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Physical Sciences and Mathematics Commons

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Materials Science and Engineering

Legacy Theses & Dissertations (2009 - 2024)

Molecular Dynamics

Publication Year

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Full-Text Articles in Physical Sciences and Mathematics

Computational Optimization And Characterization Of Molecularly Imprinted Polymers, Jacob Jordan Terracina Jan 2017

Computational Optimization And Characterization Of Molecularly Imprinted Polymers, Jacob Jordan Terracina

Legacy Theses & Dissertations (2009 - 2024)

Molecularly imprinted polymers (MIPs) are a class of materials containing sites capable of selectively binding to the imprinted target molecule. Computational chemistry techniques were used to study the effect of different fabrication parameters (the monomer-to-target ratios, pre-polymerization solvent, temperature, and pH) on the formation of the MIP binding sites. Imprinted binding sites were built in silico for the purposes of better characterizing the receptor – ligand interactions. Chiefly, the sites were characterized with respect to their selectivities and the heterogeneity between sites.


Experimental And Theoretical Analysis Of Strain Engineered Aluminium Nitride On Silicon For High Quality Aluminium(X)Indium(Y)Gallium(1-X-Y)Nitride Epitaxy, Mihir Hemant Tungare Jan 2012

Experimental And Theoretical Analysis Of Strain Engineered Aluminium Nitride On Silicon For High Quality Aluminium(X)Indium(Y)Gallium(1-X-Y)Nitride Epitaxy, Mihir Hemant Tungare

Legacy Theses & Dissertations (2009 - 2024)

III-Nitrides on Si are of great technological importance due to the availability of large area, epi ready Si substrates and the ability to heterointegrate with mature silicon micro and nanoelectronics. The major roadblock with realizing this is the large difference in thermal expansion coefficients and lattice constants between the two material systems. A novel technique developed in our research lab shows the potential of simultaneous and substantial reduction in dislocation and crack density in GaN on Si (111). Research undertaken in the current doctoral dissertation, validates the superior GaN quality on Si obtained using our technique and determines the factors …