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张量重整化群研究三角格子上的硬磁盘模型。

Tensor renormalization group study of hard-disk models on a triangular lattice.

机构信息

Department of Chemical Engineering, Omsk State Technical University, Prospekt Mira 11, Omsk 644050, Russian Federation.

出版信息

Phys Rev E. 2019 Aug;100(2-1):022108. doi: 10.1103/PhysRevE.100.022108.

DOI:10.1103/PhysRevE.100.022108
PMID:31574597
Abstract

High accuracy and performance of the tensor renormalization group (TRG) method have been demonstrated for the model of hard disks on a triangular lattice. We considered a sequence of models with disk diameter ranging from a to 2sqrt[3]a, where a is the lattice constant. Practically, these models are good for approximate description of thermodynamics properties of molecular layers on crystal surfaces. Theoretically, it is interesting to analyze if and how this sequence converges to the continuous model of hard disks. The dependencies of the density and heat capacity on the chemical potential were calculated with TRG and transfer-matrix (TM) methods. We benchmarked accuracy and performance of the TRG method comparing it with TM method and with exact result for the model with nearest-neighbor exclusions (1NN). The TRG method demonstrates good convergence and turns out to be superior over TM with regard to considered models. Critical values of chemical potential (μ_{c}) have been computed for all models. For the model with next-nearest-neighbor exclusions (2NN) the TRG and TM produce consistent results (μ_{c}=1.75587 and μ_{c}=1.75398 correspondingly) that are also close to earlier Monte Carlo estimation by Zhang and Deng. We found that 3NN and 5NN models shows the first-order phase transition, with close values of μ_{c} (μ_{c}=4.4488 for 3NN and 4.4<μ_{c}<4.5 for 5NN). The 4NN model demonstrates continuous yet rapid phase transition with 2.65<μ_{c}<2.7.

摘要

张量重整化群(TRG)方法在三角晶格上的硬磁盘模型中表现出了高精度和高性能。我们考虑了一系列具有从 a 到 2sqrt[3]a 的磁盘直径的模型,其中 a 是晶格常数。实际上,这些模型对于近似描述晶体表面分子层的热力学性质非常有用。从理论上讲,分析这个序列是否以及如何收敛到硬磁盘的连续模型是很有趣的。我们使用 TRG 和转移矩阵(TM)方法计算了密度和热容对化学势的依赖性。我们通过将 TRG 方法与 TM 方法和具有最近邻排斥(1NN)的模型的精确结果进行比较,来基准测试 TRG 方法的准确性和性能。TRG 方法表现出良好的收敛性,并且在考虑的模型方面优于 TM 方法。我们计算了所有模型的化学势临界值(μ_{c})。对于具有次近邻排斥(2NN)的模型,TRG 和 TM 产生了一致的结果(μ_{c}=1.75587 和 μ_{c}=1.75398),这也与 Zhang 和 Deng 的早期蒙特卡罗估计值接近。我们发现 3NN 和 5NN 模型显示出一级相变,具有接近的 μ_{c} 值(μ_{c}=4.4488 对于 3NN 和 4.4<μ_{c}<4.5 对于 5NN)。4NN 模型表现出连续但快速的相变,2.65<μ_{c}<2.7。

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