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Now showing items 11-20 of 24
Multi-Scale Simulation Methods of Crosslinked Polymer Networks and Degradation
(North Dakota State University, 2018)
Crosslinked thermoset polymers are used heavily in industrial and consumer products, as well as in infrastructure. When used as a protective coating, a thermoset's net-like structure can act as a barrier to protect an ...
The Nature of Single-Wall Carbon Nanotube-Silicon Heterojunction Solar Cells
(North Dakota State University, 2015)
Since their inception in 2007, nanotube-silicon heterojunction solar cells have experienced rapid improvement due to the diligent work of several research groups. These devices have quickly reached a point where they might ...
Guiding Self-Assembly of Functionalized Nanoparticles by Computational Modeling of Effective Interactions
(North Dakota State University, 2018)
Nanoparticles have attracted much attention because of their unusual physical properties, which allow them to be used in many practical applications. The self-assembly of nanocrystals into crystalline arrays can be facilitated ...
Inspection of Excited State Properties in Defected Carbon Nanotubes from Multiple Exciton Generation to Defect-Defect Interactions
(North Dakota State University, 2020)
Covalent SP3-hybridization defects in single-walled carbon nanotubes (CNTs) have been prevalent in recent experimental and theoretical studies for their interesting photophysical properties. These systems are able to act ...
Computational Modeling of Polymer Crowding: Influence of Solvent Quality and Dimensionality on Conformations
(North Dakota State University, 2018)
The structure and function of polymers in confined environments, e.g., biopolymers in the cytoplasm, are affected by macromolecular crowding. To explore the influence of solvent quality and dimensionality on conformations ...
A Density Functional Theory and Many Body Perturbation Theory Based Study of Photo-Excited Charge Separation in Doped Silicon Nanowires with Gold Leads: Toy Models for the Photovoltaic Effect
(North Dakota State University, 2020)
We analyze a toy model for p-n junction photovoltaic devices by simulating photoexcited state dynamics in silicon nanowires. One nanowire is approximately circular in cross section with a diameter of d = 1.17 nm. The other ...
A Novel Macroscopic Technique to Measure the Nanomechanics of Durable Multifunctional Nanosheets
(North Dakota State University, 2017)
In the recent advancement of nanotechnology, carbon nanotubes (CNTs) have shown promise and potential for a wide variety of applications due to their excellent mechanical, electrical, and optical properties. A network of ...
Fluctuations in the Lattice Boltzmann Method
(North Dakota State University, 2012)
The implementation of fluctuations in the lattice Boltzmann method has made significant progress in the last 10 years. The significance of incorporating noise to all non-conserved degrees of freedom was a significant recent ...
Properties of Reinfoced Carbon Nanotube and Laser-Crystallized Silicon Films
(North Dakota State University, 2016)
Flexible electronics are anticipated to be one of the next technological advancements of electronic devices. The enhanced durability, light-weight nature, and conformity of flexible electronics are desired properties in a ...
Excited State Dynamics in 1D Thermoelectric Materials
(North Dakota State University, 2020)
Here, nonadiabatic computations are used to study the thermoelectric effect and evaluate electron relaxation rates in lead telluride nanowires. κ_e = 1/τ_el is defined as the electron relaxation rate. It is directly ...