Molecular Dynamics Studies of Molten AgI. I. Structure and Dynamical Properties

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概要

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• The structural and dynamical properties of molten Agl are investigated usingmolecular dynamics calculations and pair potentials originally given by Parrinello etal. and modified by authors. The total pair distribution fttnctions, thus obtained, arein good agreement with experimental results by Takahashi et at. and with theoreticalresults by Stafford and Silbert. The wave-number-dependent static dielectric functione(A) is also calculated with use of the charge correlation function in the both cx- andmolten phases. In the cc-phase, e(A) is negative for small wave numbers and ap-proaches zero at special wave numbers, which correspond to the positions of theDebye lines in the reciprocal lattice space. e (A) in the molten phase shows the forerunning phenomenon to the crystalization, which is a very similar behavior to that in thestrongly coupled one component plasma.[moltenIsimulation, l] structure ,function, }l crystalizationlAgl, superuonic conductor, rnolecular dynamics, computerfactor collectuve motion, diffusion coefficient, dielectric

• 社団法人日本物理学会の論文
• 1991-11-15

著者

• Shimojo Fuyuki

  Graduate School Of Science And Technology Kumamoto University

• Kobayashi M

  Niigata Univ. Niigata

• Kobayashi Michihiro

  Department Of Material Physics

• Kobayashi Michisuke

  Department Of Physice Nigata University

• Kobayashi M

  Osaka Univ. Oska

• KOBAYASHI Michisuki

  Department of Physics,Niigata University

• KAWAGUTI Minato

  Faculty of Engineering, Fukui University

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