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Molecular Dynamics Simulation of Nanoscale Effects in Nanomanipulation

Mahboobi, Hanif | 2009

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  1. Type of Document: Ph.D. Dissertation
  2. Language: English
  3. Document No: 40021 (08)
  4. University: Sharif University of Technology
  5. Department: Mechanical Engineering
  6. Advisor(s): Meghdari, Ali
  7. Abstract:
  8. Metallic clusters are among the best candidates that may be utilized as building blocks for constructing nanostructures. Despite their great potential, a variety of questions arises about their suitability as building blocks at the nanoscale level. One of the key factors in the assembly of nanoclusters is the precise positioning that is required by a manipulation system. The response of clusters, which are subjected to this process, is of great importance. Currently, the size of clusters used as building blocks is shrinking down to a few nanometers. In such cases, the particle nature of matter plays an important role in manipulator/cluster/substrate interactions. Having a deeper insight into the aforementioned nanoscale interactions is crucial for prediction and understanding of the behavior of nanoclusters during the positioning process. The present dissertation is aimed to study the mentioned simulations in order to gain a deeper insight to the related phenomena, as well as an effective tool for examining the effect of the conditions involved. Along this line, the core objective of this research is two folded: 1) Applying molecular dynamics to model nanoscale physical interactions in fine nanoparticle manipulations, and 2) Developing manipulation routines for nanoparticles. The simulations are divided into two main categories: 2D (planar) and 3D. Each category includes some specific subcategories. The former comprises: pushing by virtual force, simple pushing by tip, effect of a double-layer substrate, nanopositioning and nanoassembly. The latter includes the same schemes in addition to the role of stepped surfaces and with the exclusion of the first subcategory. In each simulation set, effects of working and environmental conditions on the success of nanomanipulation process are studied. In addition to the qualitative inspection of the results, some criteria which represent the particle deformation substrate abrasion and positioning error are utilized as evaluation tools for each test. The conditions subjected to change in the tests include particle's and substrate's material, temperature, pushing velocity, tip form, surface steps, particle size, existence of a lubricant layer and positioning strategy. The knowledge gained through this dissertation is highly beneficial for further experiments in order to be able to plan the conditions and routines which guarantee more effective nanomanipulation.
  9. Keywords:
  10. Nanoparticles ; Molecular Dynamics ; Nanomanipulation ; Nanopositioning ; Nanoassembly

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