Browsing by Author "Seidel, Gary D."
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- Accelerating Structural Design and Optimization using Machine LearningSingh, Karanpreet (Virginia Tech, 2019-12-06)Machine learning techniques promise to greatly accelerate structural design and optimization. In this thesis, deep learning and active learning techniques are applied to different non-convex structural optimization problems. Finite Element Analysis (FEA) based standard optimization methods for aircraft panels with bio-inspired curvilinear stiffeners are computationally expensive. The main reason for employing many of these standard optimization methods is the ease of their integration with FEA. However, each optimization requires multiple computationally expensive FEA evaluations, making their use impractical at times. To accelerate optimization, the use of Deep Neural Networks (DNNs) is proposed to approximate the FEA buckling response. The results show that DNNs obtained an accuracy of 95% for evaluating the buckling load. The DNN accelerated the optimization by a factor of nearly 200. The presented work demonstrates the potential of DNN-based machine learning algorithms for accelerating the optimization of bio-inspired curvilinearly stiffened panels. But, the approach could have disadvantages for being only specific to similar structural design problems, and requiring large datasets for DNNs training. An adaptive machine learning technique called active learning is used in this thesis to accelerate the evolutionary optimization of complex structures. The active learner helps the Genetic Algorithms (GA) by predicting if the possible design is going to satisfy the required constraints or not. The approach does not need a trained surrogate model prior to the optimization. The active learner adaptively improve its own accuracy during the optimization for saving the required number of FEA evaluations. The results show that the approach has the potential to reduce the total required FEA evaluations by more than 50%. Lastly, the machine learning is used to make recommendations for modeling choices while analyzing a structure using FEA. The decisions about the selection of appropriate modeling techniques are usually based on an analyst's judgement based upon their knowledge and intuition from past experience. The machine learning-based approach provides recommendations within seconds, thus, saving significant computational resources for making accurate design choices.
- Aligned Continuous Cylindrical Pores Derived from Electrospun Polymer Fibers in Titanium DiborideHicks, David Cyprian (Virginia Tech, 2019-02-01)The use of electrospun polystyrene (PS) fibers to create continuous long range ordered multi-scale porous structures in titanium diboride (TiB2) is investigated in this work. The introduction of electrospun PS fibers as a sacrificial filler into a colloidal suspension of TiB2 allows for easy control over the pore size, porosity, and long range ordering of the porous structures of the sintered ceramic. Green bodies were formed by vacuum infiltrating an electrospun-fiber-filled mold with the colloidal TiB2 suspension. The size, volume, distribution, and dispersion of the pores were optimized by carefully selecting the sacrificial polymer, the fiber diameter, the solvent, and the solid content of TiB2. The green bodies were partially sintered at 2000 C in argon to form a multiscale porous structure via the removal of the PS fibers. Aligned continuous cylindrical pores were derived from the PS fibers in a range of ~5 - 20 μm and random porosity was revealed between the ceramic particles with the size of ~0.3 - 1 μm. TiB2 near-net-shaped parts with the multi-scale porosities (~50 to 70%) were successfully cast and sintered. The multi-scale porous structure produced from electrospun fibers was characterized both thermally and mechanically, at room temperature. The conductivity ranged from 12-31 W m^(-1) K^(-1) at room temperature and the compressive strength ranged from 2-30 MPa at room temperature. Analytical thermal and mechanical models were employed to understand and verify he processing-structure-properties relationship. Finally, a method was devised for estimating the effective thermal conductivity of candidate materials for UHTC applications at relevant temperatures using a finite difference model and a controlled sample environment. This low-cost processing technique facilitates the production of thermally and mechanically anisotropic structures into near-net shape parts, for extreme environment applications, such as ultra high temperature insulation and active cooling components.
- Analysis of Composites using PeridynamicsDegl'Incerti Tocci, Corrado (Virginia Tech, 2014-02-07)Since the last century a lot of effort has been spent trying to analyze damage and crack evolution in solids. This field is of interest because of the many applications that require the study of the behavior of materials at the micro- or nanoscale, i.e. modeling of composites and advanced aerospace applications. Peridynamics is a recently developed theory that substitutes the differential equations that constitute classical continuum mechanics with integral equations. Since integral equations are valid at discontinuities and cracks, peridynamics is able to model fracture and damage in a more natural way, without having to work around mathematical singularities present in the classical continuum mechanics theory. The objective of the present work is to show how peridynamics can be implemented in finite element analysis (FEA) using a mesh of one-dimensional truss elements instead of 2-D surface elements. The truss elements can be taken as a representation of the bonds between molecules or particles in the body and their strength is found according to the physical properties of the material. The possibility implementing peridynamics in a finite element framework, the most used method for structural analysis, is critical for expanding the range of problems that can be analyzed, simplifying the verification of the code and for making fracture analysis computationally cheaper. The creation of an in-house code allows for easier modifications, customization and enrichment if more complex cases (such as multiscale modeling of composites or piezoresistive materials) are to be analyzed. The problems discussed in the present thesis involve plates with holes and inclusions subjected to tension. Displacement boundary conditions are applied in all cases. The results show good agreement with theory as well as with empirical observation. Stress concentrations reflect the behavior of materials in real life, cracks spontaneously initiate and debonding naturally happens at the right locations. Several examples clearly show this behavior and prove that peridynamics is a promising tool for stress and fracture analysis.
- Analysis, Design, and Experimentation of Beam-Like StructuresMiglani, Jitish (Virginia Tech, 2022-03-23)Significant research is ongoing in the world to meet the needs of social and environmental crisis by harnessing wind and solar energy at high altitudes. One such approach is the use of an inflatable High Altitude Aerial Platform (HAAP). In the presented work, such periodically supported beam-like structures are analyzed using various mathematical models primarily modeling them as an equivalent beam using one-dimensional theories. The Euler-Bernoulli Theory (EBT) has been widely used for high aspect ratio beams, whereas the First Order Shear Deformation Theory (FSDT), or the Timoshenko beam theory, considers transverse shear effects and hence is superior in modeling low aspect ratio beams. First, an Isogeometric Analysis (IGA) is conducted using both FSDT and EBT to predict thermal buckling of periodically supported composite beams. Isogeometric analysis overcomes the limitations of the Gibbs phenomenon at discontinuities for a periodically supported beam using a higher order textit{k}-refinement. Next, an Integral Equation Approach (IEA) is implemented using EBT to obtain natural frequencies and buckling loads of periodically supported non-prismatic beams. Ill-conditioning errors were alleviated using admissible orthogonal Chebychev polynomials to obtain higher modes. We also present the prediction of the onset of flutter instability for metal plate and inflatable wing shaped foam test articles analyzed using finite element analysis (FEA). FEA updating based on modal testing and by conducting a geometrically nonlinear analysis resulted in a good agreement against the experiment tests. Furthermore, a nonlinear co-rotational large displacement/rotation FEA including the effects of the pressure as a follower forces was implemented to predict deformations of an inflatable structures. The developed FEA based tool namely Structural Analysis of Inflatables using FEA (SAIF) was compared with the experiments and available literature. It is concluded that the validity of the developed tool depends on the flexibility of the beam, which further depends upon the length of the beam and the bending rigidity of the beam. Inflatable structures analyzed with materials with high value of the Young's modulus and low to medium slenderness ratio tend to perform better against the experimental data. This is attributed to the presence of wrinkling and/or the Brazier effect (ovalling of the cross section) for flexible beams. The presented work has applications in programmable buckling, uncertainty quantification, and design of futuristic HAAP models to help face the upcoming environmental crises and meet the societal needs.
- Analytical and Computational Micromechanics Analysis of the Effects of Interphase Regions, Orientation, and Clustering on the Effective Coefficient of Thermal Expansion of Carbon Nanotube-Polymer NanocompositesStephens, Skylar Nicholas (Virginia Tech, 2013-06-12)Analytic and computational micromechanics techniques based on the composite cylinders method and the finite element method, respectively, have been used to determine the effective coefficient of thermal expansion (CTE) of carbon nanotube-epoxy nanocomposites containing aligned nanotubes. Both techniques have been used in a parametric study of the influence of interphase stiffness and interphase CTE on the effective CTE of the nanocomposites. For both the axial and transverse CTE of aligned nanotube nanocomposites with and without interphase regions, the computational and analytic micromechanics techniques were shown to give similar results. The Mori-Tanka method has been used to account for the effect of randomly oriented fibers. Analytic and computational micromechanics techniques have also been used to assess the effects of clustering and clustering with interphase on the effective CTE components. Clustering is observed to have a minimal impact on the effective axial CTE of the nanocomposite and a 3-10%. However, there is a combined effect with clustering and one of the interphase layers.
- The Application of Flexible Structures into Carrier-Based Aircraft to Dissipate Landing EnergiesSchickling, Robert Scott (Virginia Tech, 2023-05-15)Aircraft designed for naval aircraft carriers experience great airframe stress during landing due to the high vertical velocities that they must maintain as a consequence of the extremely short runway and shallow landing angle of attack. This creates a need for structural rigidity to counteract the forces that land-based aircraft never experience. This is not ideal if it otherwise limits the performance and flying capabilities of the aircraft that are otherwise necessary for the environments they might find themselves in. As such, a new approach to protecting the aircraft from the immense loads they experience during landing could be to add flexibility to the airframe and landing gear, promoting deflection instead of failure. This thesis aims to investigate this idea, starting with an elementary set of tests, looking into material flexibility, and then moving on to adding this concept to progressively more advanced structural systems. Using balls of varying material, preliminary drop tests indicated that material flexibility could assist the dissipation of landing energies, showing that the coefficient of restitution increases with the stiffness. Drop tests involving mass-spring-damper systems as well as cantilever plates and transverse beams also indicated that the strain energy a body can absorb from a set load case can be increased if its flexibility also grows. This finding led to the important conclusion and finding that a flexible body can transfer and store at least 10 times its initial contribution of energy to a system in the form of strain energy. Through these tests, it was shown that flexible structures can be a beneficial design feature in combatting and dissipating vertical landing energies.
- Buckling Analysis of Composite Stiffened Panels and Shells in Aerospace StructureBeji, Faycel Ben Hedi (Virginia Tech, 2018-01-08)Stiffeners attached to composite panels and shells may significantly increase the overall buckling load of the resultant stiffened structure. Initially, an extensive literature review was conducted over the past ten years of published work wherein research was conducted on grid stiffened composite structures and stiffened panels, due to their applications in weight sensitive structures. Failure modes identified in the literature had been addressed and divided into a few categories including: buckling of the skin between stiffeners, stiffener crippling and overall buckling. Different methods have been used to predict those failures. These different methods can be divided into two main categories, the smeared stiffener method and the discrete stiffener method. Both of these methods were used and compared in this thesis. First, a buckling analysis was conducted for the case of a grid stiffened composite pressure vessel. Second, a buckling analysis was conducted under the compressive load on the composite stiffened panels for the case of one, two and three longitudinal stiffeners and then, using different parameters, stiffened panels under combined compressive and shear load for the case of one longitudinal centric stiffener and one longitudinal eccentric stiffener, two stiffeners and three stiffeners.
- Characterization of Electrically Controlled Gel Polymer Electrolyte MonopropellantsAutry, Harrison Ryan (Virginia Tech, 2023-05-04)Increasing interest in the development of nontoxic monopropellants for the replacement of hydrazine and its derivatives stems from the desire for safer and thus more cost-effective alternatives. Ionic liquid monopropellants based on the hydroxylammonium nitrate and ammonium dinitramide ionic oxidizer salts have received the majority of attention over the last two decades and present a promising alternative with higher performance and more attractive handling qualities than hydrazine. These monopropellants are employed using catalytic methods which lead to their decomposition and ignition. However, the development of compatible catalysts remains a limiting step in the technological readiness of these alternative monopropellants. Due to their ionic nature, the development of ionic liquid monopropellants has led to many investigations on the utilization of electrolysis to achieve combustion. Separately, there has been a longtime interest in the use of gelled propellants for enhanced handling and operating safety. Atomization and combustion inefficiencies associated with gels have continued to limit their use. Monopropellants composed of gel polymer electrolytes present a unique opportunity which combines the safety features of gelled propellants as well as the ionic conductivity seen in ionic liquids, allowing them to decompose and ignite electrolytically. In this research, a family of electrically controlled monopropellants that utilize electrolysis in this fashion was developed from a gel polymer electrolyte. Their fundamental properties, including those pertaining to rheology, conductivity, thermal stability, and combustion, are explored as the composition of the oxidizer salt is varied.
- Colloidal Processing, Microstructural Evolution, and Anisotropic Properties of Textured Ultra-High Temperature Ceramics Prepared Using Weak Magnetic FieldsShiraishi, Juan Diego (Virginia Tech, 2024-02-09)The texturing of ultra-high temperature ceramics (UHTCs) using weak magnetic fields is studied and developed for the first time. Textured UHTCs were prepared by magnetically assisted slip casting (MASC) in weak magnetic field (B ~ 0.5 T). Analytical calculations describing the balance of torques acting on the suspended particles suggested that texture would form at such low magnetic fields. The calculations include a novel contribution of Stokes drag arising from the inhomogeneous velocity profile of the fluid during slip casting. Experimental proof-of-concept of the theoretical calculations was successfully demonstrated. Calculations of Lotgering orientation factor (LOF) based on the intensities of the (00l) family of peaks measures by XRD revealed strong c-axis crystalline texture in TiB2 (LOF = 0.88) and ZrB2 (LOF = 0.79) along the direction of the magnetic field. Less texture was achieved in HfB2 (LOF = 0.39). In all cases, the density of the textured materials was less than that of control untextured materials, indicating that texturing hindered the densification. The findings from this work confirm the potential for more cost-effective, simple, and flexible processes to develop crystalline texture in UHTCs and other advanced ceramics and give new insight into the mechanisms of magnetic alignment of UHTCs under low magnetic fields. The microstructural evolution during slip casting and pressureless sintering is investigated. The interplay between magnetic alignment and particle packing was investigated using XRD and SEM. During MASC, the suspended particles rotate into their aligned configuration. Particles that deposit at the bottom of the mold near the plaster of Paris substrate have their alignment slightly disrupted over a ~220 μm-thick region. The aligned suspended particles lock into an aligned configuration as they consolidate, leading to a uniform degree of texturing across the entire sample height of several millimeters upon full consolidation of the particle network. If the magnetic field is removed before the particles fully consolidate, the suspended particles re-randomize their orientation. Grain size measurements done using the ASTM E112 line counting method on SEM images revealed anisotropic microstructures in green and sintered textured ZrB2 materials. Smaller effective grain sizes were observed in the direction of c-axis texture than the directions perpendicular to the texture. Grain aspect ratios of 1.20 and 1.13 were observed in materials where the c-axis texture directions were parallel (PAR) and perpendicular (PERP) to the slip casting direction, respectively. Constraint of the preferred a-axis grain growth direction in the textured materials inhibited their densification compared to the untextured material. The PERP material with the preferred grain growth direction constrained along the casting direction had smaller average grain sizes than the PAR material which contained the preferred grain growth directions in the circular plane normal to the casting direction. Compression testing suggests a trend towards higher strength and stiffness in materials with higher density. Classical catastrophic brittle failure was observed in the untextured materials, but in the textured materials some samples exhibited a multiple failure mode. The PERP material tended to exhibit superior strength and stiffness to the PAR material in the classical brittle failure mode due to the orientation of the stiffer a-axis along the loading direction and smaller average grain size in the plane normal to the loading direction in the PERP condition. In the multiple failure mode, the PAR material tended to reach higher strength values after the initial failure and reach slightly higher strains before ultimate failure due to the orientation of the compliant c-axis along the loading direction and ability of the grains elongated in the plane normal to the loading direction to rearrange themselves after initial failure(s). Regardless of density or texture condition, all ZrB2 samples survived thermal shock resistance (TSR) testing. Samples were heated to 1500°C in air, held for 30 minutes, then quenched in room temperature air. After TSR testing, oxide layers formed on the surface of the materials. The specific mass gain and oxide layer thickness tended to increase with increasing porosity and were dramatically increased when open porosity was dominant as in the CTRL 1900 condition. After TSR testing, the compressive strength and strain at failure were both higher compared to the as-sintered materials. The increases in the average compressive strength were 20%, 76%, and 57% in the CTRL, PAR, and PERP conditions, respectively. The combination of the presence of the oxide layer shifting the onset of macroscale damage to higher strain values, the dissipation of load in the more porous region near the oxide layer, and the constraining effect of the oxide layer acting against the expansion of the material contributed to reinforcement of the samples after TSR testing. The CTRL material outperformed the textured materials on average in terms of strength and stiffness due to the higher density. The results suggest that reinforcement was more effective in the PAR condition than the PERP, which may be caused by the formation of a homogenous oxide layer on the PAR while the PERP formed an anisotropic layer. The work presented in this dissertation lays the foundation for affordable, energy efficient preparation of UHTCs and other ceramic materials. Equipment costs are reduced by 3 orders of magnitude, and the operating costs and energy consumption are greatly reduced. Facilitation of the preparation of textured materials opens the door to renewed investigations into their processing and performance. This work describes in detail for the first time the relationships between processing, microstructure, and properties of a textured UHTC part, providing a model for future research. Finally, the findings in this work can be used to guide process optimization, exploration of complex shapes and microstructures, and design of manufacturing schemes to create specialty textured parts for demanding structural and functional applications.
- Compression After Impact Experiments and Analysis on Honeycomb Core Sandwich Panels with Thin FacesheetsMcQuigg, Thomas Dale (Virginia Tech, 2011-05-27)A better understanding of the effect of impact damage on composite structures is necessary to give the engineer an ability to design safe, efficient structures. Current composite structures suffer severe strength reduction under compressive loading conditions, due to even light damage, such as from low velocity impact. A review is undertaken to access the current state-of-development in the areas of experimental testing, and analysis methods. A set of experiments on Nomex honeycomb core sandwich panels, with thin woven fiberglass cloth facesheets, is described, which includes detailed instrumentation and unique observation techniques. These techniques include high speed video photography of compression after impact (CAI) failure, as well as, digital image correlation (DIC) for full-field deformation measurements. The effect of nominal core density on the observed failure mode is described. A finite element model (FEM) is developed to simulate the experiments performed in the current study. The purpose of this simulation is to predict the experimental test results, and to conrm the experimental test conclusions. A newly-developed, commercial implementation of the Multicontinuum Failure Theory (MCT) for progressive failure analysis (PFA) in composite laminates, Helius:MCT, is included in this model. The inclusion of PFA in the present model gives it the new, unique ability to account for multiple failure modes. In addition, significant impact damage detail is included in the model as a result of a large amount of easily available experimental test data. A sensitivity study is used to assess the effect of each damage detail on overall analysis results. Mesh convergence of the new FEM is also discussed. Analysis results are compared to the experimental results for each of the 32 CAI sandwich panel specimens tested to failure. The failure of each specimen is accurately predicted in a high-fidelity, physics-based simulation and the results highlight key improvements in the understanding of honeycomb core sandwich panel CAI failure. Finally, a parametric study highlights the strength benefits compared to mass penalty for various core densities.
- Computational Analysis of Elastic Moduli of Covalently Functionalized Carbon Nanomaterials, Infinitesimal Elastostatic Deformations of Doubly Curved Laminated Shells, and Curing of LaminatesShah, Priyal (Virginia Tech, 2017-04-05)We numerically analyze three mechanics problems described below. For each problem, the developed computational model is verified by comparing computed results for example problems with those available in the literature. Effective utilization of single wall carbon nanotubes (SWCNTs) and single layer graphene sheets (SLGSs) as reinforcements in nanocomposites requires their strong binding with the surrounding matrix. An effective technique to enhance this binding is to functionalize SWCNTs and SLGSs by covalent attachment of appropriate chemical groups. However, this damages their pristine structures that may degrade their mechanical properties. Here, we delineate using molecular mechanics simulations effects of covalent functionalization on elastic moduli of these nanomaterials. It is found that Young's modulus and the shear modulus of an SWCNT (SLGS), respectively, decrease by about 34% (73%) and 43% (42%) when 20% (10%) of carbon atoms are functionalized for each of the four functional groups of different polarities studied. A shell theory that gives results close to the solution of the corresponding 3-dimensional problem depends upon the shell geometry, applied loads, and initial and boundary conditions. Here, by using a third order shear and normal deformable theory and the finite element method (FEM), we delineate for a doubly curved shell deformed statically with general tractions and subjected to different boundary conditions effects of geometric parameters on in-plane and transverse stretching and bending deformations. These results should help designers decide when to consider effects of these deformation modes for doubly curved shells. Composite laminates are usually fabricated by curing resin pre-impregnated fiber layers in an autoclave under prescribed temperature and pressure cycles. A challenge is to reduce residual stresses developed during this process and simultaneously minimize the cure cycle time. Here, we use the FEM and a genetic algorithm to find the optimal cycle parameters. It is found that in comparison to the manufacturer's recommended cycle, for a laminate with the span/thickness of 12.5, one optimal cycle reduces residual stresses by 47% and the total cure time from 5 to 4 hours, and another reduces the total cure time to 2 hours and residual stresses by 8%.
- Computational Design of 2D-Mechanical MetamaterialsMcMillan, Kiara Lia (Virginia Tech, 2022-06-22)Mechanical metamaterials are novel materials that display unique properties from their underlying microstructure topology rather than the constituent material they are made from. Their effective properties displayed at macroscale depend on the design of their microstructural topology. In this work, two classes of mechanical metamaterials are studied within the 2D-space. The first class is made of trusses, referred to as truss-based mechanical metamaterials. These materials are studied through their application to a beam component, where finite element analysis is performed to determine how truss-based microstructures affect the displacement behavior of the beam. This analysis is further subsidized with the development of a graphical user interface, where users can design a beam made of truss-based microstructures to see how their design affects the beam's behavior. The second class of mechanical metamaterial investigated is made of self-assembled structures, called spinodoids. Their smooth topology makes them less prone to high stress concentrations present in truss-based mechanical metamaterials. A large database of spinodoids is generated in this study. Through data-driven modeling the geometry of the spinodoids is coupled with their Young's modulus value to approach inverse design under uncertainty. To see mechanical metamaterials applied to industry they need to be better understood and thoroughly characterized. Furthermore, more tools that specifically help push the ease in the design of these metamaterials are needed. This work aims to improve the understanding of mechanical metamaterials and develop efficient computational design strategies catered solely for them.
- A Computational Framework for Long-Term Atomistic Analysis of Solute Diffusion in NanomaterialsSun, Xingsheng (Virginia Tech, 2018-10-04)Diffusive Molecular Dynamics (DMD) is a class of recently developed computational methods for the simulation of long-term mass transport with a full atomic fidelity. Its basic idea is to couple a discrete kinetic model for the evolution of mass transport process with a non-equilibrium thermodynamics model that governs lattice deformation and supplies the requisite driving forces for kinetics. Compared to previous atomistic models, e.g., accelerated Molecular Dynamics and on-the-fly kinetic Monte Carlo, DMD allows the use of larger time-step sizes and hence has a larger simulation time window for mass transport problems. This dissertation focuses on the development, assessment and application of a DMD computational framework for the long-term, three-dimensional, deformation-diffusion coupled analysis of solute mass transport in nanomaterials. First, a computational framework is presented, which consists mainly of: (1) a computational model for interstitial solute diffusion, which couples a nonlinear optimization problem with a first-order nonlinear ordinary differential equation; (2) two numerical methods, i.e., mean field approximation and subcycling time integration, for accelerating DMD simulations; and (3) a high-performance computational solver, which is parallelized based on Message Passing Interface (MPI) and the PETSc/TAO library for large-scale simulations. Next, the computational framework is validated and assessed in two groups of numerical experiments that simulate hydrogen mass transport in palladium. Specifically, the framework is validated against a classical lattice random walk model. Its capability to capture the atomic details in nanomaterials over a long diffusive time scale is also demonstrated. In these experiments, the effects of the proposed numerical methods on solution accuracy and computation time are assessed quantitatively. Finally, the computational framework is employed to investigate the long-term hydrogen absorption into palladium nanoparticles with different sizes and shapes. Several significant findings are shown, including the propagation of an atomistically sharp phase boundary, the dynamics of solute-induced lattice deformation and stacking faults, and the effect of lattice crystallinity on absorption rate. Specifically, the two-way interaction between phase boundary propagation and stacking fault dynamics is noteworthy. The effects of particle size and shape on both hydrogen absorption and lattice deformation are also discussed in detail.
- Computational Investigation of Strain and Damage Sensing in Carbon Nanotube Reinforced Nanocomposites with Descriptive Statistical AnalysisTalamadupula, Krishna Kiran (Virginia Tech, 2020-09-11)Polymer bonded explosives (PBXs) are composites comprised of energetic crystals with a very high energy density surrounded by a polymer binder. The formation of hotspots within polymer bonded explosives can lead to the thermal decomposition and initiation of the energetic material. A frictional heating model is applied at the mesoscale to assess the potential for the formation of hotspots under low velocity impact loadings. Monitoring of the formation and growth of damage at the mesoscale is considered through the inclusion of a piezoresistive carbon nanotube network within the energetic binder providing embedded strain and damage sensing. A coupled multiphysics thermo-electro-mechanical peridynamics framework is developed to perform computational simulations on an energetic material microstructure subject to these low velocity impact loads. With increase in impact energy, the model predicts larger amounts of sensing and damage thereby supporting the use of carbon nanotubes to assess damage growth and subsequent formation of hotspots. The framework is also applied to assess the combined effects of thermal loading due to prescribed hotspots with inertial effects due to low velocity impact loading. It has been found that the present model is able to detect the presence of hotspot dominated regions within the energetic material through the piezoresistive sensing mechanism. The influence of prescribed hotspots on the thermo-electro-mechanical response of the energetic material under a combination of thermal and inertial loading was observed to dominate the lower velocity impact response via thermal shock damage. In contrast, the higher velocity impact energies demonstrated an inertially dominated damage response. Quantifying the piezoresistive effect derived from embedding carbon nanotubes in polymers remains a challenge since these nanocomposites exhibit significant variation in their electro-mechanical properties depending upon factors such as CNT volume fraction, CNT dispersion, CNT alignment and properties of the polymer. Of interest is electrical percolation where the electrical conductivity of the CNT/polymer nanocomposite increases through orders of magnitude with increase in CNT volume fraction. Estimates and distributions for the electrical conductivity and piezoresistive coefficients of the CNT/polymer nanocomposite are obtained and analyzed with increasing CNT volume fraction and varying barrier potential, which is a parameter that controls the extent of electron tunneling. The effect of CNT alignment is analyzed by comparing the electro-mechanical properties in the alignment direction versus the transverse direction for different orientation conditions. Estimates of piezoresistive coefficients are converted into gage factors and compared with experimental sources in literature. The methodology for this work uses automated scripts which are used in conjunction with high performance computing to generate several 5 μm ×5 μm realizations for different CNT volume fractions. These realizations are then analyzed using finite elements to obtain volume averaged effective values, which are then subsequently used to generate measures of central tendency (estimated mean) and variability (standard deviation, coefficient of variation, skewness and kurtosis) in a descriptive statistical analysis.
- Computational Micromechanics Analysis of Deformation and Damage Sensing in Carbon Nanotube Based NanocompositesChaurasia, Adarsh Kumar (Virginia Tech, 2016-05-03)The current state of the art in structural health monitoring is primarily reliant on sensing deformation of structures at discrete locations using sensors and detecting damage using techniques such as X-ray, microCT, acoustic emission, impedance methods etc., primarily employed at specified intervals of service life. There is a need to develop materials and structures with self-sensing capabilities such that deformation and damage state can be identified in-situ real time. In the current work, the inherent deformation and damage sensing capabilities of carbon nanotube (CNT) based nanocomposites are explored starting from the nanoscale electron hopping mechanism to effective macroscale piezoresistive response through finite elements based computational micromechanics techniques. The evolution of nanoscale conductive electron hopping pathways which leads to nanocomposite piezoresistivity is studied in detail along with its evolution under applied deformations. The nanoscale piezoresistive response is used to evaluate macroscale nanocomposite response by using analytical micromechanics methods. The effective piezoresistive response, obtained in terms of macroscale effective gauge factors, is shown to predict the experimentally obtained gauge factors published in the literature within reasonable tolerance. In addition, the effect of imperfect interface between the CNTs and the polymer matrix on the mechanical and piezoresistive properties is studied using coupled electromechanical cohesive zone modeling. It is observed that the interfacial separation and damage at the nanoscale leads to a larger nanocomposite irreversible piezoresistive response under monotonic and cyclic loading because of interfacial damage accumulation. As a sample application, the CNT-polymer nanocomposites are used as a binding medium for polycrystalline energetic materials where the nanocomposite binder piezoresistivity is exploited to provide inherent deformation and damage sensing. The nanocomposite binder medium is modeled using electromechanical cohesive zones with properties obtained through the Mori-Tanaka method allowing for different local CNT volume fractions and orientations. Finally, the traditional implementation of Material Point Method (MPM) is extended for composite problems with large deformation (e.g. large strain nanocomposite sensors with elastomer matrix) allowing for interfacial discontinuities appropriately. Overall, the current work evaluates nanocomposite piezoresistivity using a multiscale modeling framework and emphasizes through a sample application that nanocomposite piezoresistivity can be exploited for inherent sensing in materials.
- Computing Wall Thickness and Young's Modulus of Carbon Nanotubes with Atomistic Molecular Dynamics SimulationsAhmed, Tabassum (Virginia Tech, 2021-06-02)Carbon nanotubes (CNTs) are tubular structure of a layer or layers of carbon atoms. CNTs serve as a prototypical nanomaterial holding great promises for various basic and applied research applications in the fields of electrical, thermal, and structural materials owing to their superlative mechanical, thermal, electrical, optical, and chemical properties. Since the discovery of CNTs by Iijima in 1991, numerous researches have been conducted to quantify and understand the atomic origin of their high strength, exceptional thermal conductivity, and unique electrical properties. CNTs are also widely used as nanofillers in composite materials to enhance their mechanical properties such as fracture toughness and to serve as sensing agents. There is thus an imperative need to deeply understand the physical properties of CNTs and their responses to various models of deformations such as stretching, bending, twisting, and combinations thereof. In this thesis, we apply all-atom molecular dynamics simulations to study in detail the behavior of several single-walled, armchair CNTs under stretching and bending deformations, realized by imposing appropriate boundary conditions on the CNTs. The simulation results reveal unique scaling properties of the stretching and bending stiffness with respect to the CNT radius and length, which indicate that a single-walled CNT is best modeled as a thin cylindrical shell with a cross-sectional radius equal to the CNT radius and a constant wall thickness much smaller than the CNT radius. By studying the thermal fluctuations of carbon atoms on the CNT wall, the wall thickness is determined to be about 0.45~AA~for all the single-walled CNTs studied in this thesis and correspondingly, Young's modulus is estimated to be about 8.78 TPa for these CNTs.
- Coupled Electromechanical Peridynamics Modeling of Strain and Damage Sensing in Carbon Nanotube Reinforced Polymer NanocompositesPrakash, Naveen (Virginia Tech, 2017-09-05)This work explores the computational modeling of electromechanical problems using peridynamics and in particular, its application in studying the potential of carbon nanotube (CNT) reinforced nanocomposites for the purpose of sensing deformation and damage in materials. Peridynamics, a non-local continuum theory which was originally formulated for modeling problems in solid mechanics, has been extended in this research to electromechanical fields and applied to study the electromechanical properties of CNT nanocomposites at multiple length scales. Piezoresistivity is the coupling between the electrical properties of a material and applied mechanical loads, more specifically the change in resistance in response to deformation. This can include both, a geometric effect due to change in dimensions as well as the change in resistivity of the material itself. Nanocomposites referred to in this work are materials which consist of CNTs dispersed in a binding polymer matrix. The origins of the extraordinary piezoresistive properties of nanocomposites lie at the nanoscale where the non-local phenomenon of electron hopping plays a significant role in establishing the properties of the nanocomposite along with CNT network formation and inherent piezoresistivity of CNTs themselves. Electron hopping or tunneling allows for a current to flow between neighboring CNTs even when they are not in contact, provided the energy barrier for electrons to hop is small enough. This phenomenon is highly nonlinear with respect to the intertube distance and is also dependent on other factors such as the potential barrier of the polymer matrix. To investigate this in more detail, peridynamic simulations are first employed to study the piezoresistivity at the CNT bundle scale by considering a nanoscale representative volume element (RVE) of CNTs within polymer matrix, and by explicitly modeling electron hopping effects. This is done by introducing electron hopping bonds and it is shown that the conductivity and the non-local length scale parameter in peridynamics (the horizon) can be derived from a purely physics based model rather than assuming an ad-hoc value. Piezoresistivity can be characterized as a function of the deformation and damage within the material and thereby used as an in-situ indicator of the structural health of the material. As such, a material system for which real time in-situ monitoring may be useful is polymer bonded explosives. While these materials are designed for detonation under conditions of a strong shock, they can be damaged or even ignited under certain low magnitude impact scenarios such as during accidental drop or transportation. Since these materials are a heterogeneous system consisting of explosive grains within a polymer matrix binder, it is proposed that CNTs can be dispersed within the binder medium leading to an inherently piezoresistive hybrid nanocomposite bonded explosive material (NCBX) material which can then be monitored for a continuous assessment of deformation and damage within the material. To explore the potential use of CNT nanocomposites for this novel application, peridynamic simulations are carried out at the microscale level, first under quasistatic conditions and subsequently under dynamic conditions to allow the propagation of elastic waves. Peridynamics equations, which can be discretized to obtain a meshless method are particularly suited to this problem as the explicit modeling of crack initiation and propagation at the microscale is essential to understanding the properties of this material. Moreover, many other parameters such as electrical conductivity of the grain and the properties of the grain-binder interface are studied to understand their effect on the piezoresistive response of the material. For example, it is found that conductivity of the grain plays a major role in the piezoresistive response since it affects the preferential pathways of current density depending on the relative ease of flow through grain vs. binder. The results of this work are promising and are two fold. Peridynamics is found to be an effective method to model such materials, both at the nanoscale and the microscale. It alleviates some of difficulties faced by traditional finite element methods in the modeling of damage in materials and can be extended to coupled fields with relative ease. Secondly, simulations presented in this work show that there is much promise in this novel application of nanocomposites in the field of structural health monitoring of polymer bonded explosives.
- Design, Analysis, and Testing of Nanoparticle-Infused Thin Film Sensors for Low Skin Friction ApplicationsLeslie, Brian Robert (Virginia Tech, 2012-12-07)Accurate measurement of skin friction in complex flows is important for: documentation and monitoring of fluid system performance, input information for flow control, development of turbulence models and CFD validation. The goal of this study was to explore using new materials to directly measure skin friction in a more convenient way than available devices. Conventional direct measurement skin friction sensors currently in use are intrusive, requiring movable surface elements with gaps surrounding that surface, or require optical access for measurements. Conventional direct measurement sensors are also difficult to apply in low shear environments, in the 1-10 Pa range. A new thin, flexible, nanoparticle infused, piezoresistive material called Metal Rubber" was used to create sensors that can be applied to any surface. This was accomplished by using modern computerized finite element model multiphysics simulations of the material response to surface shear loads, in order to design a sensor configuration with a reduced footprint, minimal cross influence and increased sensitivity. These sensors were then built, calibrated in a fully-developed water channel flow and tested in both the NASA 20x28 inch Shear Flow Control Tunnel and a backwards facing step water flow. The results from these tests showed accurate responses, with no amplification to the sensor output, to shear levels in the range of 1-15 Pa. In addition, the computer model of these sensors was found to be useful for studying and developing refined sensor designs and for documenting sources of measurement uncertainty. These encouraging results demonstrate the potential of this material for skin friction sensor applications.
- The Development of a Novel Figure of Merit to Analyze Strain-Mediated Magnetoelectric AntennasGoforth, Michael Emory (Virginia Tech, 2021-11-09)Strain-mediated magnetoelastic composite materials are being considered for communication in lossy environments. Their consideration is attributable to predictions stating order of magnitude improvements over current antenna technology. The magnetic antenna design considered herein consists of three layers: 1) a piezoelectric layer, 2) a linear elastic layer, and 3) a magnetoelastic layer. The antenna operates by mediating strain through the device in a resonant bending mode. The magnetoelastic layer is stressed which results in a changing magnetization ultimately leading to a changing magnetostatic field in free space which acts as a signal for information transfer. In order to prove the efficacy of this approach finite element models have been developed to aid in the design and optimization process. Where these models fall short is in their overall run-time to fully resolve the coupled dynamics. It is for this reason that the work presented in this thesis focuses on the development of a figure of merit capable of predicting optimal bias conditions and geometries needing only the data from a static bias study from FEA. The material level magnetomechanical coupling factor is chosen as the foundation for the figure of merit. The figure of merit is then augmented to include structure level information regarding the demagnetizing field and the non-uniform stress distribution. The main results presented are the effects of including demagnetization and stress distributions, and most importantly the ability of the metric to predict the change in magnetization of the device. It is shown that for aspect ratios greater than roughly 2.5 the metric trends the same as the change in magnetization predicted by finite element simulations. The region of disagreement between the metric and the fully resolved finite element simulation is explained by tying back to underlying assumptions made during the formulation of the magnetometric demagnetization factor used in the analysis. The case is made for the figure of merit to be included in the analysis of strain-mediated antennas for its ability to find optimum designs while reducing the overall simulation run-time by an order of magnitude.
- Development of a Progressive Failure Model for Notched Woven Composite LaminatesMunden, Daniel Christopher (Virginia Tech, 2018-09-20)As part of the Composite Technology for Exploration (CTE) project at NASA, woven fabric composites are being investigated for their use in Space Launch System (SLS) hardware. Composites are more difficult to analyze than isotropic materials and require more complex methods for predicting failure. NASA is seeking a method for predicting the damage initiation and propagation of woven fabric composites in order to utilize these materials effectively in SLS hardware. This work focuses on notched woven fabric composites under tensile loading. An analytical model consisting of a macro-level failure criterion and damage propagation was developed and implemented in explicit finite element analysis to simulate woven composite materials. Several failure criteria and propagation models were investigated and compared. A response surface was used to better understand the effects of damage parameters on the failure load of a specimen. The model chosen to have best represented the physical specimen used the Tsai-Wu failure criterion. Additional physical tests are needed to further validate the model.
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