小群簇下特异性粘附界面力学性质的统计分析

针对经由特异性分子间发生化学作用，生成粘附分子键群簇而形成的可变形介质间的特异性粘附问题，蒙特卡洛仿真作为有效的研究手段被广泛用来随机模拟界面特异性粘附行为，但当粘附系统分子键数目较小时，粘附系统具有明显的热扰动性质，此时受限于统计方法，现有统计方法难以定量地描述系统的特异性粘附行为。为此，本文基于统计热力学理论，提出了积分统计方法，结果表明无论在稳态还是动态下，基于所提出的积分法统计结果与数值求解结果一致，尤其是针对系统分子键数目较少，粘附系统具有强热扰动性质的情况时，该方法依旧可以精确地反映系统特异性粘附行为。

Statistic Analysis of the Mechanical Properties of the Specific Adhesion via Small Molecular Bond Clusters

For the adhesion problem between deformable mediums through molecular bond clusters which is mediated by the specific molecules interaction, many existing studies have investigated such specific adhesion behavior mainly based on Monte Carlo Simulation. However, for few molecular bonds in adhesion system, the thermal fluctuation significantly affects the adhesion behavior. As a resutl of such strong fluctuation, the conventional statistical approach can’t accurately capture the behavior of adhesion system. Therefore, in this article, we developed a new statistical method of integral evaluation based on thermal dymanics. Based on our model, statistical results of this method agree very well with numercial solutions of master equation both for steady and dymanic states. Especially, in the case that strong thermal fluctuation donimates the adhesion system with few molecular bonds, the statistical method of integral evaluation still is valid in describing the specific adheison behavior.