Cunha-Netto A G, Caparica A A, Tsai Shan-Ho, Dickman Ronald, Landau D P
Instituto de Física, Universidade Federal de Goiás, C.P. 131, 74001-970 Goiânia, Brazil.
Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Nov;78(5 Pt 2):055701. doi: 10.1103/PhysRevE.78.055701. Epub 2008 Nov 3.
Wang-Landau sampling (WLS) of large systems requires dividing the energy range into "windows" and joining the results of simulations in each window. The resulting density of states (and associated thermodynamic functions) is shown to suffer from boundary effects in simulations of lattice polymers and the five-state Potts model. Here, we implement WLS using adaptive windows. Instead of defining fixed energy windows (or windows in the energy-magnetization plane for the Potts model), the boundary positions depend on the set of energy values on which the histogram is flat at a given stage of the simulation. Shifting the windows each time the modification factor f is reduced, we eliminate border effects that arise in simulations using fixed windows. Adaptive windows extend significantly the range of system sizes that may be studied reliably using WLS.
大系统的Wang-Landau抽样（WLS）需要将能量范围划分为“窗口”，并合并每个窗口中的模拟结果。结果表明，在晶格聚合物和五态Potts模型的模拟中，由此产生的态密度（以及相关的热力学函数）受到边界效应的影响。在这里，我们使用自适应窗口来实现WLS。边界位置不是定义固定的能量窗口（或Potts模型能量-磁化平面中的窗口），而是取决于在模拟的给定阶段直方图平坦的能量值集合。每次修改因子f减小时移动窗口，我们消除了使用固定窗口模拟中出现的边界效应。自适应窗口显著扩展了使用WLS可以可靠研究的系统尺寸范围。
