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Atomic interactions between metallic tips and surfaces in NC-AFM
, Article Journal of Physics D: Applied Physics ; Volume 48, Issue 12 , February , 2015 ; 00223727 (ISSN) ; Sharif University of Technology
Institute of Physics Publishing
2015
Abstract
In this paper, the atomic-scale interactions between metallic tips and samples in noncontact atomic force microscopy (NC-AFM) are studied using molecular dynamics simulations. The effects of the tip and sample materials, the surface plane direction and the lateral position of the tip with respect to the sample, on the interaction force and the dissipated energy, are investigated. The simulations conducted demonstrate that, generally, we can classify the possible outcomes for the dynamics due to the tip-surface interactions into four major categories. The first category includes all cases in which there are no considerable instabilities in tip-surface interactions, leading to negligible...
The effect of rippled graphene sheet roughness on the adhesive characteristics of a collagen-graphene system
, Article International Journal of Adhesion and Adhesives ; Volume 64 , 2016 , Pages 9-14 ; 01437496 (ISSN) ; Shamloo, A ; Sharif University of Technology
Elsevier Ltd
Abstract
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...
Chitosan interphase around nanodiamond: Insight from equilibrium molecular dynamics
, Article Diamond and Related Materials ; Volume 104 , 2020 ; Shojaei, A ; Sharif University of Technology
Elsevier Ltd
2020
Abstract
In the context of nanodiamond/chitosan (ND/CS) nanocomposites and utilizing atomistic molecular dynamics, the interaction mechanism of adsorbed CS layer around a model ND has been investigated at three level of hydration: in bulk of water, water as a droplet, and completely dry condition. The effect of amination and carboxylation of ND has been studied. To ensure that the comparison of these model systems is meaningful (energetically and geometrically), the CS interphases around NDs were characterized through holistic concentration profiles and density distribution maps. Our results revealed that in a completely dry condition or hydrated by a molecularly small droplet, both of the...