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2001 (1)
1Author    Masahiko Matsumiya, Ryuzo Takagi3Requires cookie*
 Title    Molecular Dynamics Simulation of the Internal Mobilities in Molten (D y ^ K ) Cl  
 Abstract    Molecular dynamics simulations have been performed on molten (Dyi/3,K)C1 at 1093 K in order to compare the calculated self-exchange velocity (SEV), self-diffusion coefficient (D) and electrical con­ ductivity with the corresponding experimental results. It was found that SEV, v, and D of potassium de­ crease with increasing concentration of dysprosium, as expected from the internal mobility, b. The decrease of bK, vK, and DK are ascribed to the tranquilization effect by Dy3+ which strongly inter­ acts with CP. On the contrary, bDy, vDy, and £>Dy increase with increasing concentration of Dy3+. This may be attributed to the stronger association of Dy3+ with Cl~ due to the enhanced charge asym­ metry of the two cations neighboring to the Cl-. In addition, the sequence of the calculated SEV's, D's and electrical conductivities for the various compositions were consistent with those of the referred ex­ perimental results. 
  Reference    Z. Naturforsch. 56a, 273—278 (2001); received January 22 2001 
  Published    2001 
  Keywords    Electrical Conductivity, Internal Cation Mobility, Molten DyCl3-KCl, Molecular Dynam­ ics Simulation, Self-exchange Velocity, Self-diffusion Coefficient 
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 TEI-XML for    default:Reihe_A/56/ZNA-2001-56a-0273.pdf 
 Identifier    ZNA-2001-56a-0273 
 Volume    56