phys. Rev. B 81, 054105 (2010).
38. van Heck, H. J., Tackley, P. J. Planforms of self-consistently generated plates in 3D spherical geometry. Geophys. Res. Lett. 35, L19312 (2008).
39. Skinner, L. B. et al. Joint diffraction and modeling approach to the structure of liquid alumina. Phys. Rev. B 87, 024201 (2013).
40. Paradis, P.-F., Ishikawa, T., Saita, Y., Yoda, S. Non-contact thermophysical property measurements of liquid and undercooled alumina. Jpn J. Appl. Phys. 43, 1496-1500 (2004).
41. Weber, R., Sen, S., Youngman, R. E., Hart, R. T., Benmore, C. J. Structure of high alumina content Al2O3-SiO2 composition glasses. J. Phys. Chem. B 112, 16726-16733 (2008).
42. Allwardt, J. R. et al. Aluminum coordination and the densification of highpressure aluminosilicate glasses. Am. Mineral. 90, 1218-1222 (2005).
43. Cormier, L., Ghaleb, D., Neuville, D. R., Delaye, J.-M., Calas, G. Chemical dependence of network topology of calcium aluminosilicate glasses: a computer simulation study. J. Non-Cryst. Solids 332, 255-270 (2003).
44. Mei, Q. et al. Diffraction study of calcium aluminate glasses and melts: II. High energy X-ray diffraction on melts. J. Phys. Condens. Matter 20, 245107 (2008).
45. Mei, Q., Benmore, C. J., Siewenie, J., Weber, J. K. R., Wilding, M. Diffraction study of calcium aluminate glasses and melts: I. High energy X-ray and neutron diffraction on glasses around the eutectic composition. J. Phys. Condens. Matter 20, 245106 (2008).
46. Skinner, L. B. et al. Structure and triclustering in Ba-Al-O glass. Phys. Rev. B 85, 064201 (2012).
47. Du, J., Benmore, C., Corrales, R., Hart, R. T., Weber, J. K. R. A molecular dynamics simulation interpretation of neutron and X-ray diffraction measurements on single phase Y2O3-Al2O3 glasses. J. Phys. Condens. Matter 21, 205102 (2009).
48. Du, J., Corrales, R. L. Understanding lanthanum aluminate glass structure by correlating molecular dynamics simulation results with neutron and X-ray scattering data. J. Non-Cryst. Solids 353, 210-214 (2007).
49. Benmore, C. J. et al. A neutron and X-ray diffraction study of calcium aluminate glasses. J. Phys. Condens. Matter 15, S2413 (2003).
50. Du, J., Cormack, A. N. The medium range structure of sodium silicate glasses: a molecular dynamics simulation. J. Non-Cryst. Solids 349, 66-79 (2004).
51. Cormier, L., Cuello, G. J. Mg coordination in a MgSiO3 glass using neutron diffraction coupled with isotopic substitution. Phys. Rev. B 83, 224204 (2011).
52. Skinner, L. B. et al. Structure of molten CaSiO3: neutron diffraction isotope substitution with aerodynamic levitation and molecular dynamics study. J. Phys. Chem. B 116, 13439-13447 (2012).
53. Hannon, A. C., Parker, J. M., Vessal, B. Neutron diffraction analysis of the atomic short range order in lead gallate glasses. J. Non-Cryst. Solids 232-234, 51-58 (1998).
54. Wezka, K. et al. Structure of praseodymium and neodymium gallate glasses. J. Non-Cryst. Solids 357, 2511-2515 (2011).
55. Hannon, A. C., Di Martino, D., Santos, L. F., Almeida, R. M. Ge-O coordination in cesium germanate glasses. J. Phys. Chem. B 111, 3342-3354 (2007).
56. Shannon, R. D., Prewitt, C. T. Effective ionic radii in oxides and fluorides. Acta Crystallogr. Sect. B 25, 925-946 (1969).
57. Torquato, S., Truskett, T. M., Debenedetti, P. G. Is random close packing of spheres well defined Phys. Rev. Lett. 84, 2064-2067 (2000).
58. Funakoshi, K. Energy-dispersive X-ray Diffraction Study for Alkali Silicate Melts Using Synchrotron Radiation Under High Pressure and Temperature. PhD thesis, Tokyo Institute of Technology (1995).
59. Yamada, A. et al. High-pressure X-ray diffraction studies on the structure of liquid silicate using a Paris-Edinburgh type large volume press. Rev. Sci. Instrum. 82, 015103-015107 (2011).
60. Inamura, Y., Katayama, Y., Utsumi, W., Funakoshi, K.-i. Transformations in the intermediate-range structure of SiO2 glass under high pressure and temperature. Phys. Rev. Lett. 93, 015501 (2004).
61. Elliott, S. R. Extended-range order, interstitial voids and the first sharp diffraction peak of network glasses. J. Non-Cryst. Solids 182, 40-48 (1995).
62. Soper, A. K., Barney, E. R. On the use of modification functions when Fourier transforming total scattering data. J. Appl. Crystallogr. 45, 1314-1317 (2012).
63. Hoover, W. G. Canonical dynamics: equilibrium phase-space distributions. Phys. Rev. A 31, 1695-1697 (1984).
64. Dunn, T. Oxygen diffusion in three silicate melts along the join diopsideanorthite. Geochim. Cosmochim. Acta 46, 2293-2299 (1982).
65. Toplis, M. J., Dingwell, D. B., Lenci, T. Peraluminous viscosity maxima in Na2O-Al2O3-SiO2 liquids: the role of triclusters in tectosilicate melts. Geochim. Cosmochim. Acta 61, 2605-2612 (1997).
66. Bottinga, Y., Richet, P. Silicate melts: the 'anomalous' pressure dependence of the viscosity. Geochim. Cosmochim. Acta 59, 2725-2731 (1995).
67. He, H., Thorpe, M. F. Elastic properties of glasses. Phys. Rev. Lett. 54, 2107-2110 (1985).
68. McKenzie, D. The generation and compaction of partially molten rock. J. Petrol. 25, 713 (1984).
69. Coltice, N. et al. Global warming of the mantle beneath continents back to the Archaean. Gondwana Res. 15, 254-266 (2009).
70. Mountjoy, G., Al-Hasni, B. M., Storey, C. Structural organisation in oxide glasses from molecular dynamics modelling. J. Non-Cryst. Solids 357, 2522-2529 (2011).