标题： 使用蒙特卡罗方法对两个墙壁之间的单层膜进行模拟 显示英文标题

标题： Simulations of a single membrane between two walls using a Monte Carlo method

摘要： 定量的双层相互作用理论对于解释X射线散射数据以及阐明生物相关系统中的这些相互作用是必不可少的。 为此，进行了蒙特卡洛模拟以获得压力P和位置涨落sigma。 开发了一种新方法，称为傅里叶蒙特卡洛（FMC），该方法基于位移场的傅里叶表示，并展示了其相对于标准方法的优势。 FMC方法被用于模拟两个硬壁之间的单个膜，这模拟了具有非谐波相互作用的脂质双层膜堆栈。 展示了有限尺寸标度并用于获得大连续膜极限下P和sigma的准确值。 结果与微扰理论近似进行了比较，在非谐波情况下发现了数值差异。 因此，应使用FMC方法而不是近似方法来建立模型势能与可观测量之间的联系，以及用于纯粹的建模目的。 显示英文摘要

摘要： Quantitative theory of interbilayer interactions is essential to interpret x-ray scattering data and to elucidate these interactions for biologically relevant systems. For this purpose Monte Carlo simulations have been performed to obtain pressure P and positional fluctuations sigma. A new method, called Fourier Monte-Carlo (FMC), that is based on a Fourier representation of the displacement field, is developed and its superiority over the standard method is demonstrated. The FMC method is applied to simulating a single membrane between two hard walls, which models a stack of lipid bilayer membranes with non-harmonic interactions. Finite size scaling is demonstrated and used to obtain accurate values for P and sigma in the limit of a large continuous membrane. The results are compared with perturbation theory approximations, and numerical differences are found in the non-harmonic case. Therefore, the FMC method, rather than the approximations, should be used for establishing the connection between model potentials and observable quantities, as well as for pure modeling purposes.