An efficient thermal solver is available in the CMC that allows modeling self-heating in the electrical simulations, which treats phonons as flux and solves the energy balance equation to quantify thermal effects. Using this solver, thermal simulations were performed on GaN-HEMTs in order to test effect of gate architectures on the DC and RF performance of the device. A Π- gate geometry is found to suppress 19.75% more hot electrons corresponding to a DC power of 2.493 W/mm for Vgs = -0.6V (max transconductance) with respect to the initial T-gate. For the DC performance, the output current, Ids is nearly same for each device configuration over the entire bias range. For the RF performance, the current gain was evaluated over a frequency range 20 GHz to 120 GHz in each device for both thermal (including self-heating) and isothermal (without self-heating). The evaluated cutoff frequency is around 7% lower for the thermal case than the isothermal case. The simulated cutoff frequency closely follows the experimental cutoff frequency. The work was extended to the study of ultra-wide bandgap material (Diamond), where isotope effect causes major deterioration in thermal conductivity. In this case, bulk phonons are modeled as semiclassical particles solving the nonlinear Peierls - Boltzmann transport equation with a stochastic approach. Simulations were performed for 0.001% (ultra-pure), 0.1% and 1.07% isotope concentration (13C) of diamond, showing good agreement with the experimental values. Further investigation was performed on the effect of isotope on the dynamics of individual phonon branches, thermal conductivity and the mean free path, to identify the dominant phonon branch. Acoustic phonons are found to be the principal contributors to thermal conductivity across all isotope concentrations with transverse acoustic (TA2) branch is the dominant branch with a contribution of 40% at room temperature and 37% at 500K. Mean free path computations show the lower bound of device dimensions in order to obtain maximum thermal conductivity. At 300K, the lowest mean free path (which is attributed to Longitudinal Optical phonon) reduces from 24nm to 8 nm for isotope concentration of 0.001% and 1.07% respectively. Similarly, the maximum mean free path (which is attributed to Longitudinal Acoustic phonon) reduces from 4 µm to 3.1 µm, respectively, for the same isotope concentrations. Furthermore, PETSc (Portable, Extensible Toolkit for Scientific Computation) developed by Argonne National Lab, was included in the existing Cellular Monte Carlo device simulator as a Poisson solver to further extend the capability of the simulator. The validity of the solver was tested performing 2D and 3D simulations and the results were compared with the well-established multigrid Poisson solver.

Energy storage technologies are essential to overcome the temporal variability in renewable energy. The primary aim of this thesis is to develop reactor solutions to better analyze the potential of thermochemical energy storage (TCES) using non-stoichiometric metal oxides, for the multi-day energy storage application. A TCES system consists of a reduction reactor and an insulated MOx storage bin. The reduction reactor heats (to ~ 1100 °C) and partially reduces the MOx, thereby adding sensible and chemical energy (i.e., charging it) under reduced pO2 environments (~10 Pa). Inert gas removes the oxygen generated during reduction. The storage bin holds the hot and partially reduced MOx (typically particles) until it is used in an energy recovery device (i.e., discharge). Irrespective of the reactor heat source (here electrical), or the particle-inert gas flows (here countercurrent), the thermal reduction temperature and inert gas (here N2) flow minimize when the process approaches reversibility, i.e., operates near equilibrium. This study specifically focuses on developing a reduction reactor based on the theoretical considerations for approaching reversibility along the reaction path. The proposed Zigzag flow reactor (ZFR) is capable of thermally reducing CAM28 particles at temperatures ~ 1000 °C under an O2 partial pressure ~ 10 Pa. The associated analytical and numerical models analyze the reaction equilibrium under a real (discrete) reaction path and the mass transfer kinetic conditions necessary to approach equilibrium. The discrete equilibrium model minimizes the exergy destroyed in a practical reactor and identifies methods of maximizing the energy storage density () and the exergetic efficiency. The mass transfer model analyzes the O2 N2 concentration boundary layers to recommend sizing considerations to maximize the reactor power density. Two functional ZFR prototypes, the -ZFR and the -ZFR, establish the proof of concept and achieved a reduction extent, Δδ = 0.071 with CAM28 at T~950 °C and pO2 = 10 Pa, 7x higher than a previous attempt in the literature. The -ZFR consistently achieved  > 100 Wh/kg during >10 h. runtime and the -ZFR displayed an improved  = 130 Wh/kg during >5 h. operation with CAM28. A techno-economic model of a grid-scale ZFR with an associated storage bin analyzes the cost of scaling the ZFR for grid energy storage requirements. The scaled ZFR capital costs contribute < 1% to the levelized cost of thermochemical energy storage, which ranges from 5-20 ¢/kWh depending on the storage temperature and storage duration.

The conversion of H2S enables the recycling of a waste gas into a potential source of hydrogen at a lower thermodynamic energy cost as compared to water splitting. However, studies on the photocatalytic decomposition of H2S focus on traditional deployment of catalyst materials to facilitate this conversion, and operation only when a light source is available. In this study, the efficacy of Direct Ink Written (DIW) luminous structures for H2S conversion has been investigated, with the primary objective of sustaining H2S conversion when a light source has been terminated. Additionally, as a secondary objective, improving light distribution within monoliths for photocatalytic applications is desired. The intrinsic illumination of the 3D printed monoliths developed in this work could serve as an alternative to monolith systems that employ light transmitting fiber optic cables that have been previously proposed to improve light distribution in photocatalytic systems. The results that were obtained demonstrate that H2S favorable adsorbents, a wavelength compatible long afterglow phosphor, and a photocatalyst can form viscoelastic inks that are printable into DIW luminous monolithic contactors. Additionally, rheological, optical and porosity analyses conducted, provide design guidelines for future studies seeking to develop DIW luminous monoliths from compatible catalyst-phosphor pairs. The monoliths that were developed demonstrate not only improved conversion when exposed to light, but more significantly, extended H2S conversion from the afterglow of the monoliths when an external light source was removed. Lastly, considering growing interests in attaining a global circular economy, the techno-economic feasibility of a H2S-CO2 co-utilization plant leveraging hydrogen from H2S photocatalysis as a feed source for a downstream CO2 methanation plant has been assessed. The work provides preliminary information to guide future chemical kinetic design characteristics that are important to strive for if using H2S as a source of hydrogen in a CO2 methanation facility.

Expedited by the ongoing effects of the Covid-19 pandemic and the expanding portfolio of Arizona State University's online degree programs, this study undertakes the task of enriching the “Experimental Mechanical Engineering” course within ASU's online Bachelor of Mechanical Engineering curriculum. This thesis outlines the development of simulations accurately mirroring the characteristics and functionalities of water pump laboratory experiments, which previously necessitated on-site, group-based participation. The goal is for these simulations to serve as digital twins of the original equipment, allowing students to examine fundamental mechanical principles like the Bernoulli equation and Affinity Laws in a virtual, yet realistic setting. Furthermore, the simulations are designed to accommodate uncertainty calculations, replicating the instrument error (i.e., bias and precision uncertainty) inherent in the original water pump units. The methodology of this simulation design predominantly involves the use of MATLAB SimScape, chosen for its configurability and simplicity, with modifications made to match the original experiment data. Then, subsequent analysis of results between the simulation and experiment is conducted to facilitate the validation process. After executing the full laboratory procedure using the simulations, they displayed rapid operation and produced results that remained within boundaries of experimental uncertainty, it also faces several challenges, such as the inability to simulate the pump cavitation effect and the lack of animation. Future research should focus on addressing these limitations, thereby enhancing the model’s precision and extending its functionality to provide better visualization capabilities and exploration of pump cavitation effects. Furthermore, students’ feedback needs to be collected, since it is essential to assess and validate the effectiveness of this instructional approach.

Human exposure to extreme heat is becoming more prevalent due to increasing urbanization and changing climate. In many extreme heat conditions, thermal radiation (from solar to emitted by the surrounding) is a significant contributor to heating the body, among other modes of heat transfer. Therefore, accurately measuring radiative heat flux on a human body is becoming increasingly important for calculating human thermal comfort and heat safety in extreme conditions. Most often, radiant heat exchange between the human body and surroundings is quantified using mean radiant temperature, T_mrt. This value is commonly measured using globe or cylindrical radiometers. It is based on radiation absorbed by the surface of the radiometer, which can be calculated using a surface energy balance involving both convection and emitted radiation at steady state. This convection must be accounted for and is accomplished using a traditional heat transfer coefficient correlation with measured wind speed. However, the utilized correlations are based on wind tunnel measurements and do not account for any turbulence present in the air. The latter can even double the heat transfer coefficient, so not accounting for it can introduce major errors in T_mrt. This Thesis focuses on the development, and testing of a cost-effective heated cylinder to directly measure the convection heat transfer coefficient in field conditions, which can be used for accounting convection in measuring T_mrt using a cylindrical radiometer. An Aluminum cylinder of similar dimensions as that of a cylindrical radiometer was heated using strip heaters, and the surface temperature readings were recorded to estimate the convection heat transfer coefficient, h. Various tests were conducted to test this concept. It was observed that heated cylinders take significantly less time to reach a steady state and respond to velocity change quicker than existing regular-sized globe thermometers. It was also shown that, for accurate estimation of h, it is required to measure the outer surface temperature than the center temperature. Furthermore, the value calculated matches well in range with classic correlations that include velocity, showing proof of concept.

Solid Oxide Fuel Cells (SOFCs) generate electricity using only hydrogen and oxygen and they form H2O as the only byproduct, giving them the potential to significantly reduce carbon emissions and the impacts of global warming. In order to meet the global power demands today, SOFCs need to significantly increase their power density and improve robustness in startup and cycling operations. This study explores the impact of decreasing the anode thickness to improve the mass transport of the fuel through the anode of a micro-tubular (mT) SOFC because few studies have reported the correlation between the two. Decreasing the thickness decreases the chance for concentration overpotential which is caused by not enough of the reactants being able to reach the reaction site while products are not able to be removed quickly enough. Experiments were performed in a split tube furnace heated to 750°C with nickel-yttria stabilized zirconia (Ni-YSZ) supported cells. Pure hydrogen was supplied to the cell at rates of 10, 20, 30, and 40 mL/min while the cathode was supplied air from the environment. The cell's performance was studied using the current-voltage method to generate polarization curves and electrochemical impedance spectroscopy to create Bode and Nyquist plots. The results from the electrochemical impedance spectroscopy show a lower impedance for the frequencies pertaining to the gas diffusion in the anode for the thinner cells. This suggests that decreasing the anode thickness increases the mass transport of the gas. Additionally, through a distribution of relaxation times (DRT) analysis, the peaks vary between the two cell thicknesses at the frequencies pertaining to gas diffusion in anode-supported cells, implicating the decreased resistance created by thinning the anode layer.

Progressive miniaturization in electronics demands advanced materials with excellent energy conversion and transport properties. Opportunities exist in novel material morphologies such as hierarchical structures, multi-functional composites and nanoscale architectures which may offer mechanical, thermal and electronic properties tailored to a wide range of applications (e.g., aerospace, robotics, biomedical etc.). However, the manufacturing capabilities have always posed a grand challenge in realizing the advanced material morphologies. Furthermore, the multi-scale modeling of complex material architectures has been extremely challenging owing to the limitations in computation methodologies and lack of understanding in nano-/micro-meter scale physics. To address these challenges, this work considers the morphology effect on carbon nanotube (CNT)-based composites, CNT fibers and thermoelectric (TE) materials. First, this work reports additively manufacturable TE morphologies and analyzes the thermo-electric transport behavior. This research introduces innovative honeycomb TE architectures that showed ~26% efficiency increase and ~25% density reduction compared to conventional rectangular TE architectures. Moreover, this work presents 3D printable compositionally segmented TE architecture which provides record-high efficiencies (up to 8.7%) over wide temperature ranges if the composition and aspect ratio of multiple TE materials are optimized within a single TE device. Next, this research proposes computationally efficient two-dimensional (2D) finite element model (FEM) to study the electrical and thermal properties in CNT based composites by simultaneously considering the stochastic CNT distributions, CNT fractions (upto 80%) and interfacial resistances. The FEM allows to estimate the theoretical maximum possible conductivities with corresponding interfacial resistances if the CNT morphologies are carefully controlled, along with appreciable insight into the energy transport physics. Then, this work proposes a data-driven surrogate model based on convolutional neural networks to rapidly approximate the composite conductivities in a second with accuracy > 98%, compared to FEM taking >100 minutes per simulation. Finally, this research presents a pseudo 2D FEM to approximate the electrical and thermal properties in CNT fibers at various CNT aspect ratios (up to 10,000) by simultaneously considering CNT-CNT interfacial effects along with the stochastic distribution of inter-bundle voids.

Gallium based room-temperature liquid metals (LMs) have special properties such as metal-like high thermal conductivity while in the liquid state. They are suitable for many potential applications, including thermal interface materials, soft robotics, stretchable electronics, and biomedicine. However, their high density, high surface tension, high reactivity with other metals, and rapid oxidation restrict their applicability. This dissertation introduces two new types of materials, LM foams, and LM emulsions, that address many of these issues. The formation mechanisms, thermophysical properties, and example applications of the LM foams and emulsions are investigated.LM foams can be prepared by shear mixing the bulk LM in air using an impeller. The surface oxide layer is sheared and internalized into the bulk LM as crumpled oxide flakes during this process. After a critical amount of oxide flakes is internalized, they start to stabilize air bubbles by encapsulating and oxide-bridging. This mechanism enables the fabrication of a LM foam with improved properties and better spreadability. LM emulsions can be prepared by mixing the LM foam with a secondary liquid such as silicone oil (SO). By tuning a few factors such as viscosity of the secondary liquid, composition, and mixing duration, the thermophysical properties of the emulsion can be controlled. These emulsions have a lower density, better spreadability, and unlike the original LM and LM foam, they do not induce corrosion of other metals. LM emulsions can form by two possible mechanisms, first by the secondary liquid replacing air features in the existing foam pores (replacement mechanism) and second by creating additional liquid features within the LM foam (addition mechanism). The latter mechanism requires significant oxide growth and therefore requires presence of oxygen in the environment. The dominant mechanism can therefore be distinguished by mixing LM foam with the SO in air and oxygen-free environments. Additionally, a comprehensive analysis of foam-to-emulsion density change, multiscale imaging and surface wettability confirm that addition mechanism dominates the emulsion formation. These results provide insight into fundamental processes underlying LM foams and emulsions, and they set up a foundation for preparing LM emulsions with a wide range of fluids and controllable properties.

Radiation heat transfer can surpass blackbody limit when distance between the hot emitter and cold receiver is less than the characteristic wavelength of electromagnetic radiation. The enhanced radiation heat transfer achieved is also called near-field radiation heat transfer. Several theoretical and experimental studies have demonstrated enhancement in near-field radiation heat transfer for isotropic materials such as silicon carbide (SiC), undoped and doped Si. The enhancement achieved however is narrow-banded. Significant improvement in radiation heat transfer is necessary to satisfy some of the energy demands. So, there is a growing interest to use hyperbolic materials because of its enhancement due to propagating modes. The main objective of the current thesis project is to investigate the control of hyperbolic bands using boron nitride nanotubes (nanostructure of hexagonal boron nitride) for near-field radiative heat transfer. Optical properties of boron nitride nanotubes are calculated using Maxwell-Garnet’s effective medium theory and its corresponding hyperbolic bands are identified. It is observed that the boron nitride nanotubes have only one hyperbolic band located at higher frequencies. Preliminary comparisons of the near-field radiative heat flux calculations with literature are performed using a more general 4×4 transfer matrix method. Due to its high computational time, anisotropic thin film optics is used to calculate near-field radiative heat transfer. Factors contributing to enhancement is investigated. In the end, Spectral allocation ratio, the ratio of heat flux contributed from higher frequencies to the heat flux contributed from lower frequencies is calculated to assess the contribution of each hyperbolic band to total heat flux.

The propulsion matrix provides a compact description of the locomotion of a single flagella molecular motor in a low Reynolds number environment. The locomotion properties of individual flagellar motors are central to bacterial behavior, including chemotaxis, pathogenesis, and biofilm formation. However, because conventional hydrodynamic measurement approaches require applied forces, torques, or fluid flows, it is not possible to directly measure the propulsion matrix for an individual microscale helical filament. Here, the limitations inherent to conventional measurement approaches are overcome using a combination of theoretical, experimental, and computational advancements. First, the relationship between the elements of the propulsion matrix with translational and rotational Brownian motion is derived using the fluctuation-dissipation theorem. Next, a volumetric fluorescent imaging using high resolution oblique plane microscopy with sufficient spatio-temporal resolution is conducted to resolve both translation and rotation of individual helical filaments isolated from E.coli's flagellar motor. Finally, a computational framework is developed to track individual helical filaments across six degrees of freedom, extract diffusion coefficients, and quantify the temporal correlation between translation and rotation. This study computed the maximum propulsion efficiency to be around 1.7%. Direct measurement of propulsion efficiency generally agrees with the ensemble and large-scale measurements previously performed using conventional hydrodynamic measurements. The findings suggest that the approach described here can be extended to more complex in-vitro experiments that evaluate microscale molecular motors. For example, evaluating sperm motility without inducing chemotaxis or utilizing a microfluidic setup.