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Intelligent engineering designs require an accurate understanding of material behavior, since any uncertainties or gaps in knowledge must be counterbalanced with heightened factors of safety, leading to overdesign. Therefore, building better structures and pushing the performance of new components requires an improved understanding of the thermomechanical response of advanced materials

Intelligent engineering designs require an accurate understanding of material behavior, since any uncertainties or gaps in knowledge must be counterbalanced with heightened factors of safety, leading to overdesign. Therefore, building better structures and pushing the performance of new components requires an improved understanding of the thermomechanical response of advanced materials under service conditions. This dissertation provides fundamental investigations of several advanced materials: thermoset polymers, a common matrix material for fiber-reinforced composites and nanocomposites; aluminum alloy 7075-T6 (AA7075-T6), a high-performance aerospace material; and ceramic matrix composites (CMCs), an advanced composite for extreme-temperature applications. To understand matrix interactions with various interfaces and nanoinclusions at their fundamental scale, the properties of thermoset polymers are studied at the atomistic scale. An improved proximity-based molecular dynamics (MD) technique for modeling the crosslinking of thermoset polymers is carefully established, enabling realistic curing simulations through its ability to dynamically and probabilistically perform complex topology transformations. The proximity-based MD curing methodology is then used to explore damage initiation and the local anisotropic evolution of mechanical properties in thermoset polymers under uniaxial tension with an emphasis on changes in stiffness through a series of tensile loading, unloading, and reloading experiments. Aluminum alloys in aerospace applications often require a fatigue life of over 109 cycles, which is well over the number of cycles that can be practically tested using conventional fatigue testing equipment. In order to study these high-life regimes, a detailed ultrasonic cycle fatigue study is presented for AA7075-T6 under fully reversed tension-compression loading. The geometric sensitivity, frequency effects, size effects, surface roughness effects, and the corresponding failure mechanisms for ultrasonic fatigue across different fatigue regimes are investigated. Finally, because CMCs are utilized in extreme environments, oxidation plays an important role in their degradation. A multiphysics modeling methodology is thus developed to address the complex coupling between oxidation, mechanical stress, and oxygen diffusion in heterogeneous carbon fiber-reinforced CMC microstructures.
ContributorsSchichtel, Jacob (Author) / Chattopadhyay, Aditi (Thesis advisor) / Dai, Lenore (Committee member) / Ghoshal, Anindya (Committee member) / Huang, Huei-Ping (Committee member) / Jiao, Yang (Committee member) / Oswald, Jay (Committee member) / Arizona State University (Publisher)
Created2022
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Description
Computing the fluid phase interfaces in multiphase flow is a challenging area of research in fluids. The Volume of Fluid andLevel Set methods are a few algorithms that have been developed for reconstructing the multiphase fluid flow interfaces. The thesis work focuses on exploring the ability of neural networks to reconstruct

Computing the fluid phase interfaces in multiphase flow is a challenging area of research in fluids. The Volume of Fluid andLevel Set methods are a few algorithms that have been developed for reconstructing the multiphase fluid flow interfaces. The thesis work focuses on exploring the ability of neural networks to reconstruct the multiphase fluid flow interfaces using a data-driven approach. The neural network model has liquid volume fraction stencils as an input, and it predicts the radius of the circle as an output of the network which represents a phase interface separating two immiscible fluids inside a fluid domain. The liquid volume fraction stencils are generated for randomly varying circle radii within a 1x1 domain using an open-source VOFI library. These datasets are used to train the neural network. Once the model is trained, the predicted circular phase interface from the neural network output is used to generate back the predicted liquid volume fraction stencils. Error norms values are calculated to assess the error in the neural network model’s predicted liquid volume fraction stencils with the actual liquid volume fraction stencils from the VOFI library. The neural network parameters are optimized by testing them for different hyper-parameters to reduce the error norms. So as to minimize the difference between the predicted and the actual liquid volume fraction stencils and errors in reconstructing the fluid phase interface geometry.
ContributorsPawar, Pranav Rajesh (Author) / Herrmann, Marcus (Thesis advisor) / Zhuang, Houlong (Committee member) / Huang, Huei-Ping (Committee member) / Arizona State University (Publisher)
Created2023
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Description
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

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.
ContributorsAbdullahi, Adnan (Author) / Andino, Jean (Thesis advisor) / Phelan, Patrick (Thesis advisor) / Bhate, Dhruv (Committee member) / Wang, Robert (Committee member) / Huang, Huei-Ping (Committee member) / Arizona State University (Publisher)
Created2023
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Description
In this dissertation, two types of passive air freshener products from Henkel, the wick-based air freshener and gel-based air freshener, are studied for their wicking mechanisms and evaporation performances.The fibrous pad of the wick-based air freshener is a porous medium that absorbs fragrance by capillary force and releases the fragrance

In this dissertation, two types of passive air freshener products from Henkel, the wick-based air freshener and gel-based air freshener, are studied for their wicking mechanisms and evaporation performances.The fibrous pad of the wick-based air freshener is a porous medium that absorbs fragrance by capillary force and releases the fragrance into the ambient air. To investigate the wicking process, a two-dimensional multiphase flow numerical model using COMSOL Multiphysics is built. Saturation and liquid pressure inside the pad are solved. Comparison between the simulation results and experiments shows that evaporation occurs simultaneously with the wicking process. The evaporation performance on the surface of the wicking pad is analyzed based on the kinetic theory, from which the mass flow rate of molecules passing the interface of each pore of the porous medium is obtained. A 3D model coupling the evaporation model and dynamic wicking on the evaporation pad is built to simulate the entire performance of the air freshener to the environment for a long period of time. Diffusion and natural convection effects are included in the simulation. The simulation results match well with the experiments for both the air fresheners placed in a chamber and in the absent of a chamber, the latter of which is subject to indoor airflow. The gel-based air freshener can be constructed as a porous medium in which the solid network of particles spans the volume of the fragrance liquid. To predict the evaporation performance of the gel, two approaches are tested for gel samples in hemispheric shape. The first approach is the sessile drop model commonly used for the drying process of a pure liquid droplet. It can be used to estimate the weight loss rate and time duration of the evaporation. Another approach is to simulate the concentration profile outside the gel and estimate the evaporation rate from the surface of the gel using the kinetic theory. The evaporation area is updated based on the change of pore size. A 3D simulation using the same analysis is further applied to the cylindrical gel sample. The simulation results match the experimental data well.
ContributorsYuan, Jing (Author) / Chen, Kangping (Thesis advisor) / Herrmann, Marcus (Committee member) / Huang, Huei-Ping (Committee member) / Wang, Liping (Committee member) / Jiao, Yang (Committee member) / Arizona State University (Publisher)
Created2021
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Description
The energy consumed by buildings occupies a large part of energy consumption and carbon emissions. Meanwhile, enormous amounts of waste heat from buildings and the swiftly increasing demand for electric energy have become one of the essential contradictions that scientists pay attention to. As a result, how to make use

The energy consumed by buildings occupies a large part of energy consumption and carbon emissions. Meanwhile, enormous amounts of waste heat from buildings and the swiftly increasing demand for electric energy have become one of the essential contradictions that scientists pay attention to. As a result, how to make use of the waste heat to generate electric energy becomes an appreciable research topic. In the latest research, it is common to convert the thermal energy generated by the temperature difference into electrical energy using the Seebeck effect. In previous research, a prototype of a thermogalvanic cell with graphite as the electrodes and a combination of Iron (II) and Iron (III) perchlorate salts (Fe(ClO4)2, Fe(ClO4)3) as the electrolyte, and with a 3D-printed Schwarz-P structure, was designed and assembled for achieving the energy conversion. The research shows that the incorporation of a 3D-printed Schwarz-P structure improves the thermogalvanic cell’s performance and increases the temperature difference across the cell. Here we focus on the same type of thermogalvanic cell prototype and keep the same working temperature difference but use different electrolyte concentrations (0.05, 0.10, 0.15, 0.20, and 0.25 mol/L) to measure the electric output, including open-circuit voltage, short-circuit current, and maximum output power, and the internal resistance. The results indicate that the open-circuit voltage and maximum output power increase with the rise of electrolyte concentrations, and the short-circuit current decreases with the rise of electrolyte concentrations.
ContributorsHan, Xiaochuan (Author) / Phelan, Patric (Thesis advisor) / Huang, Huei-Ping (Committee member) / Bocanegra, Luis (Committee member) / Arizona State University (Publisher)
Created2022
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Description
The subject of this thesis is concerned with the amount of cooling air assigned to seal high pressure turbine rim cavities which is critical for performance as well as component life. Insufficient air leads to excessive hot annulus gas ingestion and its penetration deep into the cavity compromising disc life.

The subject of this thesis is concerned with the amount of cooling air assigned to seal high pressure turbine rim cavities which is critical for performance as well as component life. Insufficient air leads to excessive hot annulus gas ingestion and its penetration deep into the cavity compromising disc life. Excessive purge air, adversely affects performance. Experiments on a rotating turbine stage rig which included a rotor-stator forward disc cavity were performed at Arizona State University. The turbine rig has 22 vanes and 28 blades, while the rim cavity is composed of a single-tooth rim lab seal and a rim platform overlap seal. Time-averaged static pressures were measured in the gas path and the cavity, while mainstream gas ingestion into the cavity was determined by measuring the concentration distribution of tracer gas (carbon dioxide). Additionally, particle image velocimetry (PIV) was used to measure fluid velocity inside the rim cavity between the lab seal and the overlap. The data from the experiments were compared to an 360-degree unsteady RANS (URANS) CFD simulations. Although not able to match the time-averaged test data satisfactorily, the CFD simulations brought to light the unsteadiness present in the flow during the experiment which the slower response data did not fully capture. To interrogate the validity of URANS simulations in capturing complex rotating flow physics, the scope of this work also included to validating the CFD tool by comparing its predictions against experimental LDV data in a closed rotor-stator cavity. The enclosed cavity has a stationary shroud, a rotating hub, and mass flow does not enter or exit the system. A full 360 degree numerical simulation was performed comparing Fluent LES, with URANS turbulence models. Results from these investigations point to URANS state of art under-predicting closed cavity tangential velocity by 32% to 43%, and open rim cavity effectiveness by 50% compared to test data. The goal of this thesis is to assess the validity of URANS turbulence models in more complex rotating flows, compare accuracy with LES simulations, suggest CFD settings to better simulate turbine stage mainstream/disc cavity interaction with ingestion, and recommend experimentation techniques.
ContributorsKanjiyani, Shezan (Author) / Lee, Taewoo (Thesis advisor) / Mirzamoghadam, Alexander (Committee member) / Huang, Huei-Ping (Committee member) / Arizona State University (Publisher)
Created2016
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Description
It is well known that radiative heat transfer rate can exceed that between two blackbodies by several orders of magnitude due to the coupling of evanescent waves. One promising application of near-field thermal radiation is thermophotovoltaic (TPV) devices, which convert thermal energy to electricity. Recently, different types of metamaterials with

It is well known that radiative heat transfer rate can exceed that between two blackbodies by several orders of magnitude due to the coupling of evanescent waves. One promising application of near-field thermal radiation is thermophotovoltaic (TPV) devices, which convert thermal energy to electricity. Recently, different types of metamaterials with excitations of surface plasmon polaritons (SPPs)/surface phonon polaritons (SPhPs), magnetic polaritons (MP), and hyperbolic modes (HM), have been studied to further improve near-field radiative heat flux and conversion efficiency. On the other hand, near-field experimental demonstration between planar surfaces has been limited due to the extreme challenge in the vacuum gap control as well as the parallelism.

The main objective of this work is to experimentally study the near-field radiative transfer and the excitation of resonance modes by designing nanostructured thin films separated by nanometer vacuum gaps. In particular, the near-field radiative heat transfer between two parallel plates of intrinsic silicon wafers coated with a thin film of aluminum nanostructure is investigated. In addition, theoretical studies about the effects of different physical mechanisms such as SPhP/SPP, MPs, and HM on near-field radiative transfer in various nanostructured metamaterials are conducted particularly for near-field TPV applications. Numerical simulations are performed by using multilayer transfer matrix method, rigorous coupled wave analysis, and finite difference time domain techniques incorporated with fluctuational electrodynamics. The understanding gained here will undoubtedly benefit the spectral control of near-field thermal radiation for energy-harvesting applications like thermophotovoltaic energy conversion and radiation-based thermal management.
ContributorsSabbaghi, Payam (Author) / Wang, Liping (Thesis advisor) / Phelan, Patrick (Committee member) / Huang, Huei-Ping (Committee member) / Wang, Robert (Committee member) / Yu, Hongbin (Committee member) / Arizona State University (Publisher)
Created2019
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Description
Phononic crystals are artificially engineered materials that can forbid phonon propagation in a specific frequency range that is referred to as a “phononic band gap.” Phononic crystals that have band gaps in the GHz to THz range can potentially enable sophisticated control over thermal transport with “phononic devices”. Calculations of

Phononic crystals are artificially engineered materials that can forbid phonon propagation in a specific frequency range that is referred to as a “phononic band gap.” Phononic crystals that have band gaps in the GHz to THz range can potentially enable sophisticated control over thermal transport with “phononic devices”. Calculations of the phononic band diagram are the standard method of determining if a given phononic crystal structure has a band gap. However, calculating the phononic band diagram is a computationally expensive and time-consuming process that can require sophisticated modeling and coding. In addition to this computational burden, the inverse process of designing a phononic crystal with a specific band gap center frequency and width is a challenging problem that requires extensive trial-and-error work.

In this dissertation, I first present colloidal nanocrystal superlattices as a new class of three-dimensional phononic crystals with periodicity in the sub-20 nm size regime using the plane wave expansion method. These calculations show that colloidal nanocrystal superlattices possess phononic band gaps with center frequencies in the 102 GHz range and widths in the 101 GHz range. Varying the colloidal nanocrystal size and composition provides additional opportunities to fine-tune the phononic band gap. This suggests that colloidal nanocrystal superlattices are a promising platform for the creation of high frequency phononic crystals.

For the next topic, I explore opportunities to use supervised machine learning for expedited discovery of phononic band gap presence, center frequency and width for over 14,000 two-dimensional phononic crystal structures. The best trained model predicts band gap formation, center frequencies and band gap widths, with 94% accuracy and coefficients of determination (R2) values of 0.66 and 0.83, respectively.

Lastly, I expand the above machine learning approach to use machine learning to design a phononic crystal for a given set of phononic band gap properties. The best model could predict elastic modulus of host and inclusion, density of host and inclusion, and diameter-to-lattice constant ratio for target center and width frequencies with coefficients of determinations of 0.94, 0.98, 0.94, 0.71, and 0.94 respectively. The high values coefficients of determination represents great opportunity for phononic crystal design.
ContributorsSadat, Seid Mohamadali (Author) / Wang, Robert Y (Thesis advisor) / Huang, Huei-Ping (Committee member) / Ankit, Kumar (Committee member) / Wang, Liping (Committee member) / Phelan, Patrick (Committee member) / Arizona State University (Publisher)
Created2020
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Description
Compressible fluid flows involving multiple physical states of matter occur in both nature and technical applications such as underwater explosions and implosions, cavitation-induced bubble collapse in naval applications and Richtmyer-Meshkov type instabilities in inertial confinement fusion. Of particular interest is the atomization of fuels that enable shock-induced mixing of fuel

Compressible fluid flows involving multiple physical states of matter occur in both nature and technical applications such as underwater explosions and implosions, cavitation-induced bubble collapse in naval applications and Richtmyer-Meshkov type instabilities in inertial confinement fusion. Of particular interest is the atomization of fuels that enable shock-induced mixing of fuel and oxidizer in supersonic combustors. Due to low residence times and varying length scales, providing insight through physical experiments is both technically challenging and sometimes unfeasible. Numerical simulations can help provide detailed insight and aid in the engineering design of devices that can harness these physical phenomena.

In this research, computational methods were developed to accurately simulate phase interfaces in compressible fluid flows with a focus on targeting primary atomization. Novel numerical methods which treat the phase interface as a discontinuity, and as a smeared region were developed using low-dissipation, high-order schemes. The resulting methods account for the effects of compressibility, surface tension and viscosity. To aid with the varying length scales and high-resolution requirements found in atomization applications, an adaptive mesh refinement (AMR) framework is used to provide high-resolution only in regions of interest. The developed methods were verified with test cases involving strong shocks, high density ratios, surface tension effects and jumps in the equations of state, in one-, two- and three dimensions, obtaining good agreement with theoretical and experimental results. An application case of the primary atomization of a liquid jet injected into a Mach 2 supersonic crossflow of air is performed with the methods developed.
ContributorsKannan, Karthik (Author) / Herrmann, Marcus (Thesis advisor) / Huang, Huei-Ping (Committee member) / Lopez, Juan (Committee member) / Peet, Yulia (Committee member) / Wang, Liping (Committee member) / Arizona State University (Publisher)
Created2020
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Description
Realistic engineering, physical and biological systems are very complex in nature, and their response and performance are governed by multitude of interacting processes. In computational modeling of these systems, the interactive response is most often ignored, and simplifications are made to model one or a few relevant phenomena as opposed

Realistic engineering, physical and biological systems are very complex in nature, and their response and performance are governed by multitude of interacting processes. In computational modeling of these systems, the interactive response is most often ignored, and simplifications are made to model one or a few relevant phenomena as opposed to a complete set of interacting processes due to a complexity of integrative analysis. In this thesis, I will develop new high-order computational approaches that reduce the amount of simplifications and model the full response of a complex system by accounting for the interaction between different physical processes as required for an accurate description of the global system behavior. Specifically, I will develop multi-physics coupling techniques based on spectral-element methods for the simulations of such systems. I focus on three specific applications: fluid-structure interaction, conjugate heat transfer, and modeling of acoustic wave propagation in non-uniform media. Fluid-structure interaction illustrates a complex system between a fluid and a solid, where a movable and deformable structure is surrounded by fluid flow, and its deformation caused by fluid affects the fluid flow interactively. To simulate this system, two coupling schemes are developed: 1) iterative implicit coupling, and 2) explicit coupling based on Robin-Neumann boundary conditions. A comprehensive verification strategy of the developed methodology is presented, including a comparison with benchmark flow solutions, h-, p- and temporal refinement studies. Simulation of a turbulent flow in a channel interacting with a compliant wall is attempted as well. Another problem I consider is when a solid is stationary, but a heat transfer occurs on the fluid-solid interface. To model this problem, a conjugate heat transfer framework is introduced. Validation of the framework, as well as studies of an interior thermal environment in a building regulated by an HVAC system with an on/off control model with precooling and multi-zone precooling strategies are presented. The final part of this thesis is devoted to modeling an interaction of acoustic waves with the fluid flow. The development of a spectral-element methodology for solution of Lighthill’s equation, and its application to a problem of leak detection in water pipes is presented.
ContributorsXu, Yiqin (Author) / Peet, Yulia (Thesis advisor) / Huang, Huei-Ping (Committee member) / Herrmann, Marcus (Committee member) / Adrian, Ronald (Committee member) / Baer, Steven (Committee member) / Arizona State University (Publisher)
Created2021