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Full-Text Articles in Physics
Effects Of Energetic Irradiation On Materials And Devices Based On Graphene And Topological Insulators, Isaac Childres
Effects Of Energetic Irradiation On Materials And Devices Based On Graphene And Topological Insulators, Isaac Childres
Open Access Dissertations
This report focuses on the optical and electronic properties of graphene and topological insulators and how these Dirac fermion systems interact with energetic irradiation. We first present data exploring the effects of electron-beam and oxygen plasma induced disorder on the electronic properties and Raman spectra of graphene. These initial investigations were important for relating Raman peak intensities and weak localization features to each other and to an average disorder length in graphene, LD. ^ We then integrate gate-effect measurements into the Raman spectroscopy study to fully explore the relationships between carrier density, disorder and Raman spectrum signatures. We …
Building Predictive Chemistry Models, Christopher Browne, Nicolas Onofrio, Alejandro Strachan
Building Predictive Chemistry Models, Christopher Browne, Nicolas Onofrio, Alejandro Strachan
The Summer Undergraduate Research Fellowship (SURF) Symposium
Density Functional Theory (DFT) simulations allow for sophisticated modeling of chemical interactions, but the extreme computational cost makes it inviable for large scale applications. Molecular dynamics models, specifically ReaxFF, can model much larger simulations with greater speed, but with lesser accuracy. The accuracy of ReaxFF can be improved by comparing predictions of both methods and tuning ReaxFF’s parameters. Molecular capabilities of ReaxFF were gauged by simulating copper complexes in water over a 200 ps range, and comparing energy predictions against ReaxFF. To gauge solid state capabilities, volumetric strain was applied to simulated copper bulk and the strain response functions used …
Nickel Aluminum Shape Memory Alloys Via Molecular Dynamics, Keith Ryan Morrison
Nickel Aluminum Shape Memory Alloys Via Molecular Dynamics, Keith Ryan Morrison
Open Access Theses
Shape memory materials are an important class of active materials with a wide range of applications in the aerospace, biomedical, and automobile industries. These materials exhibit the two unique properties of shape memory and superelasticity. Shape memory is the ability to recover its original shape by applying heat after undergoing large deformations. Superelasticity is the ability to undergo large, reversible deformations (up to 10%) that revert back when the load is removed. These special properties originate from a reversible, diffusionless solid-solid phase transformation that occurs between a high temperature austenite phase and a low temperature martensite phase. The development of …