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- All Subjects: Mechanical Engineering
- Creators: Chattopadhyay, Aditi
Stochastic multiscale modeling and statistical characterization of complex polymer matrix composites
Description
There are many applications for polymer matrix composite materials in a variety of different industries, but designing and modeling with these materials remains a challenge due to the intricate architecture and damage modes. Multiscale modeling techniques of composite structures subjected to complex loadings are needed in order to address the scale-dependent behavior and failure. The rate dependency and nonlinearity of polymer matrix composite materials further complicates the modeling. Additionally, variability in the material constituents plays an important role in the material behavior and damage. The systematic consideration of uncertainties is as important as having the appropriate structural model, especially during model validation where the total error between physical observation and model prediction must be characterized. It is necessary to quantify the effects of uncertainties at every length scale in order to fully understand their impact on the structural response. Material variability may include variations in fiber volume fraction, fiber dimensions, fiber waviness, pure resin pockets, and void distributions. Therefore, a stochastic modeling framework with scale dependent constitutive laws and an appropriate failure theory is required to simulate the behavior and failure of polymer matrix composite structures subjected to complex loadings. Additionally, the variations in environmental conditions for aerospace applications and the effect of these conditions on the polymer matrix composite material need to be considered. The research presented in this dissertation provides the framework for stochastic multiscale modeling of composites and the characterization data needed to determine the effect of different environmental conditions on the material properties. The developed models extend sectional micromechanics techniques by incorporating 3D progressive damage theories and multiscale failure criteria. The mechanical testing of composites under various environmental conditions demonstrates the degrading effect these conditions have on the elastic and failure properties of the material. The methodologies presented in this research represent substantial progress toward understanding the failure and effect of variability for complex polymer matrix composites.
ContributorsJohnston, Joel Philip (Author) / Chattopadhyay, Aditi (Thesis advisor) / Liu, Yongming (Committee member) / Jiang, Hanqing (Committee member) / Dai, Lenore (Committee member) / Rajadas, John (Committee member) / Arizona State University (Publisher)
Created2016
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 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.
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
Description
Uncertainty quantification is critical for engineering design and analysis. Determining appropriate ways of dealing with uncertainties has been a constant challenge in engineering. Statistical methods provide a powerful aid to describe and understand uncertainties. This work focuses on applying Bayesian methods and machine learning in uncertainty quantification and prognostics among all the statistical methods. This study focuses on the mechanical properties of materials, both static and fatigue, the main engineering field on which this study focuses. This work can be summarized in the following items: First, maintaining the safety of vintage pipelines requires accurately estimating the strength. The objective is to predict the reliability-based strength using nondestructive multimodality surface information. Bayesian model averaging (BMA) is implemented for fusing multimodality non-destructive testing results for gas pipeline strength estimation. Several incremental improvements are proposed in the algorithm implementation. Second, the objective is to develop a statistical uncertainty quantification method for fatigue stress-life (S-N) curves with sparse data.Hierarchical Bayesian data augmentation (HBDA) is proposed to integrate hierarchical Bayesian modeling (HBM) and Bayesian data augmentation (BDA) to deal with sparse data problems for fatigue S-N curves. The third objective is to develop a physics-guided machine learning model to overcome limitations in parametric regression models and classical machine learning models for fatigue data analysis. A Probabilistic Physics-guided Neural Network (PPgNN) is proposed for probabilistic fatigue S-N curve estimation. This model is further developed for missing data and arbitrary output distribution problems. Fourth, multi-fidelity modeling combines the advantages of low- and high-fidelity models to achieve a required accuracy at a reasonable computation cost. The fourth objective is to develop a neural network approach for multi-fidelity modeling by learning the correlation between low- and high-fidelity models. Finally, conclusions are drawn, and future work is outlined based on the current study.
ContributorsChen, Jie (Author) / Liu, Yongming (Thesis advisor) / Chattopadhyay, Aditi (Committee member) / Mignolet, Marc (Committee member) / Ren, Yi (Committee member) / Yan, Hao (Committee member) / Arizona State University (Publisher)
Created2022
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
Advanced fibrous composite materials exhibit outstanding thermomechanical performance under extreme environments, which make them ideal for structural components that are used in a wide range of aerospace, nuclear, and defense applications. The integrity and residual useful life of these components, however, are strongly influenced by their inherent material flaws and defects resulting from the complex fabrication processes. These defects exist across multiple length scales and govern several scale-dependent inelastic deformation mechanisms of each of the constituents as well as their composite damage anisotropy. Tailoring structural components for optimal performance requires addressing the knowledge gap regarding the microstructural material morphology that governs the structural scale damage and failure response. Therefore, there is a need for a high-fidelity multiscale modeling framework and scale-specific in-situ experimental characterization that can capture complex inelastic mechanisms, including damage initiation and propagation across multiple length scales. This dissertation presents a novel multiscale computational framework that accounts for experimental information pertinent to microstructure morphology and architectural variabilities to investigate the response of ceramic matrix composites (CMCs) with manufacturing-induced defects. First, a three-dimensional orthotropic viscoplasticity creep formulation is developed to capture the complex temperature- and time-dependent constituent load transfer mechanisms in different CMC material systems. The framework also accounts for a reformulated fracture mechanics-informed matrix damage model and the Curtin progressive fiber damage model to capture the complex scale-dependent damage and failure mechanisms through crack kinetics and porosity growth. Next, in-situ experiments using digital image correlation (DIC) are performed to capture the damage and failure mechanisms in CMCs and to validate the high-fidelity modeling results.
The dissertation also presents an exhaustive experimental investigation into the effects of temperature and manufacturing-induced defects on toughened epoxy adhesives and hybrid composite-metallic bonded joints. Nondestructive evaluation techniques are utilized to characterize the inherent defects morphology of the bulk adhesives and bonded interface. This is followed by quasi-static tensile tests conducted at extreme hot and cold temperature conditions. The damage mechanisms and failure modes are investigated using in-situ DIC and a high-resolution camera. The information from the morphology characterization studies is used to reconstruct high-fidelity geometries of the test specimens for finite element analysis.
ContributorsKhafagy, Khaled Hassan Abdo (Author) / Chattopadhyay, Aditi (Thesis advisor) / Fard, Masoud Y. (Committee member) / Milcarek, Ryan (Committee member) / Stoumbos, Tom (Committee member) / Borkowski, Luke (Committee member) / Arizona State University (Publisher)
Created2022
Mechanical Behavior of Meteorites: Multiscale Characterization of the Strength and Failure Mechanism
Description
In this research, the chemical and mineralogical compositions, physical and mechanical properties, and failure mechanisms of two ordinary chondrite (OCs) meteorites Aba Panu (L3) and Viñales (L6), and the iron meteorite called Gibeon (IVA) were studied. OCs are dominated by anhydrous silicates with lesser amounts of sulfides and native Fe-Ni metals, while Gibeon is primarily composed of Fe-Ni metals with scattered inclusions of graphite and troilite. The OCs were investigated to understand their response to compressive loading, using a three-dimensional (3-D) Digital Image Correlation (DIC) technique to measure full-field deformation and strain during compression. The DIC data were also used to identify the effects of mineralogical and structural heterogeneity on crack formation and growth. Even though Aba Panu and Viñales are mineralogically similar and are both classified as L ordinary chondrites, they exhibit differences in compressive strengths due to variations in chemical compositions, microstructure, and the presence of cracks and shock veins. DIC data of Aba Panu and Viñales show a brittle failure mechanism, consistent with the crack formation and growth from pre-existing microcracks and porosity. In contrast, the Fe-Ni phases of the Gibeon meteorite deform plastically without rupture during compression, whereas during tension, plastic deformations followed by necking lead to final failure. The Gibeon DIC results showed strain concentration in the tensile gauge region along the sample edge, resulting in the initiation of new damage surfaces that propagated perpendicular to the loading direction. Finally, an in-situ low-temperature testing method of iron meteorites was developed to study the response of their unique microstructure and failure mechanism.
ContributorsRabbi, Md Fazle (Author) / Chattopadhyay, Aditi (Thesis advisor) / Garvie, Laurence A.J. (Thesis advisor) / Liu, Yongming (Committee member) / Fard, Masoud Yekani (Committee member) / Cotto-Figueroa, Desiree (Committee member) / Arizona State University (Publisher)
Created2023
Description
Information exists in various forms and a better utilization of the available information can benefit the system awareness and response predictions. The focus of this dissertation is on the fusion of different types of information using Bayesian-Entropy method. The Maximum Entropy method in information theory introduces a unique way of handling information in the form of constraints. The Bayesian-Entropy (BE) principle is proposed to integrate the Bayes’ theorem and Maximum Entropy method to encode extra information. The posterior distribution in Bayesian-Entropy method has a Bayesian part to handle point observation data, and an Entropy part that encodes constraints, such as statistical moment information, range information and general function between variables. The proposed method is then extended to its network format as Bayesian Entropy Network (BEN), which serves as a generalized information fusion tool for diagnostics, prognostics, and surrogate modeling.
The proposed BEN is demonstrated and validated with extensive engineering applications. The BEN method is first demonstrated for diagnostics of gas pipelines and metal/composite plates for damage diagnostics. Both empirical knowledge and physics model are integrated with direct observations to improve the accuracy for diagnostics and to reduce the training samples. Next, the BEN is demonstrated in prognostics and safety assessment in air traffic management system. Various information types, such as human concepts, variable correlation functions, physical constraints, and tendency data, are fused in BEN to enhance the safety assessment and risk prediction in the National Airspace System (NAS). Following this, the BE principle is applied in surrogate modeling. Multiple algorithms are proposed based on different type of information encoding, such as Bayesian-Entropy Linear Regression (BELR), Bayesian-Entropy Semiparametric Gaussian Process (BESGP), and Bayesian-Entropy Gaussian Process (BEGP) are demonstrated with numerical toy problems and practical engineering analysis. The results show that the major benefits are the superior prediction/extrapolation performance and significant reduction of training samples by using additional physics/knowledge as constraints. The proposed BEN offers a systematic and rigorous way to incorporate various information sources. Several major conclusions are drawn based on the proposed study.
The proposed BEN is demonstrated and validated with extensive engineering applications. The BEN method is first demonstrated for diagnostics of gas pipelines and metal/composite plates for damage diagnostics. Both empirical knowledge and physics model are integrated with direct observations to improve the accuracy for diagnostics and to reduce the training samples. Next, the BEN is demonstrated in prognostics and safety assessment in air traffic management system. Various information types, such as human concepts, variable correlation functions, physical constraints, and tendency data, are fused in BEN to enhance the safety assessment and risk prediction in the National Airspace System (NAS). Following this, the BE principle is applied in surrogate modeling. Multiple algorithms are proposed based on different type of information encoding, such as Bayesian-Entropy Linear Regression (BELR), Bayesian-Entropy Semiparametric Gaussian Process (BESGP), and Bayesian-Entropy Gaussian Process (BEGP) are demonstrated with numerical toy problems and practical engineering analysis. The results show that the major benefits are the superior prediction/extrapolation performance and significant reduction of training samples by using additional physics/knowledge as constraints. The proposed BEN offers a systematic and rigorous way to incorporate various information sources. Several major conclusions are drawn based on the proposed study.
ContributorsWang, Yuhao (Author) / Liu, Yongming (Thesis advisor) / Chattopadhyay, Aditi (Committee member) / Mignolet, Marc (Committee member) / Yan, Hao (Committee member) / Ren, Yi (Committee member) / Arizona State University (Publisher)
Created2020
Description
Engineering materials and structures undergo a wide variety of multiaxial fatigue loading conditions during their service life. Some of the most complex multiaxial loading scenarios include proportional/non-proportional loading, mix-mode loading, overload/underload, etc. Such loadings are often experienced in many critical applications including aircraft, rotorcraft, and wind turbines. Any accidental failure of these structures during their service life can lead to catastrophic damage to life, property, and environment. All fatigue failure begins with the nucleation of a small crack, followed by crack growth, and ultimately the occurrence of final failure; however, the mechanisms governing the crack nucleation and the crack propagation behavior depend on the nature of fatigue loading and microstructure of the material. In general, ductile materials witness multiple nucleation sites leading to its failure; however, high strength material fails from the nucleation of a single dominant crack. Crack propagation, on the other hand, is governed by various competing mechanisms, which can act either ahead of the crack tip or in the wake region of the crack. Depending upon the magnitude of load, overload/underload, mode-mixity, and microstructure, dominant governing mechanisms may include: crack tip blunting; crack deflection, branching and secondary cracking; strain hardening; residual compressive stresses; plasticity-induced closure, etc. Therefore, it is essential to investigate the mechanisms governing fatigue failure of structural components under such complex multiaxial loading conditions in order to provide a reliable estimation of useful life. The research presented in this dissertation provides the foundation for a comprehensive understanding of fatigue damage in AA 7075 subjected to a range of loading conditions. A series of fatigue tests were conducted on specially designed specimens under different forms of multiaxial loading, which was followed by fracture-surface analysis in order to identify the governing micromechanisms and correlate them with macroscopic fatigue damage behavior. An empirical model was also developed to predict the crack growth rate trend under mode II overloads in an otherwise constant amplitude biaxial loading. The model parameters were calculated using the shape and the size of the plastic zone ahead of the crack tip, and the degree of material hardening within the overload plastic zone. The data obtained from the model showed a good correlation with the experimental values for crack growth rate in the transient region.
ContributorsSingh, Abhay Kumar (Author) / Chattopadhyay, Aditi (Thesis advisor) / Dai, Lenore (Committee member) / Liu, Yongming (Committee member) / Jiao, Yang (Committee member) / Fard, Masoud Y (Committee member) / Arizona State University (Publisher)
Created2021
Description
Fiber reinforced composites are rapidly replacing conventional metallic or polymeric materials as materials of choice in a myriad of applications across a wide range of industries. The relatively low weight, high strength, high stiffness, and a variety of thermal and mechanical environmental and loading capabilities are in part what make composite materials so appealing to material experts and design engineers. Additionally, fiber reinforced composites are highly tailorable and customized composite materials and structures can be readily designed for specific applications including those requiring particular directional material properties, fatigue resistance, damage tolerance, high temperature capabilities, or resistance to environmental degradation due to humidity and oxidation. The desirable properties of fiber reinforced composites arise from the strategic combination of multiple constituents to form a new composite material. However, the significant material anisotropy that occurs as a result of combining multiple constituents, each with different directional thermal and mechanical properties, complicates material analysis and remains a major impediment to fully understanding composite deformation and damage behavior. As a result, composite materials, especially specialized composites such as ceramic matrix composites and various multifunctional composites, are not utilized to their fullest potential. In the research presented in this dissertation, the deformation and damage behavior of several fiber reinforced composite systems were investigated. The damage accumulation and propagation behavior of carbon fiber reinforced polymer (CFRP) composites under complex in-phase biaxial fatigue loading conditions was investigated and the early stage damage and microscale damage were correlated to the eventual fatigue failure behavior and macroscale damage mechanisms. The temperature-dependent deformation and damage response of woven ceramic matrix composites (CMCs) reinforced with carbon and silicon carbide fibers was also studied. A fracture mechanics-informed continuum damage model was developed to capture the brittle damage behavior of the ceramic matrix. A multiscale thermomechanical simulation framework, consisting of cooldown simulations to capture a realistic material initial state and subsequent mechanical loading simulations to capture the temperature-dependent nonlinear stress-strain behavior, was also developed. The methodologies and results presented in this research represent substantial progress toward increasing understanding of the deformation and damage behavior of some key fiber reinforced composite materials.
ContributorsSkinner, Travis Dale (Author) / Chattopadhyay, Aditi (Thesis advisor) / Hall, Asha (Committee member) / Liu, Yongming (Committee member) / Jiao, Yang (Committee member) / Yekani-Fard, Masoud (Committee member) / Arizona State University (Publisher)
Created2021
Description
Damage and failure of advanced composite materials and structures are often manifestations of nonlinear deformation that involve multiple mechanisms and their interactions at the constituent length scale. The presence and interactions of inelastic microscale constituents strongly influence the macroscopic damage anisotropy and useful residual life. The mechano-chemical interactions between constituents at the atomistic length scale play a more critical role with nanoengineered composites. Therefore, it is desirable to link composite behavior to specific microscopic constituent properties explicitly and lower length scale features using high-fidelity multiscale modeling techniques.In the research presented in this dissertation, an atomistically-informed multiscale modeling framework is developed to investigate damage evolution and failure in composites with radially-grown carbon nanotube (CNT) architecture. A continuum damage mechanics (CDM) model for the radially-grown CNT interphase region is developed with evolution equations derived using atomistic simulations. The developed model is integrated within a high-fidelity generalized method of cells (HFGMC) micromechanics theory and is used to parametrically investigate the influence of various input micro and nanoscale parameters on the mechanical properties, such as elastic stiffness, strength, and toughness. In addition, the inter-fiber stresses and the onset of damage in the presence of the interphase region are investigated to better understand the energy dissipation mechanisms that attribute to the enhancement in the macroscopic out-of-plane strength and toughness. Note that the HFGMC theory relies heavily on the description of microscale features and requires many internal variables, leading to high computational costs. Therefore, a novel reduced-order model (ROM) is also developed to surrogate full-field nonlinear HFGMC simulations and decrease the computational time and memory requirements of concurrent multiscale simulations significantly.
The accurate prediction of composite sandwich materials' thermal stability and durability remains a challenge due to the variability of thermal-related material coefficients at different temperatures and the extensive use of bonded fittings. Consequently, the dissertation also investigates the thermomechanical performance of a complex composite sandwich space structure subject to thermal cycling. Computational finite element (FE) simulations are used to investigate the intrinsic failure mechanisms and damage precursors in honeycomb core composite sandwich structures with adhesively bonded fittings.
ContributorsVenkatesan, Karthik Rajan (Author) / Chattopadhyay, Aditi (Thesis advisor) / Liu, Yongming (Committee member) / Jiao, Yang (Committee member) / Yekani Fard, Masoud (Committee member) / Stoumbos, Tom (Committee member) / Arizona State University (Publisher)
Created2021