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'Molecular dynamics' in keywords Facet   Publication Year 1999  [X]
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1Author    Yoshihiro Okamoto, Toru OgawaRequires cookie*
 Title    Structure and Dynamic Properties of Molten Lanthanum Tribromide  
 Abstract    The structure of molten LaBr 3 was investigated by X-ray diffraction and molecular dynamics simu-lations. It was found that the short range structure of molten LaBr 3 is very similar to that of molten LaCl 3 , except for some structural features such as interionic distances based on the difference of anion sizes. In the MD simulation, the shear viscosity of molten LaBr 3 was estimated from the structurally-optimized MD calculations. 
  Reference    Z. Naturforsch. 54a, 91—94 (1999); received November 27 1998 
  Published    1999 
  Keywords    Molten Salt, Rare Earth Halide, X-ray Diffraction, Molecular Dynamics 
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 TEI-XML for    default:Reihe_A/54/ZNA-1999-54a-0091.pdf 
 Identifier    ZNA-1999-54a-0091 
 Volume    54 
2Author    Yoshihiro Okamoto, Torn OgawaRequires cookie*
 Title    Structure and Thermodynamic Properties of Molten Rare Earth-Alkali Chloride Mixtures  
 Abstract    The dependence of the enthalpy of mixing on the structure of molten rare earth-alkali chloride mixtures has been investigated by molecular dynamics simulation. The experimental enthalpy of the mixing with its negative and its dependence on the cation size was qualitatively reproduced. It became clear that the enthalpy of mixing depends on the structural features of short and medium range. 
  Reference    Z. Naturforsch. 54a, 599—604 (1999); received August 16 1999 
  Published    1999 
  Keywords    Molten Salt, Molecular Dynamics, Enthalpy of Mixing, Rare Earth-alkali Chloride Mixture 
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 TEI-XML for    default:Reihe_A/54/ZNA-1999-54a-0599.pdf 
 Identifier    ZNA-1999-54a-0599 
 Volume    54