通过电子衍射揭示晶体的无序熵：一种统计力学方法
Unveiling a crystal's entropy of disorder via electron diffraction. A statistical mechanics approach
AI总结：
本文提出一种基于电子衍射信号衰减的统计力学方法，通过阿伦尼乌斯频率因子实验测定晶体无序熵，连接克劳修斯与玻尔兹曼公式，适用于飞克量级热不稳定及生物分子晶体。
摘要：
在熔化时，晶体中的分子探索众多构型，反映了无序度的增加。无序的摩尔熵可以通过玻尔兹曼公式 dSd = Rln(Wd) 定义，其中 Wd 是微观状态数的增加量，迄今在实验上无法直接获取。我们发现，电子衍射信号衰减的阿伦尼乌斯频率因子 A 通过实验方程 A = AINTWd 提供了 Wd，其中 AINT 是非弹性散射截面。该方法在实验上将克劳修斯与玻尔兹曼联系起来，补充了克劳修斯方法，适用于飞克量级的热不稳定晶体和生物分子晶体。数据还表明，晶体无序化与熔体结晶是互逆的，两者均由熵变控制，但表现方向相反。
英文摘要：
Upon melting, the molecules in the crystal explore numerous configurations, reflecting an increase in disorder. The molar entropy of disorder can be defined by Bolzmann's formula dSd = Rln(Wd) where Wd is the increase in the number of microscopic states, so far inaccessible experimentally. We found that the Arrhenius frequency factor A of the electron diffraction signal decay provides Wd via an experimental equation A = AINTWd where AINT is an inelastic scattering cross-section. The method connects Clausius and Boltzmann experimentally and supplements the Clausius approach, being applicable to a femtogram quantity of thermally unstable and biomolecular crystals. The data also showed that crystal disordering and crystallization of melt are reciprocal, both governed by the entropy change, but manifesting in opposite directions.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
