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Application Of Multi-Scale Computational Techniques To Complex Materials Systems, Mujan N. Seif Jan 2023

Application Of Multi-Scale Computational Techniques To Complex Materials Systems, Mujan N. Seif

Theses and Dissertations--Chemical and Materials Engineering

The applications of computational materials science are ever-increasing, connecting fields far beyond traditional subfields in materials science. This dissertation demonstrates the broad scope of multi-scale computational techniques by investigating multiple unrelated complex material systems, namely scandate thermionic cathodes and the metallic foam component of micrometeoroid and orbital debris (MMOD) shielding. Sc-containing "scandate" cathodes have been widely reported to exhibit superior properties compared to previous thermionic cathodes; however, knowledge of their precise operating mechanism remains elusive. Here, quantum mechanical calculations were utilized to map the phase space of stable, highly-faceted and chemically-complex W nanoparticles, accounting for both finite temperature and chemical …


Cnt Membrane Platforms For Transdermal Drug Delivery And Aptamer Modulated Transport, Tao Chen Jan 2014

Cnt Membrane Platforms For Transdermal Drug Delivery And Aptamer Modulated Transport, Tao Chen

Theses and Dissertations--Chemical and Materials Engineering

CNT membrane platforms are biomimetic polymeric membranes imbedded with carbon nanotubes which show fast fluid flow, electric conductivity, and the ability to be grafted with chemistry. A novel micro-dialysis probe nicotine concentration sampling technique was proposed and proved in vitro, which could greatly improve the efficiency and accuracy of future animal transdermal studies. To enhance the scope of transdermal drug delivery which was limited to passive diffusion of small, potent lipophilic drugs, a wire mesh lateral electroporation design was also proposed which could periodically disrupt the skin barrier and enhance drug flux.

It was shown that AMP binding aptamer …


Cryogenic Machining And Burnishing Of Az31b Magnesium Alloy For Enhanced Surface Integrity And Functional Performance, Zhengwen Pu Jan 2012

Cryogenic Machining And Burnishing Of Az31b Magnesium Alloy For Enhanced Surface Integrity And Functional Performance, Zhengwen Pu

Theses and Dissertations--Mechanical Engineering

Surface integrity of manufactured components has a critical impact on their functional performance. Magnesium alloys are lightweight materials used in the transportation industry and are also emerging as a potential material for biodegradable medical implants. However, the unsatisfactory corrosion performance of Mg alloys limits their application to a great extent. Surface integrity factors, such as grain size, crystallographic orientation and residual stress, have been proved to remarkably influence the functional performance of magnesium alloys, including corrosion resistance, wear resistance and fatigue life.

In this dissertation, the influence of machining conditions, including dry and cryogenic cooling (liquid nitrogen was sprayed to …