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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
Fission products in nuclear fuel pellets can affect fuel performance as they change the fuel chemistry and structure. The behavior of the fission products and their release mechanisms are important to the operation of a power reactor. Research has shown that fission product release can occur through grain boundary (GB)

Fission products in nuclear fuel pellets can affect fuel performance as they change the fuel chemistry and structure. The behavior of the fission products and their release mechanisms are important to the operation of a power reactor. Research has shown that fission product release can occur through grain boundary (GB) at low burnups. Early fission gas release models, which assumed spherical grains with no effect of GB diffusion, did not capture the early stage of the release behavior well. In order to understand the phenomenon at low burnup and how it leads to the later release mechanism, a microstructurally explicit model is needed. This dissertation conducted finite element simulations of the transport behavior using 3-D microstructurally explicit models. It looks into the effects of GB character, with emphases on conditions that can lead to enhanced effective diffusion. Moreover, the relationship between temperature and fission product transport is coupled to reflect the high temperature environment.

The modeling work began with 3-D microstructure reconstruction for three uranium oxide samples with different oxygen stoichiometry: UO2.00 UO2.06 and UO2.14. The 3-D models were created based on the real microstructure of depleted UO2 samples characterized by Electron Backscattering Diffraction (EBSD) combined with serial sectioning. Mathematical equations on fission gas diffusion and heat conduction were studied and derived to simulate the fission gas transport under GB effect. Verification models showed that 2-D elements can be used to model GBs to reduce the number of elements. The effect of each variable, including fuel stoichiometry, temperature, GB diffusion, triple junction diffusion and GB thermal resistance, is verified, and they are coupled in multi-physics simulations to study the transport of fission gas at different radial location of a fuel pellet. It was demonstrated that the microstructural model can be used to incorporate the effect of different physics to study fission gas transport. The results suggested that the GB effect is the most significant at the edge of fuel pellet where the temperature is the lowest. In the high temperature region, the increase in bulk diffusivity due to excess oxygen diminished the effect of GB diffusion.
ContributorsLim, Harn Chyi (Author) / Peralta, Pedro (Thesis advisor) / Jiang, Hanqing (Committee member) / Solanki, Kiran (Committee member) / Arizona State University (Publisher)
Created2014
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Description
This research examines several critical aspects of the so-called "film induced cleavage" model of stress corrosion cracking using silver-gold alloys as the parent-phase material. The model hypothesizes that the corrosion generates a brittle nanoporous film, which subsequently fractures forming a high-speed crack that is injected into the uncorroded parent-phase alloy.

This research examines several critical aspects of the so-called "film induced cleavage" model of stress corrosion cracking using silver-gold alloys as the parent-phase material. The model hypothesizes that the corrosion generates a brittle nanoporous film, which subsequently fractures forming a high-speed crack that is injected into the uncorroded parent-phase alloy. This high speed crack owing to its kinetic energy can penetrate beyond the corroded layer into the parent phase and thus effectively reducing strength of the parent phase. Silver-gold alloys provide an ideal system to study this effect, as hydrogen effect can be ruled out on thermodynamic basis. During corrosion of the silver-gold alloy, the less noble metal i.e. silver is removed from the system leaving behind a nanoporous gold (NPG) layer. In the case of polycrystalline material, this corrosion process proceeds deeper along the grain boundary than the matrix grain. All of the cracks with apparent penetration beyond the corroded (dealloyed) layer are intergranular. Our aim was to study the crack penetration depth along the grain boundary to ascertain whether the penetration occurs past the grain-boundary dealloyed depth. EDS and imaging in high-resolution aberration corrected scanning transmission electron microscope (STEM) and atom probe tomography (APT) have been used to evaluate the grain boundary corrosion depth.

The mechanical properties of monolithic NPG are also studied. The motivation behind this is two-fold. The crack injection depth depends on the speed of the crack formed in the nanoporous layer, which in turn depends on the mechanical properties of the NPG. Also NPG has potential applications in actuation, sensing and catalysis. The measured value of the Young's modulus of NPG with 40 nm ligament size and 28% density was ~ 2.5 GPa and the Poisson's ratio was ~ 0.20. The fracture stress was observed to be ~ 11-13 MPa. There was no significant change observed between these mechanical properties on oxidation of NPG at 1.4 V. The fracture toughness value for the NPG was ~ 10 J/m2. Also dynamic fracture tests showed that the NPG is capable of supporting crack velocities ~ 100 - 180 m/s.
ContributorsBadwe, Nilesh (Author) / Sieradzki, Karl (Thesis advisor) / Peralta, Pedro (Committee member) / Oswald, Jay (Committee member) / Mahajan, Ravi (Committee member) / Arizona State University (Publisher)
Created2014
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Description
Commercially pure (CP) and extra low interstitial (ELI) grade Ti-alloys present excellent corrosion resistance, lightweight, and formability making them attractive materials for expanded use in transportation and medical applications. However, the strength and toughness of CP titanium are affected by relatively small variations in their impurity/solute content (IC), e.g., O,

Commercially pure (CP) and extra low interstitial (ELI) grade Ti-alloys present excellent corrosion resistance, lightweight, and formability making them attractive materials for expanded use in transportation and medical applications. However, the strength and toughness of CP titanium are affected by relatively small variations in their impurity/solute content (IC), e.g., O, Al, and V. This increase in strength is due to the fact that the solute either increases the critical stress required for the prismatic slip systems ({10-10}<1-210>) or activates another slip system ((0001)<11-20>, {10-11}<11-20>). In particular, solute additions such as O can effectively strengthen the alloy but with an attendant loss in ductility by changing the behavior from wavy (cross slip) to planar nature. In order to understand the underlying behavior of strengthening by solutes, it is important to understand the atomic scale mechanism. This dissertation aims to address this knowledge gap through a synergistic combination of density functional theory (DFT) and molecular dynamics. Further, due to the long-range strain fields of the dislocations and the periodicity of the DFT simulation cells, it is difficult to apply ab initio simulations to study the dislocation core structure. To alleviate this issue we developed a multiscale quantum mechanics/molecular mechanics approach (QM/MM) to study the dislocation core. We use the developed QM/MM method to study the pipe diffusion along a prismatic edge dislocation core. Complementary to the atomistic simulations, the Semi-discrete Variational Peierls-Nabarro model (SVPN) was also used to analyze the dislocation core structure and mobility. The chemical interaction between the solute/impurity and the dislocation core is captured by the so-called generalized stacking fault energy (GSFE) surface which was determined from DFT-VASP calculations. By taking the chemical interaction into consideration the SVPN model can predict the dislocation core structure and mobility in the presence and absence of the solute/impurity and thus reveal the effect of impurity/solute on the softening/hardening behavior in alpha-Ti. Finally, to study the interaction of the dislocation core with other planar defects such as grain boundaries (GB), we develop an automated method to theoretically generate GBs in HCP type materials.
ContributorsBhatia, Mehul Anoopkumar (Author) / Solanki, Kiran N (Thesis advisor) / Peralta, Pedro (Committee member) / Jiang, Hanqing (Committee member) / Neithalath, Narayanan (Committee member) / Rajagopalan, Jagannathan (Committee member) / Arizona State University (Publisher)
Created2014
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Description
Gels are three-dimensional polymer networks with entrapped solvent (water etc.). They bear amazing features such as stimuli-responsive (temperature, PH, electric field etc.), high water content and biocompatibility and thus find a lot of applications. To understand the complex physics behind gel's swelling phenomenon, it is important to build up fundamental

Gels are three-dimensional polymer networks with entrapped solvent (water etc.). They bear amazing features such as stimuli-responsive (temperature, PH, electric field etc.), high water content and biocompatibility and thus find a lot of applications. To understand the complex physics behind gel's swelling phenomenon, it is important to build up fundamental mechanical model and extend to complicated cases. In this dissertation, a coupled large deformation and diffusion model regarding gel's swelling behavior is presented. In this model, free-energy of the total gel is constituted by polymer stretching energy and polymer-solvent mixing energy. In-house nonlinear finite element code is implemented with fast computational capability. Complex phenomenon such as buckling and healing of cracked gel by swelling are studied. Due to the wide coverage of polymeric materials and solvents, solvent diffusion in gels not only follows Fickian diffusion law where concentration map is continuous but also follows non-Fickian diffusion law where concentration map shows high gradient. Phenomenological model with viscoelastic polymer constitutive and concentration dependent diffusivity is created. The model well captures this special diffusion phenomenon such as sharp diffusion front and distinctive swollen and unswollen region.
ContributorsZhang, Jiaping (Author) / Jiang, Hanqing (Thesis advisor) / Peralta, Pedro (Committee member) / Dai, Lenore (Committee member) / Rajan, Subramaniam D. (Committee member) / Chawla, Nikhilesh (Committee member) / Arizona State University (Publisher)
Created2012
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Description
The rapid progress of solution-phase synthesis has led colloidal nanocrystals one of the most versatile nanoscale materials, provided opportunities to tailor material's properties, and boosted related technological innovations. Colloidal nanocrystal-based materials have been demonstrated success in a variety of applications, such as LEDs, electronics, solar cells and thermoelectrics. In each

The rapid progress of solution-phase synthesis has led colloidal nanocrystals one of the most versatile nanoscale materials, provided opportunities to tailor material's properties, and boosted related technological innovations. Colloidal nanocrystal-based materials have been demonstrated success in a variety of applications, such as LEDs, electronics, solar cells and thermoelectrics. In each of these applications, the thermal transport property plays a big role. An undesirable temperature rise due to inefficient heat dissipation could lead to deleterious effects on devices' performance and lifetime. Hence, the first project is focused on investigating the thermal transport in colloidal nanocrystal solids. This study answers the question that how the molecular structure of nanocrystals affect the thermal transport, and provides insights for future device designs. In particular, PbS nanocrystals is used as a monitoring system, and the core diameter, ligand length and ligand binding group are systematically varied to study the corresponding effect on thermal transport.

Next, a fundamental study is presented on the phase stability and solid-liquid transformation of metallic (In, Sn and Bi) colloidal nanocrystals. Although the phase change of nanoparticles has been a long-standing research topic, the melting behavior of colloidal nanocrytstals is largely unexplored. In addition, this study is of practical importance to nanocrystal-based applications that operate at elevated temperatures. Embedding colloidal nanocrystals into thermally-stable polymer matrices allows preserving nanocrystal size throughout melt-freeze cycles, and therefore enabling observation of stable melting features. Size-dependent melting temperature, melting enthalpy and melting entropy have all been measured and discussed.

In the next two chapters, focus has been switched to developing colloidal nanocrystal-based phase change composites for thermal energy storage applications. In Chapter 4, a polymer matrix phase change nanocomposite has been created. In this composite, the melting temperature and energy density could be independently controlled by tuning nanocrystal diameter and volume fractions. In Chapter 5, a solution-phase synthesis on metal matrix-metal nanocrytal composite is presented. This approach enables excellent morphological control over nanocrystals and demonstrated a phase change composite with a thermal conductivity 2 - 3 orders of magnitude greater than typical phase change materials, such as organics and molten salts.
ContributorsLiu, Minglu (Author) / Wang, Robert Y (Thesis advisor) / Wang, Liping (Committee member) / Rykaczewski, Konrad (Committee member) / Phelan, Patrick (Committee member) / Dai, Lenore (Committee member) / Arizona State University (Publisher)
Created2015
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Description
The stability of nanocrystalline microstructural features allows structural materials to be synthesized and tested in ways that have heretofore been pursued only on a limited basis, especially under dynamic loading combined with temperature effects. Thus, a recently developed, stable nanocrystalline alloy is analyzed here for quasi-static (<100 s-1) and dynamic

The stability of nanocrystalline microstructural features allows structural materials to be synthesized and tested in ways that have heretofore been pursued only on a limited basis, especially under dynamic loading combined with temperature effects. Thus, a recently developed, stable nanocrystalline alloy is analyzed here for quasi-static (<100 s-1) and dynamic loading (103 to 104 s-1) under uniaxial compression and tension at multiple temperatures ranging from 298-1073 K. After mechanical tests, microstructures are analyzed and possible deformation mechanisms are proposed. Following this, strain and strain rate history effects on mechanical behavior are analyzed using a combination of quasi-static and dynamic strain rate Bauschinger testing. The stable nanocrystalline material is found to exhibit limited flow stress increase with increasing strain rate as compared to that of both pure, coarse grained and nanocrystalline Cu. Further, the material microstructural features, which includes Ta nano-dispersions, is seen to pin dislocation at quasi-static strain rates, but the deformation becomes dominated by twin nucleation at high strain rates. These twins are pinned from further growth past nucleation by the Ta nano-dispersions. Testing of thermal and load history effects on the mechanical behavior reveals that when thermal energy is increased beyond 200 °C, an upturn in flow stress is present at strain rates below 104 s-1. However, in this study, this simple assumption, established 50-years ago, is shown to break-down when the average grain size and microstructural length-scale is decreased and stabilized below 100nm. This divergent strain-rate behavior is attributed to a unique microstructure that alters slip-processes and their interactions with phonons; thus enabling materials response with a constant flow-stress even at extreme conditions. Hence, the present study provides a pathway for designing and synthesizing a new-level of tough and high-energy absorbing materials.
ContributorsTurnage, Scott Andrew (Author) / Solanki, Kiran N (Thesis advisor) / Rajagopalan, Jagannathan (Committee member) / Peralta, Pedro (Committee member) / Darling, Kristopher A (Committee member) / Mignolet, Marc (Committee member) / Arizona State University (Publisher)
Created2017
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Description
Thermodynamic development and balance of plant study is completed for a 30 MW solar thermochemical water splitting process that generates hydrogen gas and electric power. The generalized thermodynamic model includes 23 components and 45 states. Quasi-steady state simulations are completed for design point system sizing, annual performance analysis and sensitivity

Thermodynamic development and balance of plant study is completed for a 30 MW solar thermochemical water splitting process that generates hydrogen gas and electric power. The generalized thermodynamic model includes 23 components and 45 states. Quasi-steady state simulations are completed for design point system sizing, annual performance analysis and sensitivity analysis. Detailed consideration is given to water splitting reaction kinetics with governing equations generalized for use with any redox-active metal oxide material. Specific results for Ceria illustrate particle reduction in two solar receivers for target oxygen partial pressure of 10 Pa and particle temperature of 1773 K at a design point DNI of 900 W/m2. Sizes of the recuperator, steam generator and hydrogen separator are calculated at the design point DNI to achieve 100,000 kg of hydrogen production per day from the plant. The total system efficiency of 39.52% is comprised of 50.7% hydrogen fraction and 19.62% electrical fraction. Total plant capital costs and operating costs are estimated to equate a hydrogen production cost of $4.40 per kg for a 25-year plant life. Sensitivity analysis explores the effect of environmental parameters and design parameters on system performance and cost. Improving recuperator effectiveness from 0.7 to 0.8 is a high-value design modification resulting in a 12.1% decrease in hydrogen cost for a modest 2.0% increase in plant $2.85M. At the same time, system efficiency is relatively inelastic to recuperator effectiveness because 81% of excess heat is recovered from the system for electricity production 39 MWh/day and revenue is $0.04 per kWh. Increasing water inlet pressure up to 20 bar reduces the size and cost of super heaters but further pressure rises increasing pump at a rate that outweighs super heater cost savings.
ContributorsBudama, Vishnu Kumar (Author) / Johnson, Nathan (Thesis advisor) / Stechel, Ellen (Committee member) / Rykaczewski, Konrad (Committee member) / Phelan, Patrick (Committee member) / Wang, Robert (Committee member) / Arizona State University (Publisher)
Created2018
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Description
Additive manufacturing (AM) describes an array of methods used to create a 3D object layer by layer. The increasing popularity of AM in the past decade has been due to its demonstrated potential to increase design flexibility, produce rapid prototypes, and decrease material waste. Temporary supports are an

Additive manufacturing (AM) describes an array of methods used to create a 3D object layer by layer. The increasing popularity of AM in the past decade has been due to its demonstrated potential to increase design flexibility, produce rapid prototypes, and decrease material waste. Temporary supports are an inconvenient necessity in many metal AM parts. These sacrificial structures are used to fabricate large overhangs, anchor the part to the build substrate, and provide a heat pathway to avoid warping. Polymers AM has addressed this issue by using support material that is soluble in an electrolyte that the base material is not. In contrast, metals AM has traditionally approached support removal using time consuming, costly methods such as electrical discharge machining or a dremel.

This work introduces dissolvable supports to single- and multi-material metals AM. The multi-material approach uses material choice to design a functionally graded material where corrosion is the functionality being varied. The single-material approach is the primary focus of this thesis, leveraging already common post-print heat treatments to locally alter the microstructure near the surface. By including a sensitizing agent in the ageing heat treatment, carbon is diffused into the part decreasing the corrosion resistance to a depth equal to at least half the support thickness. In a properly chosen electrolyte, this layer is easily chemically, or electrochemically removed. Stainless steel 316 (SS316) and Inconel 718 are both investigated to study this process using two popular alloys. The microstructure evolution and corrosion properties are investigated for both. For SS316, the effect of applied electrochemical potential is investigated to describe the varying corrosion phenomena induced, and the effect of potential choice on resultant roughness. In summary, a new approach to remove supports from metal AM parts is introduced to decrease costs and further the field of metals AM by expanding the design space.
ContributorsLefky, Christopher (Author) / Hildreth, Owen (Thesis advisor) / Chawla, Nikhilesh (Committee member) / Azeredo, Bruno (Committee member) / Rykaczewski, Konrad (Committee member) / Nian, Qiong (Committee member) / Arizona State University (Publisher)
Created2018
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Description
The objective of this dissertation is to study the use of metamaterials as narrow-band and broadband selective absorbers for opto-thermal and solar thermal energy conversion. Narrow-band selective absorbers have applications such as plasmonic sensing and cancer treatment, while one of the main applications of selective metamaterials with broadband absorption is

The objective of this dissertation is to study the use of metamaterials as narrow-band and broadband selective absorbers for opto-thermal and solar thermal energy conversion. Narrow-band selective absorbers have applications such as plasmonic sensing and cancer treatment, while one of the main applications of selective metamaterials with broadband absorption is efficiently converting solar energy into heat as solar absorbers.

This dissertation first discusses the use of gold nanowires as narrow-band selective metamaterial absorbers. An investigation into plasmonic localized heating indicated that film-coupled gold nanoparticles exhibit tunable selective absorption based on the size of the nanoparticles. By using anodized aluminum oxide templates, aluminum nanodisc narrow-band absorbers were fabricated. A metrology instrument to measure the reflectance and transmittance of micro-scale samples was also developed and used to measure the reflectance of the aluminum nanodisc absorbers (220 µm diameter area). Tuning of the resonance wavelengths of these absorbers can be achieved through changing their geometry. Broadband absorption can be achieved by using a combination of geometries for these metamaterials which would facilitate their use as solar absorbers.

Recently, solar energy harvesting has become a topic of considerable research investigation due to it being an environmentally conscious alternative to fossil fuels. The next section discusses the steady-state temperature measurement of a lab-scale multilayer solar absorber, named metafilm. A lab-scale experimental setup is developed to characterize the solar thermal performance of selective solar absorbers. Under a concentration factor of 20.3 suns, a steady-state temperature of ~500 degrees Celsius was achieved for the metafilm compared to 375 degrees Celsius for a commercial black absorber under the same conditions. Thermal durability testing showed that the metafilm could withstand up to 700 degrees Celsius in vacuum conditions and up to 400 degrees Celsius in atmospheric conditions with little degradation of its optical and radiative properties. Moreover, cost analysis of the metafilm found it to cost significantly less ($2.22 per square meter) than commercial solar coatings ($5.41-100 per square meter).

Finally, this dissertation concludes with recommendations for further studies like using these selective metamaterials and metafilms as absorbers and emitters and using the aluminum nanodiscs on glass as selective filters for photovoltaic cells to enhance solar thermophotovoltaic energy conversion.
ContributorsAlshehri, Hassan (Author) / Wang, Liping (Thesis advisor) / Phelan, Patrick (Committee member) / Rykaczewski, Konrad (Committee member) / Wang, Robert (Committee member) / Yu, Hongbin (Committee member) / Arizona State University (Publisher)
Created2018