Open Access. Powered by Scholars. Published by Universities.®
Physical Sciences and Mathematics Commons™
Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 2 of 2
Full-Text Articles in Physical Sciences and Mathematics
A Computational Kinetics Model To Quantify Radiation Induced Chemical Products Of Atmospheric Gas Mixtures, Patrick Ables
A Computational Kinetics Model To Quantify Radiation Induced Chemical Products Of Atmospheric Gas Mixtures, Patrick Ables
Dissertations
This research is focused on the development of a computational model which will calculate the effects of radiation on the chemical composition of the atmosphere. The approach utilizes the open-source chemical kinetics toolkit Cantera to model the creation of radiation-induced reactant species within irradiated air mixtures. Chemical solutions are iteratively stepped toward chemical equilibrium within a ‘constantly stirred’ (homogeneous) reactor of fixed volume. Three different radiation chemistry models are implemented in several different pulsed and continuous radiation schemes. The first model includes the mechanisms and rates of a pulse radiation model from the literature to test the validity of the …
Origin And Structure Of The First Sharp Diffraction Peak Of Amorphous Solids, Devilal Dahal
Origin And Structure Of The First Sharp Diffraction Peak Of Amorphous Solids, Devilal Dahal
Dissertations
Several explanations have been reported in the literature about the origin of extended-range oscillations (EROs) in the atomic pair-correlation function of amorphous materials. Although the radial ordering beyond the short-range order of about 5 Å has been extensively studied in amorphous materials, the exact nature of the radial ordering beyond a nanometer is still not resolved. This dissertation address this problem and explains the nature of the EROs by using high-quality models of amorphous silicon (a-Si) obtained from Monte Carlo and Molecular Dynamics simulations. The extended-range ordering in a-Si is examined through radial oscillations on the length …