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New Two-Dimensional Ice Models

机译:新的二维冰模型

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This paper presents a new approach for enumerating all hydrogen bond arrangements of ice-like systems with periodic boundary conditions. It is founded on a topological procedure for the dimensional reduction and a new variant of the transfer matrix method based on small conditional transfer matrices. We consider a couple of new two-dimensional ice models on very unusual lattices. One of them is the twisted square ice model with crossing H-bonds. The other is the digonal-hexagonal model with double H-bonds. In spite of their uncommonness, these models are quite realistic, because from the standpoint of combinatorics and topology they are equivalent to the layers of usual hexagonal ice Ih under periodic boundary conditions in one of the directions. The exact proton configuration statistics for a number of 2D-expanded unit cells of hexagonal ice Ih and the residual entropy of the new ice models in the large system limit are presented.
机译:本文提出了一种新方法,用于枚举具有周期性边界条件的类冰系统的所有氢键排列。它基于用于降维的拓扑过程和基于小条件转移矩阵的转移矩阵方法的新变体。我们考虑了几个非常不寻常的格子上的新的二维冰模型。其中之一是带有交叉氢键的扭曲方冰模型。另一个是带有双H键的对角六边形模型。尽管它们不常见,但是这些模型还是很现实的,因为从组合和拓扑学的观点来看,它们在一个方向上的周期性边界条件下等效于普通六角形冰层Ih。给出了六角形冰Ih的多个二维扩展晶胞的精确质子构型统计数据,以及在大系统范围内新冰模型的剩余熵。

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