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While understanding of failure mechanisms for polymeric composites have improved vastly over recent decades, the ability to successfully monitor early failure and subsequent prevention has come of much interest in recent years. One such method to detect these failures involves the use of mechanochemistry, a field of chemistry in which

While understanding of failure mechanisms for polymeric composites have improved vastly over recent decades, the ability to successfully monitor early failure and subsequent prevention has come of much interest in recent years. One such method to detect these failures involves the use of mechanochemistry, a field of chemistry in which chemical reactions are initiated by deforming highly-strained bonds present in certain moieties. Mechanochemistry is utilized in polymeric composites as a means of stress-sensing, utilizing weak and force-responsive chemical bonds to activate signals when embedded in a composite material. These signals can then be detected to determine the amount of stress applied to a composite and subsequent potential damage that has occurred due to the stress. Among mechanophores, the cinnamoyl moiety is capable of stress response through fluorescent signal under mechanical load. The cinnamoyl group is fluorescent in its initial state and capable of undergoing photocycloaddition in the presence of ultraviolet (UV) light, followed by subsequent reversion when under mechanical load. Signal generation before the yield point of the material provides a form of damage precursor detection.This dissertation explores the implementation of mechanophores in novel approaches to overcome some of the many challenges within the mechanochemistry field. First, new methods of mechanophore detection were developed through utilization of Fourier transform infrared (FTIR) spectroscopy signals and in-situ stress sensing. Developing an in-situ testing method provided a two-fold advantage of higher resolution and more time efficiency over current methods involving image analysis with a fluorescent microscope. Second, bonding mechanophores covalently into the backbone of an epoxy matrix mitigated property loss due to mechanophore incorporation. This approach was accomplished through functionalizing either the resin or hardener component of the matrix. Finally, surface functionalization of fibers was performed and allowed for unaltered fabrication procedures of composite layups as well as provided increased adhesion at the fiber-matrix interphase. The developed materials could enable a simple, non-invasive, and non-detrimental structural health monitoring approach.
ContributorsGunckel, Ryan Patrick (Author) / Dai, Lenore (Thesis advisor) / Chattopadhyay, Aditi (Thesis advisor) / Lind Thomas, Mary Laura (Committee member) / Liu, Yongming (Committee member) / Forzani, Erica (Committee member) / Arizona State University (Publisher)
Created2021
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It is well–established that physical phenomena occurring at the macroscale are the result of underlying molecular mechanisms that occur at the nanoscale. Understanding these mechanisms at the molecular level allows the development of semicrystalline polymers with tailored properties for different applications. Molecular Dynamics (MD) simulations offer significant insight into these

It is well–established that physical phenomena occurring at the macroscale are the result of underlying molecular mechanisms that occur at the nanoscale. Understanding these mechanisms at the molecular level allows the development of semicrystalline polymers with tailored properties for different applications. Molecular Dynamics (MD) simulations offer significant insight into these mechanisms and their impact on various physical and mechanical properties. However, the temporostpatial limitations of all–atomistic (AA) MD simulations impede the investigation of phenomena with higher time– and length–scale. Coarse–grained (CG) MD simulations address the shortcomings of AAMD simulations by grouping atoms based on their chemical, structural, etc., aspects into larger particles, beads, and reducing the degrees offreedom of the atomistic system, allowing achievement of higher time– and length–scales. Among the approaches for generating CG models, the hybrid approach is capable of capturing the underlying mechanisms at the molecular level while replicating phenomena at temporospatial scales attainable by the CG model. In this dissertation, a novel hybrid method is developed for the systematic coarse–graining of semicrystalline polymers that uniquely blends the potential functions of both phases. The obtained blended potential not only faithfully reproduces the structural distributions of multiple phases simultaneously but also allows control over the dynamics of the obtained CG models employing a tunable parameter. Given that accelerated dynamics of the CG models hinder the investigation of phenomena in the crystal phase, such as α–α-relaxation, by utilizing the developed method, this phenomenon was successfully modeled for a semicrystalline polyethylene (PE) system with obtained values for the diffusion constant at room temperature and the activation energy in close agreement with experimental results. In a subsequent study, a family of potentials was developed for a sample semicrystalline polyethylene (PE) to investigate the impact of different potential functions on some physical properties, such as crystal diffusion and glass transition temperature, and their correlation with some mechanical properties obtained from uniaxial deformation.
ContributorsEghlidos, Omid (Author) / Oswald, Jay JJO (Thesis advisor) / Chattopadhyay, Aditi (Committee member) / Mignolet, Marc (Committee member) / Hjelmstad, Keith (Committee member) / Lanchier, Nicolas (Committee member) / Arizona State University (Publisher)
Created2023
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Description
Delamination of solar module interfaces often occurs in field-tested solar modules after decades of service due to environmental stressors such as humidity. In the presence of water, the interfaces between the encapsulant and the cell, glass, and backsheet all experience losses of adhesion, exposing the module to accelerated degradation. Understanding

Delamination of solar module interfaces often occurs in field-tested solar modules after decades of service due to environmental stressors such as humidity. In the presence of water, the interfaces between the encapsulant and the cell, glass, and backsheet all experience losses of adhesion, exposing the module to accelerated degradation. Understanding the relation between interfacial adhesion and water content inside photovoltaic modules can help mitigate detrimental power losses. Water content measurements via water reflectometry detection combined with 180° peel tests were used to study adhesion of module materials exposed to damp heat and dry heat conditions. The effect of temperature, cumulative water dose, and water content on interfacial adhesion between ethylene vinyl acetate and (1) glass, (2) front of the cell, and (3) backsheet was studied. Temperature and time decreased adhesion at all these interfaces. Water content in the sample during the measurement showed significant decreases in adhesion for the Backsheet/Ethylene vinyl acetate interface. Water dose showed little effect for the Glass/ Ethylene vinyl acetate and Backsheet/ Ethylene vinyl acetate interfaces, but there was significant adhesion loss with water dose at the front cell busbar/encapsulant interface. Initial tensile test results to monitor the effects of the mechanical properties ethylene vinyl acetate and backsheet showed water content increasing the strength of ethylene vinyl acetate during plastic deformation but no change in the strength of the backsheet properties. This mechanical property change is likely inducing variation along the peel interface to possibly convolute the adhesion measurements conducted or to explain the variation seen for the water saturated and dried peel test sample types.
ContributorsTheut, Nicholas (Author) / Bertoni, Mariana (Thesis advisor) / Holman, Zachary (Committee member) / Chan, Candace (Committee member) / Arizona State University (Publisher)
Created2020