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Statistical Mechanics of Time Independent Non-Dissipative Nonequilibrium States

机译:统计机制独立非耗散非审核态

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Amorphous solids are typically nonergodic and thus a more general formulation of statistical mechanics, with a clear link to thermodynamics, is required. We present a rigorous development of the nonergodic statistical mechanics and the resulting thermodynamics for a canonical ensemble, where the 6N dimensional phase space contains a set of distinct nonoverlapping domains. An ensemble member which is initially in one domain is assumed to remain there for a time long enough that the distribution within the domain is Boltzmann weighted. The number of ensemble members in each domain is arbitrary. The lack of an a priori specification of the number of members in each domain is a key differences between the work presented here and existing energy landscape treatments of the glass transition. Another important difference is that the derivation starts with the phase space distribution function rather than an equilibrium expression for the free energy. The utility of this newly derived statistical mechanics is demonstrated by deriving an expression for the heat capacity of the ensemble. Computer simulations on a model glass former are used to provide a demonstration of the validity of this result which is different to the predictions of standard equilibrium statistical mechanics.
机译:无定形固体通常是不经精通的,因此需要更普遍的统计力学配方,具有清晰的热力学链接。我们对典型集合的非精通统计力学和所得热力学的严谨开发,其中6N尺寸相空间包含一组不同的非覆盖域。最初在一个域中的集合构件假设在那里留下足够长的时间,即域内的分布是Boltzmann加权。每个域中的集合成员数是任意的。缺乏每个领域中的成员数量的先验规范是这里所提供的工作与玻璃转变的现有能量景观处理之间的关键差异。另一个重要差异是,推导以相空间分布函数而不是自由能的平衡表达。通过导出集合的热容量的表达来证明这种新导出的统计力学的效用。模型玻璃前的计算机模拟用于提供该结果的有效性的演示,这与标准均衡统计力学的预测不同。

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