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- All Subjects: engineering
- All Subjects: Lithium ion batteries
- Creators: Sieradzki, Karl
- Status: Published
Description
The electrode-electrolyte interface in electrochemical environments involves the understanding of complex processes relevant for all electrochemical applications. Some of these processes include electronic structure, charge storage, charge transfer, solvent dynamics and structure and surface adsorption. In order to engineer electrochemical systems, no matter the function, requires fundamental intuition of all the processes at the interface. The following work presents different systems in which the electrode-electrolyte interface is highly important. The first is a charge storage electrode utilizing percolation theory to develop an electrode architecture producing high capacities. This is followed by Zn deposition in an ionic liquid in which the deposition morphology is highly dependant on the charge transfer and surface adsorption at the interface. Electrode Architecture: A three-dimensional manganese oxide supercapacitor electrode architecture is synthesized by leveraging percolation theory to develop a hierarchically designed tri-continuous percolated network. The three percolated phases include a faradaically-active material, electrically conductive material and pore-former templated void space. The micropores create pathways for ionic conductivity, while the nanoscale electrically conducting phase provides both bulk conductivity and local electron transfer with the electrochemically active phase. Zn Electrodeposition: Zn redox in air and water stable N-ethyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, [C2nmm][NTf2] is presented. Under various conditions, characterization of overpotential, kinetics and diffusion of Zn species and morphological evolution as a function of overpotential and Zn concentration are analyzed. The surface stress evolution during Zn deposition is examined where grain size and texturing play significant rolls in compressive stress generation. Morphological repeatability in the ILs led to a novel study of purity in ionic liquids where it is found that surface adsorption of residual amine and chloride from the organic synthesis affect growth characteristics. The drivers of this work are to understand the processes occurring at the electrode-electrolyte interface and with that knowledge, engineer systems yielding optimal performance. With this in mind, the design of a bulk supercapacitor electrode architecture with excellent composite specific capacitances, as well as develop conditions producing ideal Zn deposition morphologies was completed.
ContributorsEngstrom, Erika (Author) / Friesen, Cody (Thesis advisor) / Buttry, Daniel (Committee member) / Sieradzki, Karl (Committee member) / Arizona State University (Publisher)
Created2011
Description
ABSTRACT The behavior of the fission products, as they are released from fission events during nuclear reaction, plays an important role in nuclear fuel performance. Fission product release can occur through grain boundary (GB) at low burnups; therefore, this study simulates the mass transport of fission gases in a 2-D GB network to look into the effects of GB characteristics on this phenomenon, with emphasis on conditions that can lead to percolation. A finite element model was created based on the microstructure of a depleted UO2 sample characterized by Electron Backscattering Diffraction (EBSD). The GBs were categorized into high (D2), low (D1) and bulk diffusivity (Dbulk) based on their misorientation angles and Coincident Site Lattice (CSL) types. The simulation was run using different diffusivity ratios (D2/Dbulk) ranging from 1 to 10^8. The model was set up in three ways: constant temperature case, temperature gradient effects and window methods that mimic the environments in a Light Water Reactor (LWR). In general, the formation of percolation paths was observed at a ratio higher than 10^4 in the measured GB network, which had a 68% fraction of high diffusivity GBs. The presence of temperature gradient created an uneven concentration distribution and decreased the overall mass flux. Finally, radial temperature and fission gas concentration profiles were obtained for a fuel pellet in operation using an approximate 1-D model. The 100 µm long microstructurally explicit model was used to simulate, to the scale of a real UO2 pellet, the mass transport at different radial positions, with boundary conditions obtained from the profiles. Stronger percolation effects were observed at the intermediate and periphery position of the pellet. The results also showed that highest mass flux happens at the edge of a pellet at steady state to accommodate for the sharp concentration drop.
ContributorsLim, Harn Chyi (Author) / Peralta, Pedro (Thesis advisor) / Dey, Sandwip (Committee member) / Sieradzki, Karl (Committee member) / Arizona State University (Publisher)
Created2011
Description
This work investigates in-situ stress evolution of interfacial and bulk processes in electrochemical systems, and is divided into two projects. The first project examines the electrocapillarity of clean and CO-covered electrodes. It also investigates surface stress evolution during electro-oxidation of CO at Pt{111}, Ru/Pt{111} and Ru{0001} electrodes. The second project explores the evolution of bulk stress that occurs during intercalation (extraction) of lithium (Li) and formation of a solid electrolyte interphase during electrochemical reduction (oxidation) of Li at graphitic electrodes. Electrocapillarity measurements have shown that hydrogen and hydroxide adsorption are compressive on Pt{111}, Ru/Pt{111}, and Ru{0001}. The adsorption-induced surface stresses correlate strongly with adsorption charge. Electrocatalytic oxidation of CO on Pt{111} and Ru/Pt{111} gives a tensile surface stress. A numerical method was developed to separate both current and stress into background and active components. Applying this model to the CO oxidation signal on Ru{0001} gives a tensile surface stress and elucidates the rate limiting steps on all three electrodes. The enhanced catalysis of Ru/Pt{111} is confirmed to be bi-functional in nature: Ru provides adsorbed hydroxide to Pt allowing for rapid CO oxidation. The majority of Li-ion batteries have anodes consisting of graphite particles with polyvinylidene fluoride (PVDF) as binder. Intercalation of Li into graphite occurs in stages and produces anisotropic strains. As batteries have a fixed size and shape these strains are converted into mechanical stresses. Conventionally staging phenomena has been observed with X-ray diffraction and collaborated electrochemically with the potential. Work herein shows that staging is also clearly observed in stress. The Li staging potentials as measured by differential chronopotentiometry and stress are nearly identical. Relative peak heights of Li staging, as measured by these two techniques, are similar during reduction, but differ during oxidation due to non-linear stress relaxation phenomena. This stress relaxation appears to be due to homogenization of Li within graphite particles rather than viscous flow of the binder. The first Li reduction wave occurs simultaneously with formation of a passivating layer known as the solid electrolyte interphase (SEI). Preliminary experiments have shown the stress of SEI formation to be tensile (~+1.5 MPa).
ContributorsMickelson, Lawrence (Author) / Friesen, Cody (Thesis advisor) / Sieradzki, Karl (Committee member) / Buttry, Daniel (Committee member) / Venables, John (Committee member) / Arizona State University (Publisher)
Created2011
Description
A full understanding of material behavior is important for the prediction of residual useful life of aerospace structures via computational modeling. In particular, the influence of rolling-induced anisotropy on fatigue properties has not been studied extensively and it is likely to have a meaningful effect. In this work, fatigue behavior of a wrought Al alloy (2024-T351) is studied using notched uniaxial samples with load axes along either the longitudinal or transverse direction, and center notched biaxial samples (cruciforms) with a uniaxial stress state of equivalent amplitude about the bore. Local composition and crystallography were quantified before testing using Energy Dispersive Spectroscopy and Electron Backscattering Diffraction. Interrupted fatigue testing at stresses close to yielding was performed on the samples to nucleate and propagate short cracks and nucleation sites were located and characterized using standard optical and Scanning Electron Microscopy. Results show that crack nucleation occurred due to fractured particles for longitudinal dogbone/cruciform samples; while transverse samples nucleated cracks by debonded and fractured particles. Change in crack nucleation mechanism is attributed to dimensional change of particles with respect to the material axes caused by global anisotropy. Crack nucleation from debonding reduced life till matrix fracture because debonded particles are sharper and generate matrix cracks sooner than their fractured counterparts. Longitudinal samples experienced multisite crack initiation because of reduced cross sectional areas of particles parallel to the loading direction. Conversely the favorable orientation of particles in transverse samples reduced instances of particle fracture eliminating multisite cracking and leading to increased fatigue life. Cyclic tests of cruciform samples showed that crack growth favors longitudinal and transverse directions with few instances of crack growth 45 degrees (diagonal) to the rolling direction. The diagonal crack growth is attributed to stronger influences of local anisotropy on crack nucleation. It was observed that majority of the time crack nucleation is governed by the mixed influences of global and local anisotropies. Measurements of crystal directions parallel to the load on main crack paths revealed directions clustered near the {110} planes and high index directions. This trend is attributed to environmental effects as a result of cyclic testing in air.
ContributorsMakaš, Admir (Author) / Peralta, Pedro D. (Thesis advisor) / Davidson, Joseph K. (Committee member) / Sieradzki, Karl (Committee member) / Arizona State University (Publisher)
Created2011
Description
Dealloying induced stress corrosion cracking is particularly relevant in energy conversion systems (both nuclear and fossil fuel) as many failures in alloys such as austenitic stainless steel and nickel-based systems result directly from dealloying. This study provides evidence of the role of unstable dynamic fracture processes in dealloying induced stress-corrosion cracking of face-centered cubic alloys. Corrosion of such alloys often results in the formation of a brittle nanoporous layer which we hypothesize serves to nucleate a crack that owing to dynamic effects penetrates into the un-dealloyed parent phase alloy. Thus, since there is essentially a purely mechanical component of cracking, stress corrosion crack propagation rates can be significantly larger than that predicted from electrochemical parameters. The main objective of this work is to examine and test this hypothesis under conditions relevant to stress corrosion cracking. Silver-gold alloys serve as a model system for this study since hydrogen effects can be neglected on a thermodynamic basis, which allows us to focus on a single cracking mechanism. In order to study various aspects of this problem, the dynamic fracture properties of monolithic nanoporous gold (NPG) were examined in air and under electrochemical conditions relevant to stress corrosion cracking. The detailed processes associated with the crack injection phenomenon were also examined by forming dealloyed nanoporous layers of prescribed properties on un-dealloyed parent phase structures and measuring crack penetration distances. Dynamic fracture in monolithic NPG and in crack injection experiments was examined using high-speed (106 frames s-1) digital photography. The tunable set of experimental parameters included the NPG length scale (20-40 nm), thickness of the dealloyed layer (10-3000 nm) and the electrochemical potential (0.5-1.5 V). The results of crack injection experiments were characterized using the dual-beam focused ion beam/scanning electron microscopy. Together these tools allow us to very accurately examine the detailed structure and composition of dealloyed grain boundaries and compare crack injection distances to the depth of dealloying. The results of this work should provide a basis for new mathematical modeling of dealloying induced stress corrosion cracking while providing a sound physical basis for the design of new alloys that may not be susceptible to this form of cracking. Additionally, the obtained results should be of broad interest to researchers interested in the fracture properties of nano-structured materials. The findings will open up new avenues of research apart from any implications the study may have for stress corrosion cracking.
ContributorsSun, Shaofeng (Author) / Sieradzki, Karl (Thesis advisor) / Jiang, Hanqing (Committee member) / Peralta, Pedro (Committee member) / Arizona State University (Publisher)
Created2012
Description
The focus of this investigation includes three aspects. First, the development of nonlinear reduced order modeling techniques for the prediction of the response of complex structures exhibiting "large" deformations, i.e. a geometrically nonlinear behavior, and modeled within a commercial finite element code. The present investigation builds on a general methodology, successfully validated in recent years on simpler panel structures, by developing a novel identification strategy of the reduced order model parameters, that enables the consideration of the large number of modes needed for complex structures, and by extending an automatic strategy for the selection of the basis functions used to represent accurately the displacement field. These novel developments are successfully validated on the nonlinear static and dynamic responses of a 9-bay panel structure modeled within Nastran. In addition, a multi-scale approach based on Component Mode Synthesis methods is explored. Second, an assessment of the predictive capabilities of nonlinear reduced order models for the prediction of the large displacement and stress fields of panels that have a geometric discontinuity; a flat panel with a notch was used for this assessment. It is demonstrated that the reduced order models of both virgin and notched panels provide a close match of the displacement field obtained from full finite element analyses of the notched panel for moderately large static and dynamic responses. In regards to stresses, it is found that the notched panel reduced order model leads to a close prediction of the stress distribution obtained on the notched panel as computed by the finite element model. Two enrichment techniques, based on superposition of the notch effects on the virgin panel stress field, are proposed to permit a close prediction of the stress distribution of the notched panel from the reduced order model of the virgin one. A very good prediction of the full finite element results is achieved with both enrichments for static and dynamic responses. Finally, computational challenges associated with the solution of the reduced order model equations are discussed. Two alternatives to reduce the computational time for the solution of these problems are explored.
ContributorsPerez, Ricardo Angel (Author) / Mignolet, Marc (Thesis advisor) / Oswald, Jay (Committee member) / Spottswood, Stephen (Committee member) / Peralta, Pedro (Committee member) / Jiang, Hanqing (Committee member) / Arizona State University (Publisher)
Created2012
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 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
Description
This research focuses on the stress and structure evolution observed in-situ during the earliest stages of thin film growth in Cu on Au(111)-reconstruction. For the research, an ultra high vacuum-scanning tunneling microscopy (UHV-STM) system was modified to have the additional capabilities of in-situ deposition and in-situ stress evolution monitoring. The design and fabrication processes for the modifications are explained in detail. The deposition source enabled imaging during the deposition of Cu thin films, while also being columnar enough to avoid negatively impacting the function of the microscope. It was found that the stress-induced changes in piezo voltage occurred over a substantially longer time scale and larger piezo scale than used during imaging, allowing for the deconvolution of the two sources of piezo voltage change. The intrinsic stress evolution observed at the onset of Cu growth was tensile in character and reached a maximum of 0.19 N/m at approximately 0.8ML, with an average tensile slope of 1.0GPa. As the film thickness increased beyond 0.8 ML, the stress became less tensile as the observation of disordered stripe and trigon patterns of misfit dislocations began to appear. The transport of atoms from the surface of enlarged Cu islands into the strained layer played an important role in this stage, because they effectively reduce the activation barrier for the formation of the observed surface structures. A rich array of structures were observed in the work presented here including stripe, disordered stripe and trigon patterns co-existing in a single Cu layer. Heteroepitaxial systems in existing literature showed a uniform structure in the single layer. The non-uniform structures in the single layer of this work may be attributed to the room temperature Cu growth, which can kinetically limit uniform pattern formation. The development of the UHV-STM system with additional capabilities for this work is expected to contribute to research for the stress and structure relationships of many other heteroepitaxial systems.
ContributorsNah, Jungwoo (Author) / Friesen, Cody (Thesis advisor) / Sieradzki, Karl (Committee member) / Bennett, Peter (Committee member) / Arizona State University (Publisher)
Created2012
Description
Lithium-ion batteries can fail and catch fire when overcharged, exposed to high temperatures or short-circuited due to the highly flammable organic liquid used in the electrolyte. Using inorganic solid electrolyte materials can potentially improve the safety factor. Additionally, nanostructured electrolyte materials may further enhanced performance by taking advantage of their large aspect ratio. In this work, the synthesis of two promising nanostructured solid electrolyte materials was explored. Amorphous lithium niobate nanowires were synthesized through the decomposition of a niobium-containing complex in a structure-directing solvent using a reflux method. Lithium lanthanum titanate was obtained via solid state reaction with titanium oxide nanowires as the titanium precursor, but the nanowire morphology could not be preserved due to high temperature sintering. Hyperbranched potassium lanthanum titanate was synthesized through hydrothermal route. This was the first time that hyperbranched nanowires with perovskite structure were made without any catalyst or substrate. This result has the potential to be applied to other perovskite materials.
ContributorsYang, Ting (Author) / Chan, Candace K. (Thesis advisor) / Crozier, Peter A. (Committee member) / Sieradzki, Karl (Committee member) / Arizona State University (Publisher)
Created2012
Description
High Pressure Superheater 1 (HPSH1) is the first heat exchange tube bank inside the Heat Recovery Steam Generator (HRSG) to encounter exhaust flue gas from the gas turbine of a Combined Cycle Power Plant. Steam flowing through the HPSH1 gains heat from the flue gas prior to entering the steam turbine. During cold start-ups, rapid temperature changes in operating condition give rise to significant temperature gradients in the thick-walled components of HPSH1 (manifolds, links, and headers). These temperature gradients produce thermal-structural stresses in the components. The resulting high cycle fatigue is a major concern as this can lead to premature failure of the components. The main objective of this project was to address the thermal-structural stress field induced in HPSH1 during a typical cold start-up transient. To this end, computational fluid dynamics (CFD) was used to carry out the thermal-fluid analysis of HPSH1. The calculated temperature distributions in the component walls were the primary inputs for the finite element (FEA) model that performed structural analysis. Thermal-structural analysis was initially carried out at full-load steady state condition in order to gain confidence in the CFD and FEA methodologies. Results of the full-load steady state thermal-fluid analysis were found in agreement with the temperature values measured at specific locations on the outer surfaces of the inlet links and outlet manifold. It was found from the subsequent structural analysis that peak effective stresses were located at the connecting regions of the components and were well below the allowed stress values. Higher temperature differences were observed between the thick-walled HPSH1 components during the cold start-up transient as compared to the full-load steady state operating condition. This was because of the rapid temperature changes that occurred, especially in the steam temperature at the HPSH1 entry, and the different rates of heating or cooling for components with different wall thicknesses. Results of the transient thermal-fluid analysis will be used in future to perform structural analysis of the HPSH1. The developed CFD and FEA models are capable of analyzing various other transients (e.g., hot start-up and shut-down) and determine their influence on the durability of plant components.
ContributorsHardeep Singh (Author) / Roy, Ramendra P. (Thesis advisor) / Lee, Taewoo (Thesis advisor) / Mignolet, Marc (Committee member) / Arizona State University (Publisher)
Created2012