The essence of phase transitions in condensed matter by an information theoretic approach.
The essence of phase transitions in condensed matter by an information theoretic approach.
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通过信息论方法研究凝聚态相变的本质。
DOI：
10.1073/pnas.2310281120
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发表时间：
2023
影响因子：
11.1
通讯作者：
Levine,RD
中科院分区：
文献类型：
--
作者：
Raz,T;Levine,RD
我们的信息理论考虑表明，凝聚态相变的本质是熵的变化，这反映在两相之间同分异构体数量的变化上。同分异构体的显式数目作为大小的函数是使用图论方法计算的，与较小系统的直接计数相比。这使我们能够将一种共同的方法应用于纳米系统及其宏观极限。熵随着尺寸的增大而迅速增加，结果是用平均值代替实际的尺寸分布并不是一个准确的近似值。相变是温度的尖锐函数，这是由于固相和液相的高热容。跃迁时的熵差与特劳顿-理查兹定理有关。有限系统两相边界的有限宽度与最大熵形式的固有不确定性乘积有关，这是平衡波动的结果。随着系统尺寸的增大，边界变得更清晰，人们恢复了通常的热力学描述。
Our information theoretic considerations suggest that the essence of phase transitions in condensed matter is the change in entropy as reflected in the change in the number of isomers between two phases. The explicit number of isomers as a function of size is computed using a graph theoretic approach that is compared to a direct count for smaller systems. This allows us to apply a common approach to both nanosystems and their macroscopic limit. The entropy increases very rapidly with size with the results that replacing the actual distribution over size by an average is not an accurate approximation. That the phase transition is a sharp function of the temperature is due to the high heat capacity of both the solid and liquid phases. The difference in entropy at the transition is related to the Trouton–Richards considerations. The finite width of the boundary between two phases of a finite system is related to the inherent uncertainty product that is derived from the maximum entropy formalism and that is a result of the fluctuations about equilibrium. As the system size increases, the boundary becomes sharper and one recovers the usual thermodynamic description.