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The main objective of this study is to investigate the behaviour and applications of strain hardening cement composites (SHCC). Application of SHCC for use in slabs of common configurations was studied and design procedures are prepared by employing yield line theory and integrating it with simplified tri-linear model developed in

The main objective of this study is to investigate the behaviour and applications of strain hardening cement composites (SHCC). Application of SHCC for use in slabs of common configurations was studied and design procedures are prepared by employing yield line theory and integrating it with simplified tri-linear model developed in Arizona State University by Dr. Barzin Mobasher and Dr. Chote Soranakom. Intrinsic material property of moment-curvature response for SHCC was used to derive the relationship between applied load and deflection in a two-step process involving the limit state analysis and kinematically admissible displacements. For application of SHCC in structures such as shear walls, tensile and shear properties are necessary for design. Lot of research has already been done to study the tensile properties and therefore shear property study was undertaken to prepare a design guide. Shear response of textile reinforced concrete was investigated based on picture frame shear test method. The effects of orientation, volume of cement paste per layer, planar cross-section and volume fraction of textiles were investigated. Pultrusion was used for the production of textile reinforced concrete. It is an automated set-up with low equipment cost which provides uniform production and smooth final surface of the TRC. A 3-D optical non-contacting deformation measurement technique of digital image correlation (DIC) was used to conduct the image analysis on the shear samples by means of tracking the displacement field through comparison between the reference image and deformed images. DIC successfully obtained full-field strain distribution, displacement and strain versus time responses, demonstrated the bonding mechanism from perspective of strain field, and gave a relation between shear angle and shear strain.
ContributorsAswani, Karan (Author) / Mobasher, Barzin (Thesis advisor) / Dharmarajan, Subramaniam (Committee member) / Neithalath, Narayanan (Committee member) / Arizona State University (Publisher)
Created2014
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Description
Laminated composite materials are used in aerospace, civil and mechanical structural systems due to their superior material properties compared to the constituent materials as well as in comparison to traditional materials such as metals. Laminate structures are composed of multiple orthotropic material layers bonded together to form a single performing

Laminated composite materials are used in aerospace, civil and mechanical structural systems due to their superior material properties compared to the constituent materials as well as in comparison to traditional materials such as metals. Laminate structures are composed of multiple orthotropic material layers bonded together to form a single performing part. As such, the layup design of the material largely influences the structural performance. Optimization techniques such as the Genetic Algorithm (GA), Differential Evolution (DE), the Method of Feasible Directions (MFD), and others can be used to determine the optimal laminate composite material layup. In this thesis, sizing, shape and topology design optimization of laminated composites is carried out. Sizing optimization, such as the layer thickness, topology optimization, such as the layer orientation and material and the number of layers present, and shape optimization of the overall composite part contribute to the design optimization process of laminates. An optimization host program written in C++ has been developed to implement the optimization methodology of both population based and numerical gradient based methods. The performance of the composite structural system is evaluated through explicit finite element analysis of shell elements carried out using LS-DYNA. Results from numerical examples demonstrate that optimization design processes can significantly improve composite part performance through implementation of optimum material layup and part shape.
ContributorsMika, Krista (Author) / Rajan, Subramaniam D. (Thesis advisor) / Neithalath, Narayanan (Committee member) / Mobasher, Barzin (Committee member) / Arizona State University (Publisher)
Created2014
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Description
Concrete is relatively brittle, and its tensile strength is typically only about one-tenth of its compressive strength. Regular concrete is therefore normally uses reinforcement steel bars to increase the tensile strength. It is becoming increasingly popular to use random distributed fibers as reinforcement and polymeric fibers is once such kind.

Concrete is relatively brittle, and its tensile strength is typically only about one-tenth of its compressive strength. Regular concrete is therefore normally uses reinforcement steel bars to increase the tensile strength. It is becoming increasingly popular to use random distributed fibers as reinforcement and polymeric fibers is once such kind. In the case of polymeric fibers, due to hydrophobicity and lack of any chemical bond between the fiber and matrix, the weak interface zone limits the ability of the fibers to effectively carry the load that is on the matrix phase. Depending on the fiber’s surface asperity, shape, chemical nature, and mechanical bond characteristic of the load transfer between matrix and fiber can be altered so that the final composite can be improved. These modifications can be carried out by means of thermal treatment, mechanical surface modifications, or chemical changes The objective of this study is to measure and document the effect of gamma ray irradiation on the mechanical properties of macro polymeric fibers. The objective is to determine the mechanical properties of macro-synthetic fibers and develop guidelines for treatment and characterization that allow for potential positive changes due to exposure to irradiation. Fibers are exposed to various levels of ionizing radiation and the tensile, interface and performance in a mortar matrix are documented. Uniaxial tensile tests were performed on irradiated fibers to study fiber strength and failure pattern. SEM tests were carried out in order to study the surface characteristic and effect of different radiation dose on polymeric fiber. The interaction of the irradiated fiber with the cement composite was studied by a series of quasi-static pullout test for a specific embedded length. As a final task, flexural tests were carried out for different irradiated fibers to sum up the investigation. An average increase of 13% in the stiffness of the fiber was observed for 5 kGy of radiation. Flexural tests showed an average increase of 181% in the Req3 value and 102 % in the toughness of the sample was observed for 5 kGy of dose.
ContributorsTiwari, Sanchay Sushil (Author) / Mobasher, Barzin (Thesis advisor) / Neithalath, Narayanan (Thesis advisor) / Dharmarajan, Subramaniam (Committee member) / Holbert, Keith E. (Committee member) / Arizona State University (Publisher)
Created2018
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Description
A hybrid molecular dynamics (MD) simulation framework is developed to emulate mechanochemical reaction of mechanophores in epoxy-based nanocomposites. Two different force fields, a classical force field and a bond order based force field are hybridized to mimic the experimental processes from specimen preparation to mechanical loading test. Ultra-violet photodimerization for

A hybrid molecular dynamics (MD) simulation framework is developed to emulate mechanochemical reaction of mechanophores in epoxy-based nanocomposites. Two different force fields, a classical force field and a bond order based force field are hybridized to mimic the experimental processes from specimen preparation to mechanical loading test. Ultra-violet photodimerization for mechanophore synthesis and epoxy curing for thermoset polymer generation are successfully simulated by developing a numerical covalent bond generation method using the classical force field within the framework. Mechanical loading tests to activate mechanophores are also virtually conducted by deforming the volume of a simulation unit cell. The unit cell deformation leads to covalent bond elongation and subsequent bond breakage, which is captured using the bond order based force field. The outcome of the virtual loading test is used for local work analysis, which enables a quantitative study of mechanophore activation. Through the local work analysis, the onset and evolution of mechanophore activation indicating damage initiation and propagation are estimated; ultimately, the mechanophore sensitivity to external stress is evaluated. The virtual loading tests also provide accurate estimations of mechanical properties such as elastic, shear, bulk modulus, yield strain/strength, and Poisson’s ratio of the system. Experimental studies are performed in conjunction with the simulation work to validate the hybrid MD simulation framework. Less than 2% error in estimations of glass transition temperature (Tg) is observed with experimentally measured Tgs by use of differential scanning calorimetry. Virtual loading tests successfully reproduce the stress-strain curve capturing the effect of mechanophore inclusion on mechanical properties of epoxy polymer; comparable changes in Young’s modulus and yield strength are observed in experiments and simulations. Early damage signal detection, which is identified in experiments by observing increased intensity before the yield strain, is captured in simulations by showing that the critical strain representing the onset of the mechanophore activation occurs before the estimated yield strain. It is anticipated that the experimentally validated hybrid MD framework presented in this dissertation will provide a low-cost alternative to additional experiments that are required for optimizing material design parameters to improve damage sensing capability and mechanical properties.

In addition to the study of mechanochemical reaction analysis, an atomistic model of interphase in carbon fiber reinforced composites is developed. Physical entanglement between semi-crystalline carbon fiber surface and polymer matrix is captured by introducing voids in multiple graphene layers, which allow polymer matrix to intertwine with graphene layers. The hybrid MD framework is used with some modifications to estimate interphase properties that include the effect of the physical entanglement. The results are compared with existing carbon fiber surface models that assume that carbon fiber has a crystalline structure and hence are unable to capture the physical entanglement. Results indicate that the current model shows larger stress gradients across the material interphase. These large stress gradients increase the viscoplasticity and damage effects at the interphase. The results are important for improved prediction of the nonlinear response and damage evolution in composite materials.
ContributorsKoo, Bonsung (Author) / Chattopadhyay, Aditi (Thesis advisor) / Dai, Lenore (Committee member) / Jiang, Hanqing (Committee member) / Jiao, Yang (Committee member) / Rajadas, John (Committee member) / Arizona State University (Publisher)
Created2017
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Description
This research summarizes the characterization of the constituent materials of a unidirectional composite for use in a finite element model. Specifically the T800s-F3900 composite from Toray Composites, Seattle, WA. Testing was carried out on cured polymer matrix provided by the manufacturer and single fiber specimen. The material model chosen for

This research summarizes the characterization of the constituent materials of a unidirectional composite for use in a finite element model. Specifically the T800s-F3900 composite from Toray Composites, Seattle, WA. Testing was carried out on cured polymer matrix provided by the manufacturer and single fiber specimen. The material model chosen for the polymer matrix was MAT 187 (Semi-Analytical Model for Polymers) which allowed for input of the tension, compression, and shear load responses.

The matrix was tested in tension, compression, and shear and was assumed to be isotropic. Ultimate strengths of the matrix were found to be 10 580 psi in tension, 25 900 psi in compression, and 5 940 in shear. The material properties calculated suggest the resin as being an isotropic material with the moduli in tension and compression being approximately equal (3% difference between the experimental values) and the shear modulus following typical isotropic relations. Single fiber properties were obtained for the T800s fiber in tension only with the modulus being approximately 40 500 ksi and the peak stress value being approximately 309 ksi.

The material model predicts the behavior of the multi-element testing simulations in both deformation and failure in the direction of loading.
ContributorsRobbins, Joshua (Author) / Rajan, Subramaniam D. (Thesis advisor) / Mobasher, Barzin (Committee member) / Hoover, Christian (Committee member) / Arizona State University (Publisher)
Created2019
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Description
Functional materials can be characterized as materials that have tunable properties and are attractive solutions to the improvement and optimization of processes that require specific physiochemical characteristics. Through tailoring and altering these materials, their characteristics can be fine-tuned for specific applications. Computational modeling proves to be a crucial methodology in

Functional materials can be characterized as materials that have tunable properties and are attractive solutions to the improvement and optimization of processes that require specific physiochemical characteristics. Through tailoring and altering these materials, their characteristics can be fine-tuned for specific applications. Computational modeling proves to be a crucial methodology in the design and optimization of such materials. This dissertation encompasses the utilization of molecular dynamics simulations and quantum calculations in two fields of functional materials: electrolytes and semiconductors. Molecular dynamics (MD) simulations were performed on ionic liquid-based electrolyte systems to identify molecular interactions, structural changes, and transport properties that are often reflected in experimental results. The simulations aid in the development process of the electrolyte systems in terms of concentrations of the constituents and can be invoked as a complementary or predictive tool to laboratory experiments. The theme of this study stretches further to include computational studies of the reactivity of atomic layer deposition (ALD) precursors. Selected aminosilane-based precursors were chosen to undergo density functional theory (DFT) calculations to determine surface reactivity and viability in an industrial setting. The calculations were expanded to include the testing of a semi-empirical tight binding program to predict growth per cycle and precursor reactivity with a high surface coverage model. Overall, the implementation of computational methodologies and techniques within these applications improves materials design and process efficiency while streamlining the development of new functional materials.
ContributorsGliege, Marisa Elise (Author) / Dai, Lenore (Thesis advisor) / Derecskei-Kovacs, Agnes (Thesis advisor) / Muhich, Christopher (Committee member) / Emady, Heather (Committee member) / Zhuang, Houlong (Committee member) / Arizona State University (Publisher)
Created2021
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Description
Composite materials are finally providing uses hitherto reserved for metals in structural systems applications – airframes and engine containment systems, wraps for repair and rehabilitation, and ballistic/blast mitigation systems. They have high strength-to-weight ratios, are durable and resistant to environmental effects, have high impact strength, and can be manufactured in

Composite materials are finally providing uses hitherto reserved for metals in structural systems applications – airframes and engine containment systems, wraps for repair and rehabilitation, and ballistic/blast mitigation systems. They have high strength-to-weight ratios, are durable and resistant to environmental effects, have high impact strength, and can be manufactured in a variety of shapes. Generalized constitutive models are being developed to accurately model composite systems so they can be used in implicit and explicit finite element analysis. These models require extensive characterization of the composite material as input. The particular constitutive model of interest for this research is a three-dimensional orthotropic elasto-plastic composite material model that requires a total of 12 experimental stress-strain curves, yield stresses, and Young’s Modulus and Poisson’s ratio in the material directions as input. Sometimes it is not possible to carry out reliable experimental tests needed to characterize the composite material. One solution is using virtual testing to fill the gaps in available experimental data. A Virtual Testing Software System (VTSS) has been developed to address the need for a less restrictive method to characterize a three-dimensional orthotropic composite material. The system takes in the material properties of the constituents and completes all 12 of the necessary characterization tests using finite element (FE) models. Verification and validation test cases demonstrate the capabilities of the VTSS.
ContributorsHarrington, Joseph (Author) / Rajan, Subramaniam D. (Thesis advisor) / Neithalath, Narayanan (Committee member) / Mobasher, Barzin (Committee member) / Arizona State University (Publisher)
Created2015