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Dynamics and Thermodynamics of Nanoclusters

机译:纳米团簇的动力学和热力学

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The dynamic and thermodynamic properties of nanoclusters are studied in two different environments: the canonical and microcanonical ensembles. A comparison is made to thermodynamic properties of the bulk. It is shown that consistent and reproducible results on nanoclusters can only be obtained in the canonical ensemble. Nanoclusters in the microcanonical ensemble are trapped systems, and inconsistencies will be found if thermodynamic formalism is applied. An analytical model is given for the energy dependence of the phase space volume of nanoclusters, which allows the prediction of both dynamical and thermodynamical properties.
机译:在两种不同的环境中研究了纳米团簇的动力学和热力学性质:规范和微规范集合。对块的热力学性质进行了比较。结果表明,只有在典型的集合中才能获得一致且可重复的纳米簇结果。微经典合集中的纳米团簇是受困的系统,如果应用热力学形式论,则会发现不一致之处。针对纳米团簇的相空间体积的能量依赖性,给出了一个分析模型,该模型可以预测动力学和热力学性质。

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