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Structure-property relationships of two crystal structures were investigated using computational methodologies in two different length scales:electronic and atomistic length scales. Electronic structure calculations were performed using density functional theory (DFT) with generalized gradient approximation (GGA), GGA+U (U is “on-site” electronelectron repulsion) and hybrid functional forms. Atomistic calculations were performed utilizing the semi-empirical interatomic formulation, Modified Embedded Atom Method (MEAM). Classical molecular dynamics simulations were performed on the atomistic length scale in order to investigate thermal properties. In the first study, structural, elastic and thermal properties of cementite (Fe3C) were investigated using a Modified Embedded Atom Method (MEAM) potential for iron-carbon (Fe-C) alloys. Previously developed Fe and C single element potentials were used to develop a Fe-C alloy MEAM potential, using a statistically-based optimization scheme to reproduce structural and elastic properties of cementite, the interstitial energies of C in bcc Fe as well as heat of formation of Fe-C alloys in L12 and B1 structures. The stability of cementite at high temperatures was investigated by molecular dynamics simulations. The nine single crystal elastic constants for cementite were obtained by computing total energies for strained cells. Polycrystalline elastic moduli for cementite were calculated from the single crystal elastic constants of cementite. The formation energies of (001), (010), and (100) surfaces of cementite were also calculated. The melting temperature and the variation of both the specific heat and volume with respect to temperature were investigated by performing a two-phase (solid/liquid) molecular dynamics simulation of cementite. The predictions of the potential are in good agreement with first-principles calculations and experiments. In the second study the site occupancy and magnetic properties of Zn-Sn substituted M-type Sr-hexaferrite (SrFe12-x(Zn0.5Sn0.5)xO19 with x = 1) were investigated using firstprinciples total-energy calculations. We find that in the ground-state configuration Zn-Sn ions preferentially occupy 4f1 and 4f2 sites unlike the model previously suggested by Ghasemi et al. where Zn-Sn ions occupy 2b and 4f2 sites. Our model predicts a rapid increase in saturation magnetic moment (Ms) as well as decrease in magnetic anisotropy compared to the pure M-type Sr-hexaferrite, which is consistent with experimental observations.

Flight data recorders (FDRs) play a critical role in determining root causes of aviation mishaps. Some aircraft record limited amounts of information during flight (e.g. T-1A Jayhawk), while others have no FDR on board (B-52 Stratofortress). This study explores the use of image-based flight data acquisition to overcome a lack of available digitally-recorded FDR data. In this work, images of cockpit gauges were unwrapped vertically, and 2-D cross-correlation was performed on each image of the unwrapped gauge versus a template of the unwrapped gauge needle. Points of high correlation between the unwrapped gauge and needle template were used to locate the gauge needle, and interpolation and extrapolation were performed (based on locations of gauge tick marks) to quantify the value to which the gauge needle pointed. Results suggest that image-based flight data acquisition could provide key support to mishap investigations when aircraft lack sufficient FDR data.

This thesis comprises of two parts. In the first, we improve the performance of existing hybrid FSO/RF communication systems. Conventional hybrid RF and optical wireless communication systems make use of independent and parallel Free Space Optical (FSO) and RF channels to achieve higher reliability than individual channels. This thesis is based on the idea that true hybridization can be accomplished only when both channels collaboratively compensate the shortcomings of each other and thereby, improve the performance of the system as a whole. We believe that optimization on the combined channel capacities instead of the individual channel capacities of the FSO and RF channels can increase the system availability by a large amount. Using analysis and simulation, we show that, by using Hybrid Channel Codes, we can obtain more than two orders of magnitude improvement in bit error rates and many-fold increase in system availability over the currently existing best systems. Simulations also show that the average throughput obtained using the new system is over 35% better when compared to the present systems. The goodput is much higher because of the elimination of data repetition. Also by avoiding data duplication, we preserve to a great extent the crucial security benefits of FSO communications. The second half of the thesis deals with magnetic recording systems. Due to the insatiable and ever-increasing needs of data storage, novel techniques have to be developed to improve the capacity of magnetic recording channels. These capacity requirements translate to improving storage densities and using higher recording rates. For these channels, improvements even in the order of a tenths of a dB have a big impact on the storage densities of the recording device. Recently, LDPC codes have been constructed to achieve the independent and uniformly distributed (i.u.d.) capacity of partial response (PR) channels. The “guess algorithm” has been proposed for memoryless channels, to improve the performance of iterative belief propagation decoding to that of Maximum Likelihood (ML) decoding. In the second part of this thesis, the “guess algorithm” is extended to channels with memory. It is shown using asymptotic density evolution analysis that the gains obtained using this algorithm on these channels are more than those obtained over memoryless channels. The “guess algorithm” is further extended to magnetic recording channels which are characterized by ISI and additive white gaussian noise (AWGN). Simulations show that gains of upto one dB are possible on magnetic recording channels.

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FePt films with the L10 phase have potential applications for magnetic recording and permanent magnets due to its high magnetocrystalline anisotropy energy density. Heat treatment of n multilayer films is one approach to form the L10 FePt phase through a solid state reaction. This thesis has studied the diffusion and reaction of n multilayer films to form the L10 FePt phase and has used this understanding to construct exchange spring magnets. The process-structure-property relations of n multilayer films were systematically examined. The transmission electron microscopy (TEM) study of the annealed multilayers indicates that the Pt layer grows at the expense of Fe during annealing, forming a disordered fcc FePt phase by the interdiffusion of Fe into Pt. This thickening of the fcc Pt layer can be attributed to the higher solubilities of Fe into fcc Pt, as compared to the converse. For the range of film thickness studied, a continuous L10 FePt product layer that then thickens with further annealing is not found. Instead, the initial L10 FePt grains are distributed mainly on the grain boundaries within the fcc FePt layer and at the Fe/Pt interfaces and further transformation of the sample to the ordered L10 FePt phase proceeds coupled with the growth of the initial L10 FePt grains. A comprehensive study of annealed n films is provided concerning the phase fraction, grain size, nucleation/grain density, interdiffusivity, long-range order parameter, and texture, as well as magnetic properties. A method based on hollow cone dark field TEM is introduced to measure the volume fraction, grain size, and density of ordered L10 FePt phase grains in the annealed films, and low-angle X-ray diffraction is used to measure the effective Fe-Pt interdiffusivity. The process-structure-properties relations of two groups of samples with varying substrate temperature and periodicity are reported. The results demonstrate that the processing parameters (substrate temperature, periodicity) have a strong influence on the structure (effective interdiffusivity, L10 phase volume fraction, grain size, and density) and magnetic properties. The correlation of these parameters suggests that the annealed n multilayer films have limited nuclei, and the subsequent growth of L10 phase is very important to the extent of ordered phase formed. A correlation between the grain size of fcc FePt phase, grain size of the L10 FePt phase, the L10 FePt phase fraction, and magnetic properties strongly suggests that the phase transformation of fccL10 is highly dependent on the grain size of the parent fcc FePt phase. A selective phase growth model is proposed to explain the phenomena observed. An investigation of the influence of total film thickness on the phase formation of the L10 FePt phase in n multilayer films and a comparison of this to that of FePt co-deposited alloy films is also conducted. A general trend of greater L10 phase formation in thicker films was observed in both types of films. It was further found that the thickness dependence of the structure and of the magnetic properties in n multilayer films is much stronger than that in FePt alloy films. This is related to the greater chemical energy contained in n films than FePt alloy films, which is helpful for the L10 FePt phase growth. However, the initial nucleation temperature of n multilayers and co-deposited alloy films was found to be similar. An investigation of L10 FePt-based exchange spring magnets is presented based on our understanding of the L10 formation in n multilayer films. It is known that exchange coupling is an interfacial magnetic interaction and it was experimentally shown that this interaction is limited to within several nanometers of the interface. A higher degree of order of the hard phase is shown to increase the length scale slightly. Two approaches can be used to construct the magnets. For samples with composition close to stoichiometric L10 FePt, the achievement of higher energy product is limited by the average saturation magnetization, and therefore, a lower annealing temperature is beneficial to increase the energy product, allowing a larger fraction of disordered phase. For samples with higher Fe concentration, the (BH)max is limited by the low coercivity of annealed sample, and a higher annealing temperature is beneficial to increase the energy product.

Nightjars are a group of nocturnal and aerial insectivorous birds that have experienced long-term decline likely driven primarily by habitat loss and declines in prey populations. Eastern Whip-poor-will (Antrostomus vociferus) and Chuck-will’s-widow (Antrostomus carolinensis), two nightjar species native to Illinois, declined 69% and 58% since 1966, respectively. Although previous survey efforts have documented presence of Chuck-will’s-widow and Whip-poor-will, their current distribution in the state is not well known. Using Autonomous Recording Units (ARUs) deployed in a uniform, systematic grid, I surveyed 142 locations from May – July 2022 on public and private lands across the southern eleven counties of Illinois to assess Whip-poor-will and Chuck-will’s-widow distribution and estimate species occupancy. I estimated species relationships with proportion of landcover types, forest patch configuration, and proximity to other landcover types. Additionally, I quantified disturbances from the past 15 years to estimate species relationships to the severity and duration of disturbances. I deployed ARUs for 710 survey days collecting 170,400 minutes or 3,000 hours of recordings. Acoustic bird call identification software, BirdNet, was highly accurate at detecting focal species and greatly reduced the time spent manually reviewing acoustic data. BirdNet identified 43,922 calls of Whip-poor-will and 31,447 calls of Chuck-will’s-widow. I detected Whip-poor-will on 78 surveys with 100% accuracy and Chuck-will’s-widow on 75 surveys with 76% accuracy. Whip-poor-will were positively associated with forest patches with large core areas that neighbored pastures. Additionally, Whip-poor-will were likely to occupy landscapes that had experienced low to moderate disturbance within the previous 15 years. Covariates used to model Chuck-will’s-widow occupancy explained little variation in detection or occupancy and there were no significant relationships with any covariate. However, examining non-significant trends suggest similar relationships as Whip-poor-will in the area. Results highlight the efficiency of passive acoustic monitoring for these birds and the need for further investigation into Chuck-will’s-widow species-environmental relationships. In southern Illinois, Chuck-will’s-widow populations appears to be consistent with previous estimates from the 1990s while Whip-poor-will follow the broader trend of decline.

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