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Thermodynamics of glasses: A first principles computation

科研成果: 期刊稿件文章同行评审

摘要

We propose a first principles computation of the thermodynamics of simple fragile glasses starting from the two-body interatomic potential. A replica formulation translates this problem into that of a gas of interacting molecules, each molecule being build of m atoms, and having a gyration radius (related to the cage size) which vanishes at zero temperature. We use a small cage expansion, valid at low temperatures, which allows us to compute the cage size, the specific heat (which follows the Dulong-Petit law) and the configurational entropy.

源语言英语
页(从-至)A157-A165
期刊Journal of Physics Condensed Matter
11
10A
DOI
出版状态已出版 - 1999
已对外发布

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