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Full-Text Articles in Nanoscience and Nanotechnology
Modeling And Simulation Of Driven Nanopatterning Of Bulk-Material And Thin-Film Surfaces, Ashish Kumar
Modeling And Simulation Of Driven Nanopatterning Of Bulk-Material And Thin-Film Surfaces, Ashish Kumar
Doctoral Dissertations
Material nanostructures such as nanowires, quantum dots, and nanorings have a wide variety of applications in electronic and photonic devices among numerous others. Assembling uniformly arranged and consistently sized nanostructure patterns on solid material surfaces is a major challenge for nanotechnology. This dissertation focuses on developing predictive models capable of simulation and analysis of such nanopattern formation on bulk material and strained thin film surfaces. Single-layer atomic clusters (islands) of sizes larger than a critical size on crystalline conducting substrates undergo morphological instabilities when driven by an externally applied electric field or thermal gradient. We have conducted a systematic and …
Transport Of Water And Ions Through Single-Walled Armchair Carbon Nanotubes: A Molecular Dynamics Study, Michelle Patricia Aranha
Transport Of Water And Ions Through Single-Walled Armchair Carbon Nanotubes: A Molecular Dynamics Study, Michelle Patricia Aranha
Doctoral Dissertations
The narrow hydrophobic interior of a carbon nanotube (CNT) poses a barrier to the transport of water and ions, and yet, unexpectedly, numerous experimental and simulation studies have confirmed fast water transport rates comparable to those seen in biological aquaporin channels. These outstanding features of high water permeability and high solute rejection of even dissolved ions that would typically require a lot of energy for separation in commercial processes makes carbon nanotubes an exciting candidate for desalination membranes. Extending ion exclusion beyond simple mechanical sieving by the inclusion of electrostatics via added functionality to the nanotube bears promise to not …
Modeling Of Nanoscale Transport In Mesoporous Membranes, Ashutosh Rathi
Modeling Of Nanoscale Transport In Mesoporous Membranes, Ashutosh Rathi
Doctoral Dissertations
Mesoporous membranes with pore sizes in the range 2-50 nm provide an energy efficient alternative for separation of mixtures such as CO2 from stack effluents and volatile organic compounds (VOC) from air. Transport mechanisms such as capillary condensation, Knudsen diffusion and surface adsorption help in enrichment of a more condensable component based on the bulk mixture thermodynamics, surface chemistry and geometry of the mesopores. Despite the progress in synthesis techniques, design of better mesoporous materials for targeted separations is still a challenge due to the absence of clear design rules. Modeling techniques can be used to quantify the relevant …