A Temperature Shift Method in Canonical Molecular Dynamics

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概要

• 論文の詳細を見る

• We propose a method for obtaining the average values of physical quantities at tem-peratures different from the assumed value from a simulation calculation of the con-stant temperature molecular dynamics (MD) with a fixed temperature. The method isdeveloped on the basis of Nosc:'s canonical MD. The preseutt method is numericallytested in a simulation on a 13-atom Lennard-Jones cluster.[canonical molecular dynamics, temperature shift, Nose's method, Lennard- ll Jones clusterl

• 社団法人日本物理学会の論文
• 1989-04-15

著者

• Otsuka Hiromi

  Department Of Physics Faculty Of Science Osaka University

• Otsuka Hiromi

  Departmentof Physics Faculty Of Science Osaka University

• Otsuka Hiromi

  Department Of Orthopaedics Aichi Medical University

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