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- All Subjects: Materials Science
- Genre: Doctoral Dissertation
Description
Being a remarkably versatile and inexpensive building material, concrete has found tremendous use in development of modern infrastructure and is the most widely used material in the world. Extensive research in the field of concrete has led to the development of a wide array of concretes with applications ranging from building of skyscrapers to paving of highways. These varied applications require special cementitious composites which can satisfy the demand for enhanced functionalities such as high strength, high durability and improved thermal characteristics among others.
The current study focuses on the fundamental understanding of such functional composites, from their microstructural design to macro-scale application. More specifically, this study investigates three different categories of functional cementitious composites. First, it discusses the differences between cementitious systems containing interground and blended limestone with and without alumina. The interground systems are found to outperform the blended systems due to differential grinding of limestone. A novel approach to deduce the particle size distribution of limestone and cement in the interground systems is proposed. Secondly, the study delves into the realm of ultra-high performance concrete, a novel material which possesses extremely high compressive-, tensile- and flexural-strength and service life as compared to regular concrete. The study presents a novel first principles-based paradigm to design economical ultra-high performance concretes using locally available materials. In the final part, the study addresses the thermal benefits of a novel type of concrete containing phase change materials. A software package was designed to perform numerical simulations to analyze temperature profiles and thermal stresses in concrete structures containing PCMs.
The design of these materials is accompanied by material characterization of cementitious binders. This has been accomplished using techniques that involve measurement of heat evolution (isothermal calorimetry), determination and quantification of reaction products (thermo-gravimetric analysis, x-ray diffraction, micro-indentation, scanning electron microscopy, energy-dispersive x-ray spectroscopy) and evaluation of pore-size distribution (mercury intrusion porosimetry). In addition, macro-scale testing has been carried out to determine compression, flexure and durability response. Numerical simulations have been carried out to understand hydration of cementitious composites, determine optimum particle packing and determine the thermal performance of these composites.
The current study focuses on the fundamental understanding of such functional composites, from their microstructural design to macro-scale application. More specifically, this study investigates three different categories of functional cementitious composites. First, it discusses the differences between cementitious systems containing interground and blended limestone with and without alumina. The interground systems are found to outperform the blended systems due to differential grinding of limestone. A novel approach to deduce the particle size distribution of limestone and cement in the interground systems is proposed. Secondly, the study delves into the realm of ultra-high performance concrete, a novel material which possesses extremely high compressive-, tensile- and flexural-strength and service life as compared to regular concrete. The study presents a novel first principles-based paradigm to design economical ultra-high performance concretes using locally available materials. In the final part, the study addresses the thermal benefits of a novel type of concrete containing phase change materials. A software package was designed to perform numerical simulations to analyze temperature profiles and thermal stresses in concrete structures containing PCMs.
The design of these materials is accompanied by material characterization of cementitious binders. This has been accomplished using techniques that involve measurement of heat evolution (isothermal calorimetry), determination and quantification of reaction products (thermo-gravimetric analysis, x-ray diffraction, micro-indentation, scanning electron microscopy, energy-dispersive x-ray spectroscopy) and evaluation of pore-size distribution (mercury intrusion porosimetry). In addition, macro-scale testing has been carried out to determine compression, flexure and durability response. Numerical simulations have been carried out to understand hydration of cementitious composites, determine optimum particle packing and determine the thermal performance of these composites.
ContributorsArora, Aashay (Author) / Neithalath, Narayanan (Thesis advisor) / Rajan, Subramaniam D. (Committee member) / Mobasher, Barzin (Committee member) / Chawla, Nikhilesh (Committee member) / Hoover, Christian G (Committee member) / Arizona State University (Publisher)
Created2018
Description
Phase change materials (PCMs) are combined sensible-and-latent thermal energy storage materials that can be used to store and dissipate energy in the form of heat. PCMs incorporated into wall-element systems have been well-studied with respect to energy efficiency of building envelopes. New applications of PCMs in infrastructural concrete, e.g., for mitigating early-age cracking and freeze-and-thaw induced damage, have also been proposed. Hence, the focus of this dissertation is to develop a detailed understanding of the physic-chemical and thermo-mechanical characteristics of cementitious systems and novel coating systems for wall-elements containing PCM. The initial phase of this work assesses the influence of interface properties and inter-inclusion interactions between microencapsulated PCM, macroencapsulated PCM, and the cementitious matrix. The fact that these inclusions within the composites are by themselves heterogeneous, and contain multiple components necessitate careful application of models to predict the thermal properties. The next phase observes the influence of PCM inclusions on the fracture and fatigue behavior of PCM-cementitious composites. The compliant nature of the inclusion creates less variability in the fatigue life for these composites subjected to cyclic loading. The incorporation of small amounts of PCM is found to slightly improve the fracture properties compared to PCM free cementitious composites. Inelastic deformations at the crack-tip in the direction of crack opening are influenced by the microscale PCM inclusions. After initial laboratory characterization of the microstructure and evaluation of the thermo-mechanical performance of these systems, field scale applicability and performance were evaluated. Wireless temperature and strain sensors for smart monitoring were embedded within a conventional portland cement concrete pavement (PCCP) and a thermal control smart concrete pavement (TCSCP) containing PCM. The TCSCP exhibited enhanced thermal performance over multiple heating and cooling cycles. PCCP showed significant shrinkage behavior as a result of compressive strains in the reinforcement that were twice that of the TCSCP. For building applications, novel PCM-composites coatings were developed to improve and extend the thermal efficiency. These coatings demonstrated a delay in temperature by up to four hours and were found to be more cost-effective than traditional building insulating materials.
The results of this work prove the feasibility of PCMs as a temperature-regulating technology. Not only do PCMs reduce and control the temperature within cementitious systems without affecting the rate of early property development but they can also be used as an auto-adaptive technology capable of improving the thermal performance of building envelopes.
The results of this work prove the feasibility of PCMs as a temperature-regulating technology. Not only do PCMs reduce and control the temperature within cementitious systems without affecting the rate of early property development but they can also be used as an auto-adaptive technology capable of improving the thermal performance of building envelopes.
ContributorsAguayo, Matthew Joseph (Author) / Neithalath, Narayanan (Thesis advisor) / Rajan, Subramaniam D. (Committee member) / Mobasher, Barzin (Committee member) / Underwood, Benjamin (Committee member) / Liu, Yongming (Committee member) / Arizona State University (Publisher)
Created2018
Description
The motivation of this work is based on development of new construction products with strain hardening cementitious composites (SHCC) geared towards sustainable residential applications. The proposed research has three main objectives: automation of existing manufacturing systems for SHCC laminates; multi-level characterization of mechanical properties of fiber, matrix, interface and composites phases using servo-hydraulic and digital image correlation techniques. Structural behavior of these systems were predicted using ductility based design procedures using classical laminate theory and structural mechanics. SHCC sections are made up of thin sections of matrix with Portland cement based binder and fine aggregates impregnating continuous one-dimensional fibers in individual or bundle form or two/three dimensional woven, bonded or knitted textiles. Traditional fiber reinforced concrete (FRC) use random dispersed chopped fibers in the matrix at a low volume fractions, typically 1-2% to avoid to avoid fiber agglomeration and balling. In conventional FRC, fracture localization occurs immediately after the first crack, resulting in only minor improvement in toughness and tensile strength. However in SHCC systems, distribution of cracking throughout the specimen is facilitated by the fiber bridging mechanism. Influence of material properties of yarn, composition, geometry and weave patterns of textile in the behavior of laminated SHCC skin composites were investigated. Contribution of the cementitious matrix in the early age and long-term performance of laminated composites was studied with supplementary cementitious materials such as fly ash, silica fume, and wollastonite. A closed form model with classical laminate theory and ply discount method, coupled with a damage evolution model was utilized to simulate the non-linear tensile response of these composite materials. A constitutive material model developed earlier in the group was utilized to characterize and correlate the behavior of these structural composites under uniaxial tension and flexural loading responses. Development and use of analytical models enables optimal design for application of these materials in structural applications. Another area of immediate focus is the development of new construction products from SHCC laminates such as angles, channels, hat sections, closed sections with optimized cross sections. Sandwich composites with stress skin-cellular core concept were also developed to utilize strength and ductility of fabric reinforced skin in addition to thickness, ductility, and thermal benefits of cellular core materials. The proposed structurally efficient and durable sections promise to compete with wood and light gage steel based sections for lightweight construction and panel application
ContributorsDey, Vikram (Author) / Mobasher, Barzin (Thesis advisor) / Rajan, Subramaniam D. (Committee member) / Neithalath, Narayanan (Committee member) / Underwood, Benjamin (Committee member) / Liu, Yongming (Committee member) / Arizona State University (Publisher)
Created2016
Description
Concrete is the most widely used infrastructure material worldwide. Production of portland cement, the main binding component in concrete, has been shown to require significant energy and account for approximately 5-7% of global carbon dioxide production. The expected continued increased use of concrete over the coming decades indicates this is an ideal time to implement sustainable binder technologies. The current work aims to explore enhanced sustainability concretes, primarily in the context of limestone and flow. Aspects such as hydration kinetics, hydration product formation and pore structure add to the understanding of the strength development and potential durability characteristics of these binder systems. Two main strategies for enhancing this sustainability are explored in this work: (i) the use of high volume limestone in combination with other alternative cementitious materials to decrease the portland cement quantity in concrete and (ii) the use of geopolymers as the binder phase in concrete. The first phase of the work investigates the use of fine limestone as cement replacement from the perspective of hydration, strength development, and pore structure. The nature of the potential synergistic benefit of limestone and alumina will be explored. The second phase will focus on the rheological characterization of these materials in the fresh state, as well as a more general investigation of the rheological characterization of suspensions. The results of this work indicate several key ideas. (i) There is a potential synergistic benefit for strength, hydration, and pore structure by using alumina and in portland limestone cements, (ii) the limestone in these systems is shown to react to some extent, and fine limestone is shown to accelerate hydration, (iii) rheological characteristics of cementitious suspensions are complex, and strongly dependent on several key parameters including: the solid loading, interparticle forces, surface area of the particles present, particle size distribution of the particles, and rheological nature of the media in which the particles are suspended, and (iv) stress plateau method is proposed for the determination of rheological properties of concentrated suspensions, as it more accurately predicts apparent yield stress and is shown to correlate well with other viscoelastic properties of the suspensions.
ContributorsVance, Kirk (Author) / Neithalath, Narayanan (Thesis advisor) / Rajan, Subramaniam D. (Committee member) / Mobasher, Barzin (Committee member) / Chawla, Nikhilesh (Committee member) / Marzke, Robert (Committee member) / Arizona State University (Publisher)
Created2014
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, 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
Description
For decades, microelectronics manufacturing has been concerned with failures related to electromigration phenomena in conductors experiencing high current densities. The influence of interconnect microstructure on device failures related to electromigration in BGA and flip chip solder interconnects has become a significant interest with reduced individual solder interconnect volumes. A survey indicates that x-ray computed micro-tomography (µXCT) is an emerging, novel means for characterizing the microstructures' role in governing electromigration failures. This work details the design and construction of a lab-scale µXCT system to characterize electromigration in the Sn-0.7Cu lead-free solder system by leveraging in situ imaging.
In order to enhance the attenuation contrast observed in multi-phase material systems, a modeling approach has been developed to predict settings for the controllable imaging parameters which yield relatively high detection rates over the range of x-ray energies for which maximum attenuation contrast is expected in the polychromatic x-ray imaging system. In order to develop this predictive tool, a model has been constructed for the Bremsstrahlung spectrum of an x-ray tube, and calculations for the detector's efficiency over the relevant range of x-ray energies have been made, and the product of emitted and detected spectra has been used to calculate the effective x-ray imaging spectrum. An approach has also been established for filtering `zinger' noise in x-ray radiographs, which has proven problematic at high x-ray energies used for solder imaging. The performance of this filter has been compared with a known existing method and the results indicate a significant increase in the accuracy of zinger filtered radiographs.
The obtained results indicate the conception of a powerful means for the study of failure causing processes in solder systems used as interconnects in microelectronic packaging devices. These results include the volumetric quantification of parameters which are indicative of both electromigration tolerance of solders and the dominant mechanisms for atomic migration in response to current stressing. This work is aimed to further the community's understanding of failure-causing electromigration processes in industrially relevant material systems for microelectronic interconnect applications and to advance the capability of available characterization techniques for their interrogation.
In order to enhance the attenuation contrast observed in multi-phase material systems, a modeling approach has been developed to predict settings for the controllable imaging parameters which yield relatively high detection rates over the range of x-ray energies for which maximum attenuation contrast is expected in the polychromatic x-ray imaging system. In order to develop this predictive tool, a model has been constructed for the Bremsstrahlung spectrum of an x-ray tube, and calculations for the detector's efficiency over the relevant range of x-ray energies have been made, and the product of emitted and detected spectra has been used to calculate the effective x-ray imaging spectrum. An approach has also been established for filtering `zinger' noise in x-ray radiographs, which has proven problematic at high x-ray energies used for solder imaging. The performance of this filter has been compared with a known existing method and the results indicate a significant increase in the accuracy of zinger filtered radiographs.
The obtained results indicate the conception of a powerful means for the study of failure causing processes in solder systems used as interconnects in microelectronic packaging devices. These results include the volumetric quantification of parameters which are indicative of both electromigration tolerance of solders and the dominant mechanisms for atomic migration in response to current stressing. This work is aimed to further the community's understanding of failure-causing electromigration processes in industrially relevant material systems for microelectronic interconnect applications and to advance the capability of available characterization techniques for their interrogation.
ContributorsMertens, James Charles Edwin (Author) / Chawla, Nikhilesh (Thesis advisor) / Alford, Terry (Committee member) / Jiao, Yang (Committee member) / Neithalath, Narayanan (Committee member) / Arizona State University (Publisher)
Created2015
Description
Composite materials are now beginning to provide uses hitherto reserved for metals in structural systems such as airframes and engine containment systems, wraps for repair and rehabilitation, and ballistic/blast mitigation systems. These structural systems are often subjected to impact loads and there is a pressing need for accurate prediction of deformation, damage and failure. There are numerous material models that have been developed to analyze the dynamic impact response of polymer matrix composites. However, there are key features that are missing in those models that prevent them from providing accurate predictive capabilities. In this dissertation, a general purpose orthotropic elasto-plastic computational constitutive material model has been developed to predict the response of composites subjected to high velocity impacts. The constitutive model is divided into three components – deformation model, damage model and failure model, with failure to be added at a later date. The deformation model generalizes the Tsai-Wu failure criteria and extends it using a strain-hardening-based orthotropic yield function with a non-associative flow rule. A strain equivalent formulation is utilized in the damage model that permits plastic and damage calculations to be uncoupled and capture the nonlinear unloading and local softening of the stress-strain response. A diagonal damage tensor is defined to account for the directionally dependent variation of damage. However, in composites it has been found that loading in one direction can lead to damage in multiple coordinate directions. To account for this phenomena, the terms in the damage matrix are semi-coupled such that the damage in a particular coordinate direction is a function of the stresses and plastic strains in all of the coordinate directions. The overall framework is driven by experimental tabulated temperature and rate-dependent stress-strain data as well as data that characterizes the damage matrix and failure. The developed theory has been implemented in a commercial explicit finite element analysis code, LS-DYNA®, as MAT213. Several verification and validation tests using a commonly available carbon-fiber composite, Toyobo’s T800/F3900, have been carried and the results show that the theory and implementation are efficient, robust and accurate.
ContributorsHoffarth, Canio (Author) / Rajan, Subramaniam D. (Thesis advisor) / Goldberg, Robert (Committee member) / Neithalath, Narayanan (Committee member) / Mobasher, Barzin (Committee member) / Liu, Yongming (Committee member) / Arizona State University (Publisher)
Created2016
Description
Layer-wise extrusion of soft-solid like cement pastes and mortars is commonly used in 3D printing of concrete. Rheological and mechanical characterization of the printable binder for on-demand flow and subsequent structuration is a critical challenge. This research is an effort to understand the mechanics of cementitious binders as soft solids in the fresh state, towards establishing material-process relationships to enhance print quality. This study introduces 3D printable binders developed based on rotational and capillary rheology test parameters, and establish the direct influence of packing coefficients, geometric ratio, slip velocities, and critical print velocities on the extrudate quality. The ratio of packing fraction to the square of average particle diameter (0.01-0.02), and equivalent microstructural index (5-20) were suitable for printing, and were directly related to the cohesion and extrusional yield stress of the material. In fact, steady state pressure for printing (30-40 kPa) is proportional to the extrusional yield stress, and increases with the geometric ratio (0-60) and print velocity (5-50 mm/s). Higher print velocities results in higher wall shear stresses and was exponentially related to the slip layer thickness (estimated between 1-5μ), while the addition of superplasticizers improve the slip layer thickness and the extrudate flow. However, the steady state pressure and printer capacity limits the maximum print velocity while the deadzone length limits the minimum velocity allowable (critical velocity regime) for printing. The evolution of buildability with time for the fresh state mortars was characterized with digital image correlation using compressive strain and strain rate in printed layers. The fresh state characteristics (interlayer and interfilamentous) and process parameters (layer height and fiber dimensions) influence the hardened mechanical properties. A lower layer height generally improves the mechanical properties and slight addition of fiber (up to 0.3% by volume) results in a 15-30% increase in the mechanical properties. 3D scanning and point-cloud analysis was also used to assess the geometric tolerance of a print based on mean error distances, print accuracy index, and layer-wise percent overlap. The research output will contribute to a synergistic material-process design and development of test methods for printability in the context of 3D printing of concrete.
ContributorsAmbadi Omanakuttan Nair, Sooraj Kumar (Author) / Neithalath, Narayanan (Thesis advisor) / Rajan, Subramaniam (Committee member) / Mobasher, Barzin (Committee member) / Hoover, Christian (Committee member) / Chawla, Nikhilesh (Committee member) / Arizona State University (Publisher)
Created2021