The Effect of the Anharmonicity in a Perturbation Estimate of the Self-Diffusion Coefficient | Zendy

Takaki Indoh | Zendy; Masaru Aniya | Zendy

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The Effect of the Anharmonicity in a Perturbation Estimate of the Self-Diffusion Coefficient

Author(s) -

Takaki Indoh,

Masaru Aniya

Publication year - 2011

Publication title -

physics research international

Language(s) - English

Resource type - Journals

eISSN - 2090-2239

pISSN - 2090-2220

DOI - 10.1155/2011/645264

Subject(s) - anharmonicity , perturbation (astronomy) , oscillation (cell signaling) , jump , maxima and minima , harmonic potential , expression (computer science) , vibration , diffusion , physics , harmonic , mathematical analysis , materials science , condensed matter physics , thermodynamics , quantum mechanics , mathematics , computer science , programming language , genetics , biology

A perturbative expression for the self diffusion coefficient is derived by considering that the particles are executing anharmonic vibrations around the sites with local potential minima and jump to neighbor sites after a certain waiting time. The derived expression is a natural extension of the expression obtained by Zwanzig that assumes harmonic oscillations. The relation between the low frequency oscillation and the deviation from the harmonic behavior is also shown

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