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The Rigid Unit Mode model: review of ideas and applications.
Reports on Progress in Physics ( IF 18.1 ) Pub Date : 2023-03-27 , DOI: 10.1088/1361-6633/acc7b7
Lei Tan 1 , Volker Heine 2 , Gong Li 3 , Martin T Dove 4
Affiliation  

We review a set of ideas concerning the flexibility of network materials, broadly defined as structures in which atoms form small polyhedral units that are connected at corners. One clear example is represented by the family of silica polymorphs, with structures composed of corner-lined SiO4tetrahedra. TheRigid Unit Mode(RUM) is defined as any normal mode in which the structural polyhedra can translate and/or rotate without distortion, and since forces associated with changing the size and shape of the polyhedra are much stronger than those associated with rotations of two polyhedra around a shared vertex, the RUMs might be expected to have low frequencies compared to all other phonon modes. In this paper we discuss the flexibility of network structures, and how RUMs can arise in such structures, both in principle and in a number of specific examples of real systems. We also discuss applications of the RUM model, particularly for our understanding of phenomena such as displacive phase transitions and negative thermal expansion in network materials. .

中文翻译:

刚性单元模式模型:思想和应用回顾。

我们回顾了一系列关于网络材料灵活性的想法,网络材料被广泛定义为原子形成在角落连接的小多面体单元的结构。一个明显的例子是二氧化硅多晶型物家族,其结构由角线 SiO4 四面体组成。刚性单元模式 (RUM) 被定义为结构多面体可以平移和/或旋转而不变形的任何正常模式,并且由于与改变多面体的大小和形状相关的力比与两个多面体的旋转相关的力强得多在共享顶点周围,与所有其他声子模式相比,RUM 可能预期具有低频率。在本文中,我们讨论了网络结构的灵活性,以及​​ RUM 如何在此类结构中出现,无论是在原则上还是在实际系统的一些具体例子中。我们还讨论了 RUM 模型的应用,特别是为了理解网络材料中的位移相变和负热膨胀等现象。.
更新日期:2023-03-27
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