On (not) deriving the entropy of barocaloric phase transitions from crystallography and neutron spectroscopy
On (not) deriving the entropy of barocaloric phase transitions from crystallography and neutron spectroscopy
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关于（不）从晶体学和中子光谱中推导出压热相变的熵
DOI：
10.1088/2515-7655/ad0d00
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发表时间：
2023
期刊：
影响因子：
9
通讯作者：
Phillips A
中科院分区：
文献类型：
--
作者：
Phillips A
我们认为众所周知的签名的晶体学和非弹性中子散射数据的无序。我们表明，这些可以产生于不同类型的混乱，对应于不同的系统熵值。将材料的熵与其原子结构和动力学相关联通常是一个困难的问题，需要将包括晶体学，光谱学和量热法在内的多种实验技术之间的信息相关联。这些评论是特别参照压热量来说明的，但与广泛的热量和其他无序晶体材料有关。
We consider well-known signatures of disorder in crystallographic and inelastic neutron scattering data. We show that these can arise from different types of disorder, corresponding to different values of the system entropy. Correlating the entropy of a material with its atomistic structure and dynamics is in general a difficult problem that requires correlating information between multiple experimental techniques including crystallography, spectroscopy, and calorimetry. These comments are illustrated with particular reference to barocalorics, but are relevant to a broad range of calorics and other disordered crystalline materials.