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Articles 1 - 3 of 3
Full-Text Articles in Physics
Transport Properties Of Binary And Doped Diborides, Alin Babu Niraula
Transport Properties Of Binary And Doped Diborides, Alin Babu Niraula
MSU Graduate Theses
A systematic computational study to evaluate the electronic structures and transport properties including resistivity, thermal conductivity of several binary diborides (ZrB2 , TiB2 , TaB2 , CrB2 , and AlB2 ) and the ZrB2 alloyed with Cr, Al, Ti and Ta has been performed. Due to the p-d hybridization, the characteristic pseudo gap at the Fermi energy level (Ef) from the density of states (DOS) is presence in the DOS of both ZrB2 and TiB2 in contrast to those of TaB2 and CrB2 with only a partial occupation on the anti-bonding states. AlB2 is also similarly shown the presence of …
Modeling Of Argon Bombardment And Densification Of Low Temperature Organic Precursors Using Reactive Md Simulations And Machine Learning, Kwabena Asante-Boahen
Modeling Of Argon Bombardment And Densification Of Low Temperature Organic Precursors Using Reactive Md Simulations And Machine Learning, Kwabena Asante-Boahen
MSU Graduate Theses
In this study, an important aspect of the synthesis process for a-BxC:Hy was systematically modeled by utilizing the Reactive Molecular Dynamics (MD) in modeling the argon bombardment from the orthocarborane molecules as the precursor. The MD simulations are used to assess the dynamics associated with the free radicals that result from the ion bombardment. By applying the Data Mining/Machine Learning analysis into the datasets generated from the large reactive MD simulations, I was able to identify and quality the kinetics of these radicals. Overall, this approach allows for a better understanding of the overall mechanism at the atomistic level of …
Characterization Of Lamellar Liquid Crystal Emulsifiers In Topical Creams Containing A Novel Solvent, Melinda Joanna Sutton
Characterization Of Lamellar Liquid Crystal Emulsifiers In Topical Creams Containing A Novel Solvent, Melinda Joanna Sutton
MSU Graduate Theses
Diethylene glycol monoethyl ether (DEGEE) is a promising solvent component in topical cream formulations due to its superior solubilizing abilities with certain active pharmaceutical ingredients. One of the goals of this study is to characterize the effects of pH on the physical and chemical stabilities of topical cream formulations containing particularly high concentrations of DEGEE by characterizing a full topical pH profile of 3.5 – 9.0. The second goal is to evaluate the presence, amount, and characteristics of lyotropic liquid crystals (LLCs), molecularly structured in a lamellar phase, in a model cream emulsion utilizing polarized light microscopy (PLM). The presence …