一种改进的无序格直方图方法
A Modified Histogram Method for Disordered Lattices
摘要:
本文提出了一种新的方法,将直方图方法推广到任意类型的无序点阵。蒙特卡罗单直方图和多直方图方法的开发,以获得最大的只有几个模拟,但仅限于模拟相同的晶格配置。这里介绍的方法扩展的直方图方法,允许从各种无序的晶格配置的数据被最佳地结合在一个单一的加权平均结果。这种方法适用于一个简单的伊辛类模型的弛豫铁电钙钛矿固溶体$BaTiO_3$ - $Bi(Zn_{1/2}Ti_{1/2})O_3$(BT-BZT),其中无序起着关键作用。
英文摘要:
A new method is developed to extend the histogram method to lattices with any type of disorder. The Monte Carlo single- and multiple-histogram methods were developed to get the most out of only a few simulations, but are restricted to simulations with identical lattice configurations. The method introduced here expands on the histogram method to allow data from various disordered lattice configurations to be optimally combined in a single weighted average result. This method is applied to a simple Ising-like model of the relaxor ferroelectric perovskite solid solution $BaTiO_3$ - $Bi(Zn_{1/2}Ti_{1/2})O_3$ (BT-BZT), in which disorder plays a pivotal role.
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