The chemical reaction of the first excited electronic state of molecular nitrogen, N₂(A), with ground state atomic oxygen is an important contributor to thermospheric nitric oxide (NO).  The importance is assessed by including this reaction in a one-dimensional photochemical model.  The method is to scale the photoelectron impact ionization rate of molecular nitrogen by a Gaussian centered near 100 km. Large uncertainties remain in the temperature dependence and branching ratios of many reactions important to NO production and loss. Similarly large uncertainties are present in the solar soft x-ray irradiance, known to be the fundamental driver of the low-latitude NO.  To illustrate, it is shown that the equatorial, midday NO density measured by the Student Nitric Oxide Explorer (SNOE) satellite near the Solar Cycle 23 maximum can be recovered by the model to within the 20% measurement uncertainties using two rather different but equally reasonable chemical schemes, each with their own solar soft-xray irradiance parameterizations.  Including the N₂(A) changes the NO production rate by an average of 11%, but the NO density changes by a much larger 44%.  This is explained by tracing the direct, indirect, and catalytic contributions of N₂(A) to NO, finding them to contribute 40%, 33%, and 27% respectively. The contribution of N₂(A) relative to the total NO production and loss is assessed by tracing both back to their origins in the primary photoabsorption and photoelectron impact processes.  The photoelectron impact ionization of N₂ is shown to be the main driver of the midday NO production while the photoelectron impact dissociation of N₂ is the main NO destroyer.  The net photoelectron impact excitation rate of N₂, which is responsible for the N₂(A) production, is larger than the ionization and dissociation rates and thus potentially very important.   Although the conservative assumptions regarding the level-specific NO yield from the N₂(A)+O reaction results in N₂(A) being a somewhat minor contributor, N₂(A) production is found to be the most efficient producer of NO among the thermospheric energy deposition processes. / Ph. D.

Earth's atmosphere is a dynamic region with a complex interplay of energetic inputs, outputs, and transport mechanisms. A complete understanding of the atmosphere and how various fields within it interact is essential for predicting atmospheric shifts relevant for spaceflight, the evolution of Earth's climate, radio communications, and other practical applications. In-situ observations of a critical altitude region within Earth's atmosphere from 100-200 km in altitude, a subset of a larger 90 – 400 km altitude region deemed the "Thermospheric Gap", are required for constraining atmospheric models of wind, temperature, and density perturbations caused by atmospheric tides. Observations within this region that are sufficient to fully reconstruct and understand the evolution of tides therein are nonexistent. Certain missions have sought to fill portions of this observation gap, including Daedalus which was selected as a candidate for the Earth Explorer program by the European Space Agency in 2018. This study focuses on the design and optimization of a two-satellite, highly elliptical satellite constellation to perform in-situ observations and reconstruction of tidal features in the 100-200 km region. The model atmosphere for retrieving sample data is composed of DE3 and DE2 tidal features from the Climatological Model of the Thermosphere (CTMT) and background winds from the Thermosphere-Ionosphere-Electrodynamic General Circulation Model (TIEGCM). BoTorch, a Bayesian Optimization package for Python, is integrated with the Ansys Systems Tool Kit (STK) to model the constellation's propagation and simulated atmospheric sampling. A least squares fitting algorithm is utilized to fit the sampled data to a known tidal function form. Key results include 14 Pareto optimal solutions for the satellite constellation based on a set of 7 objective functions, 3 constellation input parameters, and a sample set of n = 86. Four of these solutions are discussed in more detail. The first two are the best and second-best options on the Pareto front for sampling and reconstruction of the input tidal fields. The third is the best solution for latitudinal tidal fitting coverage. The fourth is a compromise solution that nearly minimizes delta-v expenditure, while sacrificing some quality in tidal fitting and fitting coverage. / Master of Science / Earth's atmosphere, the envelope of gaseous material surrounding the planet from an altitude of 0 km to approximately 10,000 km, is a dynamic system with a diverse set of energy inputs, outputs, and transfer mechanisms. A complete understanding of the atmosphere and how various fields within it interact is essential for predicting atmospheric shifts relevant for spaceflight, the evolution of Earth's climate, radio communications, and other practical applications. The atmosphere life breathes on Earth's surface evolves in physical and chemical properties, such as temperature, pressure, and composition, as distance from Earth increases. In addition, the atmosphere varies temporally, with shifts in its properties occurring on several timescales, some as short as a few minutes and some on the order of the age of the planet itself. This thesis project seeks to study the optimization of a satellite system to further understand an important source of atmospheric variability – atmospheric tides. Just as the forces of gravity from the moon and sun cause tides in the oceans, the Earth's rotation and the periodic absorption of heat into the atmosphere from the sun cause atmospheric tides. A model atmosphere with a few tides and a background wind is generated to perform simulated tidal sampling. The latitude, longitude, and altitude coordinates of the satellites as they propagate through the atmosphere are used to model samples of the northward and southward atmospheric winds and determine how well the constellation does at regenerating the input tidal data. The integration of several software tools and a Bayesian Optimization algorithm automate the process of finding a range of options for the constellation to best perform the tidal fitting, minimize satellite fuel consumption, and cover as many latitude bands of the atmosphere as possible.

This dissertation comprises multiple studies surrounding the middle atmosphere's chemistry, composition, and dynamics. The middle atmosphere refers to the region from ~ 10 km to ~ 100 km and consists of the Stratosphere, Mesosphere, and Lower Thermosphere. The Stratosphere, Mesosphere, and Thermosphere are bounded by pauses where the strongest changes in chemical composition, movement, density, and thermal behavior take place. While several studies in the past have investigated the chemical composition of the middle atmosphere and quantified the distribution of various species from the stratosphere to the lower thermosphere, seasonal variations and redistribution of species resulting from transport events make it important to continuously monitor the middle atmosphere. Dynamic events such as Sudden Stratospheric Warmings (SSW) impact the temperature gradient and the zonal mean wind pattern in the stratopause. Descent events triggered by SSWs result in enhanced transport of species from the lower thermosphere to the stratosphere. Temperature increments during SSWs have an important impact on Polar Stratospheric Clouds (PSCs), resulting in Antarctic ozone enhancement and a smaller ozone hole. The middle atmosphere is, thus, home to a diverse range of dynamics and chemistry, making it a critical subject that warrants attention from the science community. The continuous monitoring of the middle atmosphere is important to this end. Several satellite missions in the past have been dedicated to monitoring the middle atmosphere and collecting data for decades. However, continual revisions and revaluations of measurement approaches and the introduction of novel space instruments are necessary to compensate for the limitations associated with existing missions, expand the extant specimen database, and improve phenomenon-centric observations. The Solar Occultation for Ice Experiment (SOFIE) is one of the two instruments on the Aeronomy of Ice in the Mesosphere (AIM) spacecraft. The studies presented in this dissertation primarily focus on the use of SOFIE observations combined with results from other science missions, an atmospheric model, and other datasets. Chapter I is an overview of the research goals and the motivations that propelled this research. In Chapter II, a validation study of the Version 1.3 SOFIE ozone data against the Atmospheric Chemistry Experiment (ACE) and the Michelson Interferometer for Passive Atmospheric Sounding (MIPAS) ozone data is presented. The SOFIE-ACE and SOFIE-MIPAS data pairs demonstrate similar variability in the ozone vertical profile. SOFIE vertical ozone profiles agree best with ACE from 30 - 70 km and MIPAS from 30-64 km. The mean difference values averaged over all seasons and both hemispheres are typically < 24% with ACE and < 20 % with MIPAS. Atomic oxygen is an important species in the mesopause region (~ 80 – 100 km) that impacts the region's ozone photochemistry and radiative balance. In Chapter III, SOFIE ozone measurements used to derive daytime atomic oxygen are compared to coincident retrievals from the Sounding of the Atmosphere using Broadband Emission Radiometry (SABER) instrument and the Naval Research Laboratory Mass Spectrometer Incoherent Scatter radar (NRLMSIS 2.0) model. The datasets agree qualitatively. Results indicate a strong seasonal variation of atomic oxygen with summer and wintertime maxima at ~ 84 km and 94 km, respectively. The middle atmospheric composition is redistributed by the transport of species during SSWs. In Chapter IV, the 2019 SSW in the northern hemisphere that triggered a large transport event from the lower thermosphere to the stratosphere is evaluated using SOFIE, ACE, and the Modern-Era Retrospective analysis for Research and Applications (MERRA-2) observations. The event was similar to the major SSW-triggered descent events in the northern hemisphere since 2004 and led to the enhancement of nitric oxide produced by Energetic Particle Precipitation, attributed to unusual meteorology. The transport peak descended by ~ 5-6 km every 10 days. An SSW event occurred in the southern hemisphere in 2019 and led to enhanced ozone in the stratosphere. In Chapter V, satellite instruments, ground station data, and measurements from NASA Ozone Watch are used to conclude that large temperature increments evaporated PSCs, resulting in the lower conversion of halogen reservoir species into ozone-destroying forms. Thus, a large ozone enhancement was recorded in 2019. Chapter VI concludes all findings and Chapter VII summarizes future work. / Doctor of Philosophy / The middle atmosphere is the region between ~ 10 and 100 km in the atmosphere and is comprised of the Stratosphere, Mesosphere, and Lower Thermosphere. The middle atmosphere is a dynamic region, and the chemistry of this region is subject to variations occurring naturally or those triggered by anomalous events such as Sudden Stratospheric Warmings (SSW). Several species in the middle atmosphere need to be measured continuously or reevaluated for improved understanding. Dynamical events in the middle atmosphere are responsible for transporting and redistributing species in the middle atmosphere. Thus, the continuous monitoring of the middle atmosphere is necessary. Novel approaches with improved techniques and approaches are thus important to explore the middle atmosphere and quantify the chemistry of the region. The Solar Occultation for Ice Experiment (SOFIE) instrument is an instrument onboard the Aeronomy of Ice in the Mesosphere (AIM) spacecraft. SOFIE typically measures at high latitudes and looks at a wide range of wavelengths. This dissertation uses SOFIE and other datasets to evaluate the varying chemistry and dynamics of the middle atmosphere. The dissertation addresses four research problems and assimilates them to evaluate the middle atmosphere. Ozone is an important species in the middle atmosphere, which is present in the highest quantity in the stratosphere, followed by the lower thermosphere (~ 85 – 100 km). Ozone is important as it absorbs ultraviolet radiations and impacts the stratospheric radiative balance. Missions in the past have monitored ozone in the middle atmosphere. Novel approaches and improved observation techniques to compensate for the limitations of past missions and the continuous measurement of ozone are necessary. Thus, ozone retrievals from SOFIE are validated against independent and established datasets to demonstrate the robustness and usability of the SOFIE ozone data product within the atmospheric science community. Atomic oxygen is an important species in the mesopause region (~ 80 – 100 km) because of its role in ozone photochemistry and impact on the radiative balance of the region. It is technologically challenging to make direct measurements of atomic oxygen; thus, most conventionally, derived measurements and model results are used. To this date, atomic oxygen has been understood in a limited capacity with several inaccuracies. To improve the understanding of atomic oxygen and fill the current knowledge gaps, atomic oxygen is derived from SOFIE ozone measurements during the daytime using the Chapman equations for ozone photochemistry. Further, the derived atomic oxygen is compared to other established datasets from satellite instrument-derived measurements and model predictions. The seasonal variability of atomic oxygen is evaluated with a focus on the difference in its behavior during summer and winter. Lastly, inter-hemispheric differences in atomic oxygen distribution are evaluated. Apart from the natural atmospheric variation in species, SSW-triggered transport events redistribute species in the atmosphere. The 2019 SSW event in the northern hemisphere was similar to those in 2004, 2006, 2009, and 2013. Large quantities of nitric oxide were transported from the lower thermosphere to the stratosphere. Air poor in water vapor and methane was also transported. Atomic oxygen was transported from the lower thermosphere to several kilometers below in amounts higher than usual. The increased nitric oxide concentration in the stratosphere due to the transport catalytically destroyed the ozone in the region. The vertical transport rates were calculated to understand the speed of the descent. The low geomagnetic index in 2019, like in all years besides 2004, indicates that these events are attributed to unusual meteorology. An SSW event took place in the southern hemisphere in 2019 during the Antarctic winter. This led to a large increase in temperature, which evaporated the Polar Stratospheric Clouds (PSCs). PSCs provide their surface for converting halogen reservoir species into ozone-destroying reactive forms. The absence of PSCs during and immediately after the SSW event led to a lower conversion of halogen reservoir species into reactive forms. Satellite instrument measurements agree with theoretical expectations. The 2002 SSW in the SH led to similar outcomes and are compared to the 2019 event. Large enhancements in ozone in 2019 led to the smallest ozone hole since ~ 1982.

Time series of mesosphere/lower thermosphere half-hourly winds over Collm (51.3°N, 13.0°E) have been obtained from 1984 – 2008 by low frequency spaced receiver measurements and from 2004 to date by very high frequency meteor radar Doppler wind observations in the height range 82 – 97 km. From half-hourly differences of zonal and meridional winds, gravity wave (GW) proxies have been calculated that describe amplitude variations in the period range of 1 – 3 hours. After applying corrections to account for instrumental differences, GW climatology and time series have been obtained. The mean GW activity in the upper mesosphere shows maximum amplitudes in summer, while in the lower thermosphere GWs maximize in winter. Positive/negative long-term trends are visible in winter/summer. Interannual and quasi-decadal variations of GW amplitudes are also visible, but these are intermittent. / Zeitreihen von halbstündlichen Winden der Mesosphare/unteren Thermosphare über Collm (51,3 ¨ °N, 13,0°E) wurden von 1984 bis 2008 durch LF-Driftmessungen und von 2004 bis heute durch VHF-Meteorradarmessungen im Höhenbereich von 82 – 97 km gewonnen. Aus halbstündlichen Differenzen von zonalen und meridionalen Winden wurden Proxies für Schwerewellen (GW) berechnet, welche Amplitudenvariationen im Periodenbereich von 1 – 3 Stunden beschreiben. Nach Korrekturen zur Berücksichtigung instrumenteller Unterschiede wurden GW-Klimatologie und Zeitreihen erstellt. Die mittlere GW-Aktivitat in der oberen Mesosphäre zeigt Maxima im Sommer, wahrend in der unteren Thermosphäre GW-Maxima im Winter auftreten. Positive/negative Langzeittrends sind im Winter/Sommer sichtbar. Interannuale und quasi-dekadische Variationen der GW-Amplituden sind ebenfalls sichtbar, aber nicht durchgehend erkennbar.

Bibliography: leaves 194-212. / ix, 214 leaves : ill. (some col.) ; 31 cm. / Title page, contents and abstract only. The complete thesis in print form is available from the University Library. / Thesis (Ph.D.)--University of Adelaide, Mawson Institute for Antarctic Research, 1991

Gravity wave amplitudes and momentum fluxes derived from SABER temperature measurements are analysed together with Collm meteor radar zonal winds. The momentum flux (MF) divergence derived from the SABER temperatures shows a maximum that is found at greater altitudes during solar minimum than during solar maximum. Therefore, the zonal mean wind and wind shear profiles are shifted upwards then, leading to a modulation of the otherwise negative correlation between solar cycle and mesosphere/lower thermosphere winds. / Amplituden von Schwerewellen und zugehörigen Impulsflüsse werden zusammen mit Windmessungen des Meteorradars Collm analysiert. Die Impulsflussdivergenz, abgeleitet aus SABER-Temperaturprofilen, hat ein Maximum welches im solaren Minimum nach oben verschoben ist. Dadurch werden auch die Vertikalprofile des Zonalwindes und der Windscherung nach oben verschoben, wodurch die ansonsten negative Sonnenfleckenzyklusabhängigkeit des zonalen Windes in der Mesosphäre/unteren Thermosphäre im solaren Minimum umgekehrt wird.

Am Geophysikalischen Observatorium Collm, das 1932 als experimentelle Basis des Geophysikalischen Institutes der Universität Leipzig für meteorologische, seismologische und geomagnetische Messungen von Professor LUDWIG WEICKMANN errichtet worden war, wurde 1956 in Vorbereitung des Internationalen Geophysikalischen Jahres (International Geophysical Year [IGY]) mit hochattnosphärischen Messungen begonnen. Seit 1959 liegt der Schwerpunkt auf Windmessungen im Höhenbereich der oberen Mesosphäre / unteren Thermosphäre (80 - 110 km). Die Meß- und Auswertemethode wurde in den vergangenen Jahrzehnten aus sehr bescheidenen Anfängen heraus theoretisch und experimentell so entwickelt, daß derzeit eine vollautomatische komplexe Apparatur zur quasi-kontinuierlichen Windmessung in drei Referenzpunkten über Mitteleuropa (gegenseitige Entfernung 200 km) zur Verfügung steht, die die Momentanwerte des Windes nach Richtung und Geschwindigkeit mißt, die zugehörige Höhe feststellt, Mittelwerte bildet, Grund- und Gezeitenwind voneinander trennt und Höhen-Wind-Profile über vorgebbare Zeitabschnitte rechnet, aus denen letztendlich Höhen-Zeit-Schnitte der Windfeldparameter konstruiert werden können. Die vorliegende Arbeit skizziert die einzelnen Etappen dieser Entwicklung, berichtet von Problemen und ihrer Lösung und gibt Beispiele von Windfeldanalysen aus dem Jahre 1992. / The Collm Geophysical Observatory was founded by Professor L. WEICKMANN in 1932 as an experimental base of Leipzig University''s Geophysical Institute for meteorological, seismological and geomagnetic observations. In 1956 as a preparation for the Internal Geophysical Year (IGY) we began with high-atmosphere measurements, and since 1959 wind measurements in the height range of the upper mesosphere / lower thennosphere (80 - 110 km) have been emphasized. During the past decades the method of measuring and analysing was developped theoretically and experimentally from primitive Starts so far, that at present a fully automatic and complex equipment with quasi-continuous measurements of the wind at three reference points within Central Europe (mutual distance 200 km) is available. These devices measure the instantaneous data of the wind according to direction and velocity, ascertain the corresponding height, calculate averages, separate the tidal wind components from the prevailing wind, and compute height wind-profiles for adjustable periods of time, from which height-time cross section of the wind field parameters can be finally constructed. The following paper outlines the particular stages of this development, informs about problems and their solution, and offers examples of wind field analyses for 1992.

The non-hydrostatic dynamical core ENDGame (Even Newer Dynamics for the General Atmospheric Modelling of the Environment) is extended into the thermosphere to test its feasability as a whole-atmosphere dynamical core that can simulate the large scale fluid dynamics of the whole atmosphere from the surface to the top of the thermosphere at 600km. This research may have applications in the development of a Sun-to-Earth modelling system involving the Met Office Unified Model, which will be useful for space weather forecasting and chemical climate modelling. Initial attempts to raise the top boundary of ENDGame above ∼100km give rise to instabilities. To explore the potential causes of these instabilities, a one dimensional column version of ENDGame: ENDGame1D, is developed to study the effects of vertically propagating acoustic waves in the dynamical core. A 2D ray-tracing scheme is also developed, which accounts for the numerical effects on wave propagation. It is found that ENDGame’s numerics have a tendency towards the excessive focussing of wave energy towards vertical propagation, and have poor handling of large amplitude waves, also being unable to handle shocks. A key finding is that the physical processes of vertical molecular viscosity and diffusion prevent the excessive growth of wave amplitudes in the thermosphere in ENDGame, which may be crucial to improving ENDGame’s stability as it is extended upwards. Therefore, a fully implicit-in-time implementation of vertical molecular viscosity and diffusion is developed in both ENDGame1D and the full three-dimensional version of ENDGame: ENDGame3D. A new scheme is developed to deal with the viscous and diffusive terms with the dynamics terms in a fully coupled way to avoid time-splitting errors that may arise. The combination of a small amount of off-centring of ENDGame’s semi-implicit formulation and the inclusion of vertical molecular viscosity and diffusion act to make ENDGame significantly more stable, as long as the simulation is able to remain stable up to the molecularly diffused region above an altitude of ∼130km.

A method of inferring tropospheric gravity wave source characteristics from middle atmosphere observations has been adapted from previous studies for use with MF radar observations of the equatorial mesosphere-lower thermosphere at Christmas Island in the central Pacific. The nature of the techniques applied also permitted an analysis of the momentum flux associated with the characterised sources and its effects on the equatorial mean flow and diurnal solar thermal tide. An anisotropic function of gravity wave horizontal phase speed was identified as being characteristic of convectively generated source spectra. This was applied stochastically to a ray-tracing model to isolate numerical estimates of the function parameters. The inferred spectral characteristics were found to be consistent with current theories relating convective gravity wave spectra to tropospheric conditions and parameters characterising tropical deep convection. The results obtained provide observational constraints on the model spectra used in gravity wave parameterisations in numerical weather prediction and general circulation models. The interaction of gravity waves with the diurnal solar thermal tide was found to cause an amplification of the tide in the vicinity of the mesopause. The gravity wave-tidal interactions were highly sensitive to spectral width and amplitude. Estimates were made of the high frequency gravity wave contribution to forcing the MSAO with variable results. The data used in the analysis are part of a large archive which now has the potential to provide tighter constraints on wave spectra through the use of the methods developed here. / http://proxy.library.adelaide.edu.au/login?url= http://library.adelaide.edu.au/cgi-bin/Pwebrecon.cgi?BBID=1352362 / Thesis (Ph.D.) -- University of Adelaide, School of Chemistry and Physics, 2009

Bibliography: leaves 140-151 / 151, [2] leaves : ill ; 30 cm. / Title page, contents and abstract only. The complete thesis in print form is available from the University Library. / Thesis (Ph.D.)--University of Adelaide, Mawson Institute, 1989