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- All Subjects: Materials Science
- Creators: Jiang, Hanqing
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) 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.
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
Description
The Very High Temperature Reactor (VHTR) is one of six conceptual designs proposed for Generation IV nuclear reactors. Alloy 617, a solid solution strengthened Ni-base superalloy, is currently the primary candidate material for the tubing of the Intermediate Heat Exchanger (IHX) in the VHTR design. Steady-state operation of the nuclear power plant at elevated temperatures leads to creep deformation, whereas loading transients including startup and shutdown generate fatigue. A detailed understanding of the creep-fatigue interaction in Alloy 617 is necessary before it can be considered as a material for nuclear construction in ASME Boiler and Pressure Vessel Code. Current design codes for components undergoing creep-fatigue interaction at elevated temperatures require creep-fatigue testing data covering the entire range from fatigue-dominant to creep-dominant loading. Classical strain-controlled tests, which produce stress relaxation during the hold period, show a saturation in cycle life with increasing hold periods due to the rapid stress-relaxation of Alloy 617 at high temperatures. Therefore, applying longer hold time in these tests cannot generate creep-dominated failure. In this study, uniaxial isothermal creep-fatigue tests with non-traditional loading waveforms were designed and performed at 850 and 950°C, with an objective of generating test data in the creep-dominant regime. The new loading waveforms are hybrid strain-controlled and force-controlled testing which avoid stress relaxation during the creep hold. The experimental data showed varying proportions of creep and fatigue damage, and provided evidence for the inadequacy of the widely-used time fraction rule for estimating creep damage under creep-fatigue conditions. Micro-scale damage features in failed test specimens, such as fatigue cracks and creep voids, were quantified using a Scanning Electron Microscope (SEM) to find a correlation between creep and fatigue damage. Quantitative statistical imaging analysis showed that the microstructural damage features (cracks and voids) are correlated with a new mechanical driving force parameter. The results from this image-based damage analysis were used to develop a phenomenological life-prediction methodology called the effective time fraction approach. Finally, the constitutive creep-fatigue response of the material at 950°C was modeled using a unified viscoplastic model coupled with a damage accumulation model. The simulation results were used to validate an energy-based constitutive life-prediction model, as a mechanistic model for potential component and structure level creep-fatigue analysis.
ContributorsTahir, Fraaz (Author) / Liu, Yongming (Thesis advisor) / Jiang, Hanqing (Committee member) / Rajagopalan, Jagannathan (Committee member) / Oswald, Jay (Committee member) / Jiao, Yang (Committee member) / Arizona State University (Publisher)
Created2017
Description
With the maturity of advanced composites as feasible structural materials for various applications there is a critical need to solve the challenge of designing these material systems for optimal performance. However, determining superior design methods requires a deep understanding of the material-structure properties at various length scales. Due to the length-scale dependent behavior of advanced composites, multiscale modeling techniques may be used to describe the dominant mechanisms of damage and failure in these material systems. With polymer matrix fiber composites and nanocomposites it becomes essential to include even the atomic length scale, where the resin-hardener-nanofiller molecules interact, in the multiscale modeling framework. Additionally, sources of variability are also critical to be included in these models due to the important role of uncertainty in advance composite behavior. Such a methodology should be able to describe length scale dependent mechanisms in a computationally efficient manner for the analysis of practical composite structures.
In the research presented in this dissertation, a comprehensive nano to macro multiscale framework is developed for the mechanical and multifunctional analysis of advanced composite materials and structures. An atomistically informed statistical multiscale model is developed for linear problems, to estimate and scale elastic properties of carbon fiber reinforced polymer composites (CFRPs) and carbon nanotube (CNT) enhanced CFRPs using information from molecular dynamics simulation of the resin-hardener-nanofiller nanoscale system. For modeling inelastic processes, an atomistically informed coupled damage-plasticity model is developed using the framework of continuum damage mechanics, where fundamental nanoscale covalent bond disassociation information is scaled up as a continuum scale damage identifying parameter. This damage model is coupled with a nanocomposite microstructure generation algorithm to study the sub-microscale damage mechanisms in CNT/CFRP microstructures. It is further integrated in a generalized method of cells (GMC) micromechanics model to create a low-fidelity computationally efficient nonlinear multiscale method with imperfect interfaces between the fiber and matrix, where the interface behavior is adopted from nanoscale MD simulations. This algorithm is used to understand damage mechanisms in adhesively bonded composite joints as a case study for the comprehensive nano to macroscale structural analysis of practical composites structures. At each length scale sources of variability are identified, characterized, and included in the multiscale modeling framework.
In the research presented in this dissertation, a comprehensive nano to macro multiscale framework is developed for the mechanical and multifunctional analysis of advanced composite materials and structures. An atomistically informed statistical multiscale model is developed for linear problems, to estimate and scale elastic properties of carbon fiber reinforced polymer composites (CFRPs) and carbon nanotube (CNT) enhanced CFRPs using information from molecular dynamics simulation of the resin-hardener-nanofiller nanoscale system. For modeling inelastic processes, an atomistically informed coupled damage-plasticity model is developed using the framework of continuum damage mechanics, where fundamental nanoscale covalent bond disassociation information is scaled up as a continuum scale damage identifying parameter. This damage model is coupled with a nanocomposite microstructure generation algorithm to study the sub-microscale damage mechanisms in CNT/CFRP microstructures. It is further integrated in a generalized method of cells (GMC) micromechanics model to create a low-fidelity computationally efficient nonlinear multiscale method with imperfect interfaces between the fiber and matrix, where the interface behavior is adopted from nanoscale MD simulations. This algorithm is used to understand damage mechanisms in adhesively bonded composite joints as a case study for the comprehensive nano to macroscale structural analysis of practical composites structures. At each length scale sources of variability are identified, characterized, and included in the multiscale modeling framework.
ContributorsRai, Ashwin (Author) / Chattopadhyay, Aditi (Thesis advisor) / Dai, Lenore (Committee member) / Jiang, Hanqing (Committee member) / Rajadas, John (Committee member) / Fard, Masoud Yekani (Committee member) / Arizona State University (Publisher)
Created2018
Description
Flexible conducting materials have been in the forefront of a rapidly transforming electronics industry, focusing on wearable devices for a variety of applications in recent times. Over the past few decades, bulky, rigid devices have been replaced with a surging demand for thin, flexible, light weight, ultra-portable yet high performance electronics. The interconnects available in the market today only satisfy a few of the desirable characteristics, making it necessary to compromise one feature over another. In this thesis, a method to prepare a thin, flexible, and stretchable inter-connect is presented with improved conductivity compared to previous achievements. It satisfies most mechanical and electrical conditions desired in the wearable electronics industry. The conducting composite, prepared with the widely available, low cost silicon-based organic polymer - polydimethylsiloxane (PDMS) and silver (Ag), is sandwiched between two cured PDMS layers. These protective layers improve the mechanical stability of the inter-connect. The structure can be stretched up to 120% of its original length which can further be enhanced to over 250% by cutting it into a serpentine shape without compromising its electrical stability. The inter-connect, around 500 µm thick, can be integrated into thin electronic packaging. The synthesis process of the composite material, along with its electrical and mechanical and properties are presented in detail. Testing methods and results for mechanical and electrical stability are also illustrated over extensive flexing and stretching cycles. The materials put into test, along with conductive silver (Ag) - polydimethylsiloxane (PDMS) composite in a sandwich structure, are copper foils, copper coated polyimide (PI) and aluminum (Al) coated polyethylene terephthalate (PET).
ContributorsNandy, Mayukh (Author) / Yu, Hongbin (Thesis advisor) / Chan, Candace (Committee member) / Jiang, Hanqing (Committee member) / Arizona State University (Publisher)
Created2020
Description
Soft materials are matters that can easily deform from their original shapes and structures under thermal or mechanical stresses, and they range across various groups of materials including liquids, foams, gels, colloids, polymers, and biological substances. Although soft materials already have numerous applications with each of their unique characteristics, integrating materials to achieve complementary functionalities is still a growing need for designing advanced applications of complex requirements. This dissertation explores a unique approach of utilizing intermolecular interactions to accomplish not only the multifunctionality from combined materials but also their tailored properties designed for specific tasks. In this work, multifunctional soft materials are explored in two particular directions, ionic liquids (ILs)-based mixtures and interpenetrating polymer network (IPN).
First, ILs-based mixtures were studied to develop liquid electrolytes for molecular electronic transducers (MET) in planetary exploration. For space missions, it is challenging to operate any liquid electrolytes in an extremely low-temperature environment. By tuning intermolecular interactions, the results demonstrated a facile method that has successfully overcome the thermal and transport barriers of ILs-based mixtures at extremely low temperatures. Incorporation of both aqueous and organic solvents in ILs-based electrolyte systems with varying types of intermolecular interactions are investigated, respectively, to yield optimized material properties supporting not only MET sensors but also other electrochemical devices with iodide/triiodide redox couple targeting low temperatures.
Second, an environmentally responsive hydrogel was synthesized via interpenetrating two crosslinked polymer networks. The intermolecular interactions facilitated by such an IPN structure enables not only an upper critical solution temperature (UCST) transition but also a mechanical enhancement of the hydrogel. The incorporation of functional units validates a positive swelling response to visible light and also further improves the mechanical properties. This studied IPN system can serve as a promising route in developing “smart” hydrogels utilizing visible light as a simple, inexpensive, and remotely controllable stimulus.
Over two directions across from ILs to polymeric networks, this work demonstrates an effective strategy of utilizing intermolecular interactions to not only develop multifunctional soft materials for advanced applications but also discover new properties beyond their original boundaries.
First, ILs-based mixtures were studied to develop liquid electrolytes for molecular electronic transducers (MET) in planetary exploration. For space missions, it is challenging to operate any liquid electrolytes in an extremely low-temperature environment. By tuning intermolecular interactions, the results demonstrated a facile method that has successfully overcome the thermal and transport barriers of ILs-based mixtures at extremely low temperatures. Incorporation of both aqueous and organic solvents in ILs-based electrolyte systems with varying types of intermolecular interactions are investigated, respectively, to yield optimized material properties supporting not only MET sensors but also other electrochemical devices with iodide/triiodide redox couple targeting low temperatures.
Second, an environmentally responsive hydrogel was synthesized via interpenetrating two crosslinked polymer networks. The intermolecular interactions facilitated by such an IPN structure enables not only an upper critical solution temperature (UCST) transition but also a mechanical enhancement of the hydrogel. The incorporation of functional units validates a positive swelling response to visible light and also further improves the mechanical properties. This studied IPN system can serve as a promising route in developing “smart” hydrogels utilizing visible light as a simple, inexpensive, and remotely controllable stimulus.
Over two directions across from ILs to polymeric networks, this work demonstrates an effective strategy of utilizing intermolecular interactions to not only develop multifunctional soft materials for advanced applications but also discover new properties beyond their original boundaries.
ContributorsXu, Yifei (Author) / Dai, Lenore L. (Thesis advisor) / Forzani, Erica (Committee member) / Holloway, Julianne (Committee member) / Jiang, Hanqing (Committee member) / Zhuang, Houlong (Committee member) / Arizona State University (Publisher)
Created2020
Description
Extensive efforts have been devoted to understanding material failure in the last several decades. A suitable numerical method and specific failure criteria are required for failure simulation. The finite element method (FEM) is the most widely used approach for material mechanical modelling. Since FEM is based on partial differential equations, it is hard to solve problems involving spatial discontinuities, such as fracture and material interface. Due to their intrinsic characteristics of integro-differential governing equations, discontinuous approaches are more suitable for problems involving spatial discontinuities, such as lattice spring method, discrete element method, and peridynamics. A recently proposed lattice particle method is shown to have no restriction of Poisson’s ratio, which is very common in discontinuous methods. In this study, the lattice particle method is adopted to study failure problems. In addition of numerical method, failure criterion is essential for failure simulations. In this study, multiaxial fatigue failure is investigated and then applied to the adopted method. Another critical issue of failure simulation is that the simulation process is time-consuming. To reduce computational cost, the lattice particle method can be partly replaced by neural network model.First, the development of a nonlocal maximum distortion energy criterion in the framework of a Lattice Particle Model (LPM) is presented for modeling of elastoplastic materials. The basic idea is to decompose the energy of a discrete material point into dilatational and distortional components, and plastic yielding of bonds associated with this material point is assumed to occur only when the distortional component reaches a critical value. Then, two multiaxial fatigue models are proposed for random loading and biaxial tension-tension loading, respectively. Following this, fatigue cracking in homogeneous and composite materials is studied using the lattice particle method and the proposed multiaxial fatigue model. Bi-phase material fatigue crack simulation is performed. Next, an integration of an efficient deep learning model and the lattice particle method is presented to predict fracture pattern for arbitrary microstructure and loading conditions. With this integration, computational accuracy and efficiency are both considered. Finally, some conclusion and discussion based on this study are drawn.
ContributorsWei, Haoyang (Author) / Liu, Yongming (Thesis advisor) / Chattopadhyay, Aditi (Committee member) / Jiang, Hanqing (Committee member) / Jiao, Yang (Committee member) / Oswald, Jay (Committee member) / Arizona State University (Publisher)
Created2021
Description
A method for modelling the interactions of dislocations with inclusions has been developed to analyse toughening mechanisms in alloys. This method is different from the superposition method in that infinite domain solutions and image stress fields are not superimposed. The method is based on the extended finite element method (XFEM) in which the dislocations are modelled according to the Volterra dislocation model. Interior discontinuities are introduced across dislocation glide planes using enrichment functions and the resulting boundary value problem is solved through the standard finite element variational approach. The level set method is used to describe the geometry of the dislocation glide planes without any explicit treatment of the interface geometry which provides a convenient and an appealing means for describing the dislocation. A method for estimating the Peach-Koehler force by the domain form of J-integral is considered. The convergence and accuracy of the method are studied for an edge dislocation interacting with a free surface where analytical solutions are available. The force converges to the exact solution at an optimal rate for linear finite elements. The applicability of the method to dislocation interactions with inclusions is illustrated with a system of Aluminium matrix containing Aluminium-copper precipitates. The effect of size, shape and orientation of the inclusions on an edge dislocation for a difference in stiffness and coefficient of thermal expansion of the inclusions and matrix is considered. The force on the dislocation due to a hard inclusion increased by 8% in approaching the sharp corners of a square inclusion than a circular inclusion of equal area. The dislocation experienced 24% more force in moving towards the edges of a square shaped inclusion than towards its centre. When the areas of the inclusions were halved, 30% less force was exerted on the dislocation. This method was used to analyse interfaces with mismatch strains. Introducing eigenstrains equal to 0.004 to the elastic mismatch increased the force by 15 times for a circular inclusion. The energy needed to move an edge dislocation through a domain filled with circular inclusions is 4% more than that needed for a domain with square shaped inclusions.
ContributorsVeeresh, Pawan (Author) / Oswald, Jay (Thesis advisor) / Jiang, Hanqing (Committee member) / Liu, Yongming (Committee member) / Arizona State University (Publisher)
Created2016
Description
Energy harvesting from ambient is important to configuring Wireless Sensor Networks (WSN) for environmental data collecting. In this work, highly flexible thermoelectric generators (TEGs) have been studied and fabricated to supply power to the wireless sensor notes used for data collecting in hot spring environment. The fabricated flexible TEGs can be easily deployed on the uneven surface of heated rocks at the rim of hot springs. By employing the temperature gradient between the hot rock surface and the air, these TEGs can generate power to extend the battery lifetime of the sensor notes and therefore reduce multiple batteries changes where the environment is usually harsh in hot springs. Also, they show great promise for self-powered wireless sensor notes. Traditional thermoelectric material bismuth telluride (Bi2Te3) and advanced MEMS (Microelectromechanical systems) thin film techniques were used for the fabrication. Test results show that when a flexible TEG array with an area of 3.4cm2 was placed on the hot plate surface of 80°C in the air under room temperature, it had an open circuit voltage output of 17.6mV and a short circuit current output of 0.53mA. The generated power was approximately 7mW/m2.
On the other hand, high pressure, temperatures that can reach boiling, and the pH of different hot springs ranging from <2 to >9 make hot spring ecosystem a unique environment that is difficult to study. WSN allows many scientific studies in harsh environments that are not feasible with traditional instrumentation. However, wireless pH sensing for long time in situ data collection is still challenging for two reasons. First, the existing commercial-off-the-shelf pH meters are frequent calibration dependent; second, biofouling causes significant measurement error and drift. In this work, 2-dimentional graphene pH sensors were studied and calibration free graphene pH sensor prototypes were fabricated. Test result shows the resistance of the fabricated device changes linearly with the pH values (in the range of 3-11) in the surrounding liquid environment. Field tests show graphene layer greatly prevented the microbial fouling. Therefore, graphene pH sensors are promising candidates that can be effectively used for wireless pH sensing in exploration of hot spring ecosystems.
On the other hand, high pressure, temperatures that can reach boiling, and the pH of different hot springs ranging from <2 to >9 make hot spring ecosystem a unique environment that is difficult to study. WSN allows many scientific studies in harsh environments that are not feasible with traditional instrumentation. However, wireless pH sensing for long time in situ data collection is still challenging for two reasons. First, the existing commercial-off-the-shelf pH meters are frequent calibration dependent; second, biofouling causes significant measurement error and drift. In this work, 2-dimentional graphene pH sensors were studied and calibration free graphene pH sensor prototypes were fabricated. Test result shows the resistance of the fabricated device changes linearly with the pH values (in the range of 3-11) in the surrounding liquid environment. Field tests show graphene layer greatly prevented the microbial fouling. Therefore, graphene pH sensors are promising candidates that can be effectively used for wireless pH sensing in exploration of hot spring ecosystems.
ContributorsHan, Ruirui (Author) / Yu, Hongyu (Thesis advisor) / Jiang, Hanqing (Committee member) / Yu, Hongbin (Committee member) / Garnero, Edward (Committee member) / Li, Mingming (Committee member) / Arizona State University (Publisher)
Created2018