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Molecular Simulation Volume 6, 1991 - Issue 4-6
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Original Articles

A Molecular Dynamics Simulation of Na2O·2SiO2 - K2 O·2SiO2 Melts—Effect of Basic Cell Size

Katsuyuki Kawamura Department of Chemistry, Hokkaido University, Sapporo, 060, Hokkaido, Japan
Pages 245-255 | Received 01 May 1990, Accepted 01 Jun 1990, Published online: 23 Sep 2006

References

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  • Chastel , R. , Bergman , C. , Rogez , J. and Mathieu , J.-C. 1987 . Excess thermodynamic functions in ternary Na2O–K2O–SiO2 melts by Knudsen cell mass spectrometry . Chem. Geology , 62 : 19
  • Rogez , J. and Mathieu , J.-C. 1985 . Enthalpie de Formation dans le Système Na2O–K2O–SiO2 . Phys. Chem. Liq. , 14 : 259
  • Kawamura , K. 1985 . “ Molecular dynamics simulations of silicate crystal structures ” . Univeristy of Tokyo . (in, Japanese), Ph.D. Thesis
  • Xu , Q. , Kawamura , K. and Yokokawa , T. 1988 . Molecular dynamics calculations for boron oxide and sodium borate glasses . J. Non-Cryst. Solids , 104 : 261
  • Ogawa , H. , Shiraishi , Y. , Kawamura , K. and Yokokawa , T. 1990 . Molecular dynamics study on the shear viscosity of molten Na2O2SiO2 . J. Non-Cryst. Solids , 119 : 151
  • Pant , A. K. and Cruickshank , D. W.J. 1968 . The crystal structure of α-Na2Si2O5 . Acta Cryst. , B24 : 13
  • Nose , S. 1984 . A unified formation of the constant temperature molecular dynamics methods . J. Chem. Phys. , 81 : 511 (1)
  • Parrinello , M. and Rahman , A. 1981 . Polymorphic transitions in single crystal: A new molecular dynamics method . J. Appl. Phys. , 52 : 7182 (12)
  • Perie , J. and Chemla , M. 1960 . électromigration en contre-courant dans des mélanges d'halogénures fondus . C.R. Acad. Sci. Paris , 250 : 3986
  • Murdoch , J. B. , Stebbins , J. F. and Carmichael , I. S.E. 1985 . High-resolution 29Si NMR study of silicate and aluminosilicate glasses: the effect of network-modifying cations . Am. Mineral. , 70 : 332
  • Maekawa , A. T. , Kawamura , K. and Yokokawa , T. Structural species in alkali silicate glasses by 29SI MAS-NMR in preparation

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