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- Type of Document: Ph.D. Dissertation
- Language: Farsi
- Document No: 56226 (48)
- University: Sharif University of Technology
- Department: Institute for Nanoscience and Nanotechnology
- Advisor(s): Nejat Pishkenari, Hossein; Ejtehadi, Mohammad Reza
- Abstract:
- In the present thesis, the movement of the clusters of fullerenes and nanocars are separately investigated on graphene surface, using molecular dynamics simulations. Investigating the fullerene clusters with different populations, it is concluded that, as the number of molecules inside the cluster increases, the displacement range of the motion decreases. In fact, some parts of the energy of the fullerene cluster are wasted through the intermolecular interactions, and as a result, the mobility of the cluster diminishes. During the investigation of the three-dimensional structures of fullerene, the wetting property of the clusters is revealed relative to the graphene surface. The decrease of the mobility of molecular clusters due to the increase of cluster population is also observed in the swarm movement of nanocars. In the simulation of nanocars clusters, preferred configurations are observed for the relative orientation of two nanocars. These orientations remain stable at 300 K and lower temperatures, while they can change to eachother as the temperature increases to 400 K. Meanwhile, the thermal energy provided at the temperature of 600 K causes the separation of two nanocars. By simulating the clusters with more than two nanocars, the mentioned stable configurations are also observed. Stable configurations are also confirmed in the presented coarse-grained model. In this model, four fullerene wheels are replaced by four particles and we consider one equivalent particle for the chassis. The stable configurations of nanocars are used to design nanostructures such as molecular rings and chains. Since these nanostructures are thermally stable up to a certain temperature, they have potential applications for designing the nanoscale transportation systems. The purpose of the synthesis of nanocars is to perform manipulations at nano-scale on the surface. As a result, directing the individual and collective movement of nanocars is of particular importance. Finally, we present a method for directing the molecular motions by applying strain gradients on the substrate
- Keywords:
- Collective Motion ; Nanocar ; Molecular Dynamic Modeling ; Self Assembly ; Nanotransportation
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