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Description
Shock loading is a complex phenomenon that can lead to failure mechanisms such as strain localization, void nucleation and growth, and eventually spall fracture. Studying incipient stages of spall damage is of paramount importance to accurately determine initiation sites in the material microstructure where damage will nucleate and grow and

Shock loading is a complex phenomenon that can lead to failure mechanisms such as strain localization, void nucleation and growth, and eventually spall fracture. Studying incipient stages of spall damage is of paramount importance to accurately determine initiation sites in the material microstructure where damage will nucleate and grow and to formulate continuum models that account for the variability of the damage process due to microstructural heterogeneity. The length scale of damage with respect to that of the surrounding microstructure has proven to be a key aspect in determining sites of failure initiation. Correlations have been found between the damage sites and the surrounding microstructure to determine the preferred sites of spall damage, since it tends to localize at and around the regions of intrinsic defects such as grain boundaries and triple points. However, considerable amount of work still has to be done in this regard to determine the physics driving the damage at these intrinsic weak sites in the microstructure. The main focus of this research work is to understand the physical mechanisms behind the damage localization at these preferred sites. A crystal plasticity constitutive model is implemented with different damage criteria to study the effects of stress concentration and strain localization at the grain boundaries. A cohesive zone modeling technique is used to include the intrinsic strength of the grain boundaries in the simulations. The constitutive model is verified using single elements tests, calibrated using single crystal impact experiments and validated using bicrystal and multicrystal impact experiments. The results indicate that strain localization is the predominant driving force for damage initiation and evolution. The microstructural effects on theses damage sites are studied to attribute the extent of damage to microstructural features such as grain orientation, misorientation, Taylor factor and the grain boundary planes. The finite element simulations show good correlation with the experimental results and can be used as the preliminary step in developing accurate probabilistic models for damage nucleation.
ContributorsKrishnan, Kapil (Author) / Peralta, Pedro (Thesis advisor) / Mignolet, Marc (Committee member) / Sieradzki, Karl (Committee member) / Jiang, Hanqing (Committee member) / Oswald, Jay (Committee member) / Arizona State University (Publisher)
Created2013
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Description
This dissertation presents methods for addressing research problems that currently can only adequately be solved using Quality Reliability Engineering (QRE) approaches especially accelerated life testing (ALT) of electronic printed wiring boards with applications to avionics circuit boards. The methods presented in this research are generally applicable to circuit boards, but

This dissertation presents methods for addressing research problems that currently can only adequately be solved using Quality Reliability Engineering (QRE) approaches especially accelerated life testing (ALT) of electronic printed wiring boards with applications to avionics circuit boards. The methods presented in this research are generally applicable to circuit boards, but the data generated and their analysis is for high performance avionics. Avionics equipment typically requires 20 years expected life by aircraft equipment manufacturers and therefore ALT is the only practical way of performing life test estimates. Both thermal and vibration ALT induced failure are performed and analyzed to resolve industry questions relating to the introduction of lead-free solder product and processes into high reliability avionics. In chapter 2, thermal ALT using an industry standard failure machine implementing Interconnect Stress Test (IST) that simulates circuit board life data is compared to real production failure data by likelihood ratio tests to arrive at a mechanical theory. This mechanical theory results in a statistically equivalent energy bound such that failure distributions below a specific energy level are considered to be from the same distribution thus allowing testers to quantify parameter setting in IST prior to life testing. In chapter 3, vibration ALT comparing tin-lead and lead-free circuit board solder designs involves the use of the likelihood ratio (LR) test to assess both complete failure data and S-N curves to present methods for analyzing data. Failure data is analyzed using Regression and two-way analysis of variance (ANOVA) and reconciled with the LR test results that indicating that a costly aging pre-process may be eliminated in certain cases. In chapter 4, vibration ALT for side-by-side tin-lead and lead-free solder black box designs are life tested. Commercial models from strain data do not exist at the low levels associated with life testing and need to be developed because testing performed and presented here indicate that both tin-lead and lead-free solders are similar. In addition, earlier failures due to vibration like connector failure modes will occur before solder interconnect failures.
ContributorsJuarez, Joseph Moses (Author) / Montgomery, Douglas C. (Thesis advisor) / Borror, Connie M. (Thesis advisor) / Gel, Esma (Committee member) / Mignolet, Marc (Committee member) / Pan, Rong (Committee member) / Arizona State University (Publisher)
Created2012
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Description
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

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.
ContributorsGhotkar, Rhushikesh (Author) / Milcarek, Ryan (Thesis advisor) / Ermanoski, Ivan (Committee member) / Phelan, Patrick (Committee member) / Wang, Liping (Committee member) / Wang, Robert (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
Aromatic polymers, with benzene-like rings in their main chains, include materials such as polyurea, an amorphous elastomer capable of dissipating large amounts of energy under dynamic loading, which makes it a promising coating for defensive systems. Although computational research exists that investigates the atomic-level response of polyurea and other amorphous

Aromatic polymers, with benzene-like rings in their main chains, include materials such as polyurea, an amorphous elastomer capable of dissipating large amounts of energy under dynamic loading, which makes it a promising coating for defensive systems. Although computational research exists that investigates the atomic-level response of polyurea and other amorphous aromatic polymers to extreme conditions, there is little experimental work to validate these models 1) at the atomic-scale and 2) under high pressures characteristic of extreme dynamic loading. Understanding structure-property relationships at the atomic-level is important for polymers, considering many of them undergo pressure and temperature-induced structural transformations, which must be understood to formulate accurate predictive models. This work aims to gain a deeper understanding of the high-pressure structural response of aromatic polymers at the atomic-level, with emphasis into the mechanisms associated with high-pressure transformations. Hence, atomic-level structural data at high pressures was obtained in situ via multiangle energy dispersive X-ray diffraction (EDXD) experiments at the Advanced Photon Source (APS) for polyurea and another amorphous aromatic polymer, polysulfone, chosen as a reference due to its relatively simple structure. Pressures up to 6 GPa were applied using a Paris Edinburgh (PE) hydraulic press at room temperature. Select polyurea samples were also heated to 277 °C at 6 GPa. The resulting structure factors and pair distribution functions, along with molecular dynamics simulations of polyurea provided by collaborators, suggest that the structures of both polymers are stable up to 6 GPa, aside from reductions in free-volume between polymer backbones. As higher pressures (≲ 32 GPa) were applied using diamond anvils in combination with the PE press, indications of structural transformations were observed in both polymers that appear similar in nature to the sp2-sp3 hybridization in compressed carbon. The transformation occurs gradually up to at least ~ 26 GPa in PSF, while it does not progress past ~ 15 GPa in polyurea. The changes are largely reversible, especially in polysulfone, consistent with pressure-driven, reversible graphite-diamond transformations in the absence of applied temperature. These results constitute some of the first in situ observations of the mechanisms that drive pressure-induced structural transformations in aromatic polymers.
ContributorsEastmond, Tyler (Author) / Peralta, Pedro (Thesis advisor) / Hoover, Christian (Committee member) / Hrubiak, Rostislav (Committee member) / Mignolet, Marc (Committee member) / Oswald, Jay (Committee member) / Arizona State University (Publisher)
Created2022
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Description
Thermal management of electronics is critical to meet the increasing demand for high power and performance. Thermal interface materials (TIMs) play a key role in dissipating heat away from the microelectronic chip and hence are a crucial component in electronics cooling. Challenges persist with overcoming the interfacial boundary resistance and

Thermal management of electronics is critical to meet the increasing demand for high power and performance. Thermal interface materials (TIMs) play a key role in dissipating heat away from the microelectronic chip and hence are a crucial component in electronics cooling. Challenges persist with overcoming the interfacial boundary resistance and filler particle connectivity in TIMs to achieve thermal percolation while maintaining mechanical compliance. Gallium-based liquid metal (LM) capsules offer a unique set of thermal-mechanical characteristics that make them suitable candidates for high-performance TIM fillers. This dissertation research focuses on resolving the fundamental challenges posed by integration of LM fillers in polymer matrix. First, the rupture mechanics of LM capsules under pressure is identified as a key factor that dictates the thermal connectivity between LM-based fillers. This mechanism of oxide “popping” in LM particle beds independent of the matrix material provides insights in overcoming the particle-particle connectivity challenges. Second, the physical barrier introduced due to the polymer matrix needs to be overcome to achieve thermal percolation. Matrix fluid viscosity impacts thermal transport, with high viscosity uncured matrix inhibiting the thermal bridging of fillers. In addition, incorporation of solid metal co-fillers that react with LM fillers is adopted to facilitate popping of LM oxide in uncured polymer to overcome this matrix barrier. Solid silver metal additives are used to rupture the LM oxide, form inter-metallic alloy (IMC), and act as thermal anchors within the matrix. This results in the formation of numerous thermal percolation paths and hence enhances heat transport within the composite. Further, preserving this microstructure of interconnected multiphase filler system with thermally conductive percolation pathways in a cured polymer matrix is critical to designing high-performing TIM pads. Viscosity of the precursor polymer solution prior to curing plays a major role in the resulting thermal conductivity. A multipronged strategy is developed that synergistically combines reactive solid and liquid fillers, a polymer matrix with low pre-cure viscosity, and mechanical compression during thermal curing. The results of this dissertation aim to provide fundamental insights into the integration of LMs in polymer composites and give design knobs to develop high thermally conducting soft composites.
ContributorsUppal, Aastha (Author) / Rykaczewski, Konrad (Thesis advisor) / Wang, Robert (Thesis advisor) / Kwon, Beomjin (Committee member) / Choksi, Gaurang (Committee member) / Phelan, Patrick (Committee member) / Arizona State University (Publisher)
Created2022
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Description
Ultra-fast 2D/3D material microstructure reconstruction and quantitative structure-property mapping are crucial components of integrated computational material engineering (ICME). It is particularly challenging for modeling random heterogeneous materials such as alloys, composites, polymers, porous media, and granular matters, which exhibit strong randomness and variations of their material properties due to

Ultra-fast 2D/3D material microstructure reconstruction and quantitative structure-property mapping are crucial components of integrated computational material engineering (ICME). It is particularly challenging for modeling random heterogeneous materials such as alloys, composites, polymers, porous media, and granular matters, which exhibit strong randomness and variations of their material properties due to the hierarchical uncertainties associated with their complex microstructure at different length scales. Such uncertainties also exist in disordered hyperuniform systems that are statistically isotropic and possess no Bragg peaks like liquids and glasses, yet they suppress large-scale density fluctuations in a similar manner as in perfect crystals. The unique hyperuniform long-range order in these systems endow them with nearly optimal transport, electronic and mechanical properties. The concept of hyperuniformity was originally introduced for many-particle systems and has subsequently been generalized to heterogeneous materials such as porous media, composites, polymers, and biological tissues for unconventional property discovery. An explicit mixture random field (MRF) model is proposed to characterize and reconstruct multi-phase stochastic material property and microstructure simultaneously, where no additional tuning step nor iteration is needed compared with other stochastic optimization approaches such as the simulated annealing. The proposed method is shown to have ultra-high computational efficiency and only requires minimal imaging and property input data. Considering microscale uncertainties, the material reliability will face the challenge of high dimensionality. To deal with the so-called “curse of dimensionality”, efficient material reliability analysis methods are developed. Then, the explicit hierarchical uncertainty quantification model and efficient material reliability solvers are applied to reliability-based topology optimization to pursue the lightweight under reliability constraint defined based on structural mechanical responses. Efficient and accurate methods for high-resolution microstructure and hyperuniform microstructure reconstruction, high-dimensional material reliability analysis, and reliability-based topology optimization are developed. The proposed framework can be readily incorporated into ICME for probabilistic analysis, discovery of novel disordered hyperuniform materials, material design and optimization.
ContributorsGao, Yi (Author) / Liu, Yongming (Thesis advisor) / Jiao, Yang (Committee member) / Ren, Yi (Committee member) / Pan, Rong (Committee member) / Mignolet, Marc (Committee member) / Arizona State University (Publisher)
Created2021
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Description
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,

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.
ContributorsEjaz, Faizan (Author) / Kwon, Beomjin (Thesis advisor) / Zhuang, Houlong (Committee member) / Song, Kenan (Committee member) / Wang, Robert (Committee member) / Kang, Wonmo (Committee member) / Arizona State University (Publisher)
Created2023
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Description
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

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.
ContributorsShah, Najam Ul Hassan (Author) / Rykaczewski, Konrad (Thesis advisor) / Wang, Robert (Thesis advisor) / Phelan, Patrick (Committee member) / Green, Matthew D. (Committee member) / Kwon, Beomjin (Committee member) / Arizona State University (Publisher)
Created2023
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Description
Uncertainty quantification is critical for engineering design and analysis. Determining appropriate ways of dealing with uncertainties has been a constant challenge in engineering. Statistical methods provide a powerful aid to describe and understand uncertainties. This work focuses on applying Bayesian methods and machine learning in uncertainty quantification and prognostics among

Uncertainty quantification is critical for engineering design and analysis. Determining appropriate ways of dealing with uncertainties has been a constant challenge in engineering. Statistical methods provide a powerful aid to describe and understand uncertainties. This work focuses on applying Bayesian methods and machine learning in uncertainty quantification and prognostics among all the statistical methods. This study focuses on the mechanical properties of materials, both static and fatigue, the main engineering field on which this study focuses. This work can be summarized in the following items: First, maintaining the safety of vintage pipelines requires accurately estimating the strength. The objective is to predict the reliability-based strength using nondestructive multimodality surface information. Bayesian model averaging (BMA) is implemented for fusing multimodality non-destructive testing results for gas pipeline strength estimation. Several incremental improvements are proposed in the algorithm implementation. Second, the objective is to develop a statistical uncertainty quantification method for fatigue stress-life (S-N) curves with sparse data.Hierarchical Bayesian data augmentation (HBDA) is proposed to integrate hierarchical Bayesian modeling (HBM) and Bayesian data augmentation (BDA) to deal with sparse data problems for fatigue S-N curves. The third objective is to develop a physics-guided machine learning model to overcome limitations in parametric regression models and classical machine learning models for fatigue data analysis. A Probabilistic Physics-guided Neural Network (PPgNN) is proposed for probabilistic fatigue S-N curve estimation. This model is further developed for missing data and arbitrary output distribution problems. Fourth, multi-fidelity modeling combines the advantages of low- and high-fidelity models to achieve a required accuracy at a reasonable computation cost. The fourth objective is to develop a neural network approach for multi-fidelity modeling by learning the correlation between low- and high-fidelity models. Finally, conclusions are drawn, and future work is outlined based on the current study.
ContributorsChen, Jie (Author) / Liu, Yongming (Thesis advisor) / Chattopadhyay, Aditi (Committee member) / Mignolet, Marc (Committee member) / Ren, Yi (Committee member) / Yan, Hao (Committee member) / Arizona State University (Publisher)
Created2022