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- All Subjects: Computational Physics
- Creators: Chattopadhyay, Aditi
- Member of: Theses and Dissertations
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
This thesis encompasses research performed in the focus area of structural health monitoring. More specifically, this research focuses on high velocity impact testing of carbon fiber reinforced structures, especially plates, and evaluating the damage post-impact. To this end, various non-destructive evaluation techniques such as ultrasonic C-scan testing and flash thermography were utilized for post-impact analysis. MATLAB algorithms were written and refined for the localization and quantification of damage in plates using data from sensors such as piezoelectric and fiber Bragg gratings sensors. Throughout the thesis, the general plate theory and laminate plate theory, the operations and optimization of the gas gun, and the theory used for the damage localization algorithms will be discussed. Additional quantifiable results are to come in future semesters of experimentation, but this thesis outlines the framework upon which all the research will continue to advance.
ContributorsMccrea, John Patrick (Author) / Chattopadhyay, Aditi (Thesis director) / Borkowski, Luke (Committee member) / Barrett, The Honors College (Contributor) / Mechanical and Aerospace Engineering Program (Contributor) / Department of Military Science (Contributor)
Created2015-05
Description
Intelligent engineering designs require an accurate understanding of material behavior, since any uncertainties or gaps in knowledge must be counterbalanced with heightened factors of safety, leading to overdesign. Therefore, building better structures and pushing the performance of new components requires an improved understanding of the thermomechanical response of advanced materials under service conditions. This dissertation provides fundamental investigations of several advanced materials: thermoset polymers, a common matrix material for fiber-reinforced composites and nanocomposites; aluminum alloy 7075-T6 (AA7075-T6), a high-performance aerospace material; and ceramic matrix composites (CMCs), an advanced composite for extreme-temperature applications. To understand matrix interactions with various interfaces and nanoinclusions at their fundamental scale, the properties of thermoset polymers are studied at the atomistic scale. An improved proximity-based molecular dynamics (MD) technique for modeling the crosslinking of thermoset polymers is carefully established, enabling realistic curing simulations through its ability to dynamically and probabilistically perform complex topology transformations. The proximity-based MD curing methodology is then used to explore damage initiation and the local anisotropic evolution of mechanical properties in thermoset polymers under uniaxial tension with an emphasis on changes in stiffness through a series of tensile loading, unloading, and reloading experiments. Aluminum alloys in aerospace applications often require a fatigue life of over 109 cycles, which is well over the number of cycles that can be practically tested using conventional fatigue testing equipment. In order to study these high-life regimes, a detailed ultrasonic cycle fatigue study is presented for AA7075-T6 under fully reversed tension-compression loading. The geometric sensitivity, frequency effects, size effects, surface roughness effects, and the corresponding failure mechanisms for ultrasonic fatigue across different fatigue regimes are investigated. Finally, because CMCs are utilized in extreme environments, oxidation plays an important role in their degradation. A multiphysics modeling methodology is thus developed to address the complex coupling between oxidation, mechanical stress, and oxygen diffusion in heterogeneous carbon fiber-reinforced CMC microstructures.
ContributorsSchichtel, Jacob (Author) / Chattopadhyay, Aditi (Thesis advisor) / Dai, Lenore (Committee member) / Ghoshal, Anindya (Committee member) / Huang, Huei-Ping (Committee member) / Jiao, Yang (Committee member) / Oswald, Jay (Committee member) / Arizona State University (Publisher)
Created2022
Description
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