Nanoscience and Nanotechnology Commons^™

Thermal Conductivity And Mechanical Properties Of Interlayer-Bonded Graphene Bilayers, Afnan Mostafa

Masters Theses

Graphene, an allotrope of carbon, has demonstrated exceptional mechanical, thermal, electronic, and optical properties. Complementary to such innate properties, structural modification through chemical functionalization or defect engineering can significantly enhance the properties and functionality of graphene and its derivatives. Hence, understanding structure-property relationships in graphene-based metamaterials has garnered much attention in recent years. In this thesis, we present molecular dynamics studies aimed at elucidating structure-property relationships that govern the thermomechanical response of interlayer-bonded graphene bilayers.

First, we present a systematic and thorough analysis of thermal transport in interlayer-bonded twisted bilayer graphene (IB-TBG). We find that the introduction of interlayer C-C …

Nano- And Micro-Structured Temperature-Sensitive Hydrogels For Rapidly Responsive Devices, Qi Lu

Doctoral Dissertations

This thesis aims to extend the understanding and explore the application of temperature-responsive hydrogel systems by integrating microelectromechanical systems (MEMS). Stimuli-responsive hydrogel systems are immensely investigated and applied in numerous fields, and interfacing with micro- and nano-fabrication techniques will open up more possibilities. In Chapter 2, the first biologically relevant, in vitro cell stretching device based on hydrogel surface instability was developed. This dynamic platform is constructed by embedding micro-heater devices under temperature-responsive surface-attached hydrogels. The fast and regional temperature change actuates the stretching and relaxation of the seeded human artery smooth muscle cell (HASMC) via controllable surface creasing instability. …

Extreme Dynamics Of Nanomaterials Under High-Rate Mechanical Stimuli, Wanting Xie

Doctoral Dissertations

Nanomaterials demonstrate novel mechanical properties attributed to the extremely large interfacial area. At quasi-static rates, the interfacial interactions are crucial in mechanical behaviors, however, materials under extreme mechanical stimuli are rarely studied at nanoscale. With an advanced laser-induced projectile impact test, we perform supersonic impact of micro-projectiles on polymer films, multilayer graphene, carbon- based nanocomposites membranes as well as individual micro-fibers, to study the interface interactions in the high-rate regime, and develop a simplified model to characterize the ballistic performance of materials.

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 …

Function And Dissipation In Finite State Automata - From Computing To Intelligence And Back, Natesh Ganesh

Doctoral Dissertations

Society has benefited from the technological revolution and the tremendous growth in computing powered by Moore's law. However, we are fast approaching the ultimate physical limits in terms of both device sizes and the associated energy dissipation. It is important to characterize these limits in a physically grounded and implementation-agnostic manner, in order to capture the fundamental energy dissipation costs associated with performing computing operations with classical information in nano-scale quantum systems. It is also necessary to identify and understand the effect of quantum in-distinguishability, noise, and device variability on these dissipation limits. Identifying these parameters is crucial to designing …

Probing Quantized Excitations And Many-Body Correlations In Transition Metal Dichalcogenides With Optical Spectroscopy, Shao-Yu Chen

Doctoral Dissertations

Layered transition metal dichalcogenides (TMDCs) have attracted great interests in recent years due to their physical properties manifested in different polytypes: Hexagonal(H)-TMDC,which is semiconducting, exhibits strong Coulomb interaction and intriguing valleytronic properties; distorted octahedral(T’)-TMDC,which is semi-metallic, is predicted to exhibit rich nontrivial topological physics. In this dissertation,we employ the polarization-resolved micron-Raman/PL spectroscopy to investigate the optical properties of the atomic layer of several polytypes of TMDC. In the first part for polarization-resolved Raman spectroscopy, we study the lattice vibration of both H and T’-TMDC, providing a thorough understanding of the polymorphism of TMDCs. We demonstrate that Raman spectroscopy is a …

Parallel Algorithms For Time Dependent Density Functional Theory In Real-Space And Real-Time, James Kestyn

Doctoral Dissertations

Density functional theory (DFT) and time dependent density functional theory (TDDFT) have had great success solving for ground state and excited states properties of molecules, solids and nanostructures. However, these problems are particularly hard to scale. Both the size of the discrete system and the number of needed eigenstates increase with the number of electrons. A complete parallel framework for DFT and TDDFT calculations applied to molecules and nanostructures is presented in this dissertation. This includes the development of custom numerical algorithms for eigenvalue problems and linear systems. New functionality in the FEAST eigenvalue solver presents an additional level of …

Kinetics And Dynamics Of Electrophoretic Translocation Of Polyelectrolytes Through Nanopores, Harshwardhan Katkar

Doctoral Dissertations

The idea of sequencing a DNA based on single-file translocation of the DNA through nanopores under the action of an electric field has received much attention over the past two decades due to the societal need for low cost and high-throughput sequencing. However, due to the high speed of translocation, interrogating individual bases with an acceptable signal to noise ratio as they traverse the pore has been a major problem. Experimental facts on this phenomenon are rich and the associated phenomenology is yet to be fully understood. This thesis focuses on understanding the underlying principles of polymer translocation, with an …

Morphological And Material Effects In Van Der Waals Interactions, Jaime C. Hopkins

Doctoral Dissertations

Van der Waals (vdW) interactions influence a variety of mesoscale phenomena, such as surface adhesion, friction, and colloid stability, and play increasingly important roles as science seeks to design systems on increasingly smaller length scales. Using the full Lifshitz continuum formulation, this thesis investigates the effects of system materials, shapes, and configurations and presents open-source software to accurately calculate vdW interactions. In the Lifshitz formulation, the microscopic composition of a material is represented by its bulk dielectric response. Small changes in a dielectric response can result in substantial variations in the strength of vdW interactions. However, the relationship between these …