▎ 摘 要
A great amount of effort has been made in order to reach a more precise understanding of the adhesion phenomenon that happens as a vital component of several biological systems. Therefore, a firm understanding of the important factors that influence this phenomenon is of special importance in triggering the adhesive characteristics of different biological, bio-inspired and synthetic materials in fields such as tissue engineering. In this study the adhesive characteristics of a multi-material system consisting of the frequently used synthetic material, graphene, in the form of armchair-configuration sheets, and an important biological filament which is type 1 Collagen consisting of 3 alpha helices, has been studied in detail. The main emphasis of this study is placed on understanding the effects of the roughness characteristics of the inorganic elements which are the graphene sheets on the overall adhesive features of the system which are quantified within the framework of two main criteria: adhesion energy and peeling force. At first, the methodology used in order to obtain graphene sheets with various roughness values is described in detail. The abovementioned criteria are then evaluated through Molecular Dynamics (MD) modeling of the system in the NAMD simulation software environment and various simulation scenarios are studied. (C) 2015 Elsevier Ltd. All rights reserved.