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Description
Recently, the use of zinc oxide (ZnO) nanowires as an interphase in composite materials has been demonstrated to increase the interfacial shear strength between carbon fiber and an epoxy matrix. In this research work, the strong adhesion between ZnO and carbon fiber is investigated to elucidate the interactions at the

Recently, the use of zinc oxide (ZnO) nanowires as an interphase in composite materials has been demonstrated to increase the interfacial shear strength between carbon fiber and an epoxy matrix. In this research work, the strong adhesion between ZnO and carbon fiber is investigated to elucidate the interactions at the interface that result in high interfacial strength. First, molecular dynamics (MD) simulations are performed to calculate the adhesive energy between bare carbon and ZnO. Since the carbon fiber surface has oxygen functional groups, these were modeled and MD simulations showed the preference of ketones to strongly interact with ZnO, however, this was not observed in the case of hydroxyls and carboxylic acid. It was also found that the ketone molecules ability to change orientation facilitated the interactions with the ZnO surface. Experimentally, the atomic force microscope (AFM) was used to measure the adhesive energy between ZnO and carbon through a liftoff test by employing highly oriented pyrolytic graphite (HOPG) substrate and a ZnO covered AFM tip. Oxygen functionalization of the HOPG surface shows the increase of adhesive energy. Additionally, the surface of ZnO was modified to hold a negative charge, which demonstrated an increase in the adhesive energy. This increase in adhesion resulted from increased induction forces given the relatively high polarizability of HOPG and the preservation of the charge on ZnO surface. It was found that the additional negative charge can be preserved on the ZnO surface because there is an energy barrier since carbon and ZnO form a Schottky contact. Other materials with the same ionic properties of ZnO but with higher polarizability also demonstrated good adhesion to carbon. This result substantiates that their induced interaction can be facilitated not only by the polarizability of carbon but by any of the materials at the interface. The versatility to modify the magnitude of the induced interaction between carbon and an ionic material provides a new route to create interfaces with controlled interfacial strength.
ContributorsGalan Vera, Magdian Ulises (Author) / Sodano, Henry A (Thesis advisor) / Jiang, Hanqing (Committee member) / Solanki, Kiran (Committee member) / Oswald, Jay (Committee member) / Speyer, Gil (Committee member) / Arizona State University (Publisher)
Created2013
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Description
Locomotion of microorganisms is commonly observed in nature and some aspects of their motion can be replicated by synthetic motors. Synthetic motors rely on a variety of propulsion mechanisms including auto-diffusiophoresis, auto-electrophoresis, and bubble generation. Regardless of the source of the locomotion, the motion of any motor can be characterized

Locomotion of microorganisms is commonly observed in nature and some aspects of their motion can be replicated by synthetic motors. Synthetic motors rely on a variety of propulsion mechanisms including auto-diffusiophoresis, auto-electrophoresis, and bubble generation. Regardless of the source of the locomotion, the motion of any motor can be characterized by the translational and rotational velocity and effective diffusivity. In a uniform environment the long-time motion of a motor can be fully characterized by the effective diffusivity. In this work it is shown that when motors possess both translational and rotational velocity the motor transitions from a short-time diffusivity to a long-time diffusivity at a time of pi/w. The short-time diffusivities are two to three orders of magnitude larger than the diffusivity of a Brownian sphere of the same size, increase linearly with concentration, and scale as v^2/2w. The measured long-time diffusivities are five times lower than the short-time diffusivities, scale as v^2/{2Dr [1 + (w/Dr )^2]}, and exhibit a maximum as a function of concentration. The variation of a colloid's velocity and effective diffusivity to its local environment (e.g. fuel concentration) suggests that the motors can accumulate in a bounded system, analogous to biological chemokinesis. Chemokinesis of organisms is the non-uniform equilibrium concentration that arises from a bounded random walk of swimming organisms in a chemical concentration gradient. In non-swimming organisms we term this response diffusiokinesis. We show that particles that migrate only by Brownian thermal motion are capable of achieving non-uniform pseudo equilibrium distribution in a diffusivity gradient. The concentration is a result of a bounded random-walk process where at any given time a larger percentage of particles can be found in the regions of low diffusivity than in regions of high diffusivity. Individual particles are not trapped in any given region but at equilibrium the net flux between regions is zero. For Brownian particles the gradient in diffusivity is achieved by creating a viscosity gradient in a microfluidic device. The distribution of the particles is described by the Fokker-Planck equation for variable diffusivity. The strength of the probe concentration gradient is proportional to the strength of the diffusivity gradient and inversely proportional to the mean probe diffusivity in the channel in accordance with the no flux condition at steady state. This suggests that Brownian colloids, natural or synthetic, will concentrate in a bounded system in response to a gradient in diffusivity and that the magnitude of the response is proportional to the magnitude of the gradient in diffusivity divided by the mean diffusivity in the channel.
ContributorsMarine, Nathan Arasmus (Author) / Posner, Jonathan D (Thesis advisor) / Adrian, Ronald J (Committee member) / Frakes, David (Committee member) / Phelan, Patrick E (Committee member) / Santos, Veronica J (Committee member) / Arizona State University (Publisher)
Created2013
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Description
Shock loading is a complex phenomenon that can lead to failure mechanisms such as strain localization, void nucleation and growth, and eventually spall fracture. Studying incipient stages of spall damage is of paramount importance to accurately determine initiation sites in the material microstructure where damage will nucleate and grow and

Shock loading is a complex phenomenon that can lead to failure mechanisms such as strain localization, void nucleation and growth, and eventually spall fracture. Studying incipient stages of spall damage is of paramount importance to accurately determine initiation sites in the material microstructure where damage will nucleate and grow and to formulate continuum models that account for the variability of the damage process due to microstructural heterogeneity. The length scale of damage with respect to that of the surrounding microstructure has proven to be a key aspect in determining sites of failure initiation. Correlations have been found between the damage sites and the surrounding microstructure to determine the preferred sites of spall damage, since it tends to localize at and around the regions of intrinsic defects such as grain boundaries and triple points. However, considerable amount of work still has to be done in this regard to determine the physics driving the damage at these intrinsic weak sites in the microstructure. The main focus of this research work is to understand the physical mechanisms behind the damage localization at these preferred sites. A crystal plasticity constitutive model is implemented with different damage criteria to study the effects of stress concentration and strain localization at the grain boundaries. A cohesive zone modeling technique is used to include the intrinsic strength of the grain boundaries in the simulations. The constitutive model is verified using single elements tests, calibrated using single crystal impact experiments and validated using bicrystal and multicrystal impact experiments. The results indicate that strain localization is the predominant driving force for damage initiation and evolution. The microstructural effects on theses damage sites are studied to attribute the extent of damage to microstructural features such as grain orientation, misorientation, Taylor factor and the grain boundary planes. The finite element simulations show good correlation with the experimental results and can be used as the preliminary step in developing accurate probabilistic models for damage nucleation.
ContributorsKrishnan, Kapil (Author) / Peralta, Pedro (Thesis advisor) / Mignolet, Marc (Committee member) / Sieradzki, Karl (Committee member) / Jiang, Hanqing (Committee member) / Oswald, Jay (Committee member) / Arizona State University (Publisher)
Created2013
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Description
This research examines several critical aspects of the so-called "film induced cleavage" model of stress corrosion cracking using silver-gold alloys as the parent-phase material. The model hypothesizes that the corrosion generates a brittle nanoporous film, which subsequently fractures forming a high-speed crack that is injected into the uncorroded parent-phase alloy.

This research examines several critical aspects of the so-called "film induced cleavage" model of stress corrosion cracking using silver-gold alloys as the parent-phase material. The model hypothesizes that the corrosion generates a brittle nanoporous film, which subsequently fractures forming a high-speed crack that is injected into the uncorroded parent-phase alloy. This high speed crack owing to its kinetic energy can penetrate beyond the corroded layer into the parent phase and thus effectively reducing strength of the parent phase. Silver-gold alloys provide an ideal system to study this effect, as hydrogen effect can be ruled out on thermodynamic basis. During corrosion of the silver-gold alloy, the less noble metal i.e. silver is removed from the system leaving behind a nanoporous gold (NPG) layer. In the case of polycrystalline material, this corrosion process proceeds deeper along the grain boundary than the matrix grain. All of the cracks with apparent penetration beyond the corroded (dealloyed) layer are intergranular. Our aim was to study the crack penetration depth along the grain boundary to ascertain whether the penetration occurs past the grain-boundary dealloyed depth. EDS and imaging in high-resolution aberration corrected scanning transmission electron microscope (STEM) and atom probe tomography (APT) have been used to evaluate the grain boundary corrosion depth.

The mechanical properties of monolithic NPG are also studied. The motivation behind this is two-fold. The crack injection depth depends on the speed of the crack formed in the nanoporous layer, which in turn depends on the mechanical properties of the NPG. Also NPG has potential applications in actuation, sensing and catalysis. The measured value of the Young's modulus of NPG with 40 nm ligament size and 28% density was ~ 2.5 GPa and the Poisson's ratio was ~ 0.20. The fracture stress was observed to be ~ 11-13 MPa. There was no significant change observed between these mechanical properties on oxidation of NPG at 1.4 V. The fracture toughness value for the NPG was ~ 10 J/m2. Also dynamic fracture tests showed that the NPG is capable of supporting crack velocities ~ 100 - 180 m/s.
ContributorsBadwe, Nilesh (Author) / Sieradzki, Karl (Thesis advisor) / Peralta, Pedro (Committee member) / Oswald, Jay (Committee member) / Mahajan, Ravi (Committee member) / Arizona State University (Publisher)
Created2014
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Description
Structural features of canonical wall-bounded turbulent flows are described using several techniques, including proper orthogonal decomposition (POD). The canonical wall-bounded turbulent flows of channels, pipes, and flat-plate boundary layers include physics important to a wide variety of practical fluid flows with a minimum of geometric complications. Yet, significant questions remain

Structural features of canonical wall-bounded turbulent flows are described using several techniques, including proper orthogonal decomposition (POD). The canonical wall-bounded turbulent flows of channels, pipes, and flat-plate boundary layers include physics important to a wide variety of practical fluid flows with a minimum of geometric complications. Yet, significant questions remain for their turbulent motions' form, organization to compose very long motions, and relationship to vortical structures. POD extracts highly energetic structures from flow fields and is one tool to further understand the turbulence physics. A variety of direct numerical simulations provide velocity fields suitable for detailed analysis. Since POD modes require significant interpretation, this study begins with wall-normal, one-dimensional POD for a set of turbulent channel flows. Important features of the modes and their scaling are interpreted in light of flow physics, also leading to a method of synthesizing one-dimensional POD modes. Properties of a pipe flow simulation are then studied via several methods. The presence of very long streamwise motions is assessed using a number of statistical quantities, including energy spectra, which are compared to experiments. Further properties of energy spectra, including their relation to fictitious forces associated with mean Reynolds stress, are considered in depth. After reviewing salient features of turbulent structures previously observed in relevant experiments, structures in the pipe flow are examined in greater detail. A variety of methods reveal organization patterns of structures in instantaneous fields and their associated vortical structures. Properties of POD modes for a boundary layer flow are considered. Finally, very wide modes that occur when computing POD modes in all three canonical flows are compared. The results demonstrate that POD extracts structures relevant to characterizing wall-bounded turbulent flows. However, significant care is necessary in interpreting POD results, for which modes can be categorized according to their self-similarity. Additional analysis techniques reveal the organization of smaller motions in characteristic patterns to compose very long motions in pipe flows. The very large scale motions are observed to contribute large fractions of turbulent kinetic energy and Reynolds stress. The associated vortical structures possess characteristics of hairpins, but are commonly distorted from pristine hairpin geometries.
ContributorsBaltzer, Jon Ronald (Author) / Adrian, Ronald J (Thesis advisor) / Calhoun, Ronald (Committee member) / Gelb, Anne (Committee member) / Herrmann, Marcus (Committee member) / Squires, Kyle D (Committee member) / Arizona State University (Publisher)
Created2012
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Description
The objective of this research is to develop robust, accurate, and adaptive algorithms in the framework of the extended finite element method (XFEM) for fracture analysis of highly heterogeneous materials with complex internal geometries. A key contribution of this work is the creation of novel methods designed to automate the

The objective of this research is to develop robust, accurate, and adaptive algorithms in the framework of the extended finite element method (XFEM) for fracture analysis of highly heterogeneous materials with complex internal geometries. A key contribution of this work is the creation of novel methods designed to automate the incorporation of high-resolution data, e.g. from X-ray tomography, that can be used to better interpret the enormous volume of data generated in modern in-situ experimental testing. Thus new algorithms were developed for automating analysis of complex microstructures characterized by segmented tomographic images.

A centrality-based geometry segmentation algorithm was developed to accurately identify discrete inclusions and particles in composite materials where limitations in imaging resolution leads to spurious connections between particles in close contact.To allow for this algorithm to successfully segment geometry independently of particle size and shape, a relative centrality metric was defined to allow for a threshold centrality criterion for removal of voxels that spuriously connect distinct geometries.

To automate incorporation of microstructural information from high-resolution images, two methods were developed that initialize signed distance fields on adaptively-refined finite element meshes. The first method utilizes a level set evolution equation that is directly solved on the finite element mesh through Galerkins method. The evolution equation is formulated to produce a signed distance field that matches geometry defined by a set of voxels segmented from tomographic images. The method achieves optimal convergence for the order of elements used. In a second approach, the fast marching method is employed to initialize a distance field on a uniform grid which is then projected by least squares onto a finite element mesh. This latter approach is shown to be superior in speed and accuracy.

Lastly, extended finite element method simulations are performed for the analysis of particle fracture in metal matrix composites with realistic particle geometries initialized from X-ray tomographic data. In the simulations, particles fracture probabilistically through a Weibull strength distribution. The model is verified through comparisons with the experimentally-measured stress-strain response of the material as well as analysis of the fracture. Further, simulations are then performed to analyze the effect of mesh sensitivity, the effect of fracture of particles on their neighbors, and the role of a particles shape on its fracture probability.
ContributorsYuan, Rui (Author) / Oswald, Jay (Thesis advisor) / Chawla, Nikhilesh (Committee member) / Liu, Yongming (Committee member) / Solanki, Kiran (Committee member) / Chen, Kangping (Committee member) / Arizona State University (Publisher)
Created2015
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Description
The exceptional mechanical properties of polymers with heterogeneous structure, such as the high toughness of polyethylene and the excellent blast-protection capability of polyurea, are strongly related to their morphology and nanoscale structure. Different polymer microstructures, such as semicrystalline morphology and segregated nanophases, lead to coordinated molecular motions during deformation

The exceptional mechanical properties of polymers with heterogeneous structure, such as the high toughness of polyethylene and the excellent blast-protection capability of polyurea, are strongly related to their morphology and nanoscale structure. Different polymer microstructures, such as semicrystalline morphology and segregated nanophases, lead to coordinated molecular motions during deformation in order to preserve compatibility between the different material phases. To study molecular relaxation in polyethylene, a coarse-grained model of polyethylene was calibrated to match the local structural variable distributions sampled from supercooled atomistic melts. The coarse-grained model accurately reproduces structural properties, e.g., the local structure of both the amorphous and crystalline phases, and thermal properties, e.g., glass transition and melt temperatures, and dynamic properties: including the vastly different relaxation time scales of the amorphous and crystalline phases. A hybrid Monte Carlo routine was developed to generate realistic semicrystalline configurations of polyethylene. The generated systems accurately predict the activation energy of the alpha relaxation process within the crystalline phase. Furthermore, the models show that connectivity to long chain segments in the amorphous phase increases the energy barrier for chain slip within crystalline phase. This prediction can guide the development of tougher semicrystalline polymers by providing a fundamental understanding of how nanoscale morphology contributes to chain mobility. In a different study, the macroscopic shock response of polyurea, a phase segregated copolymer, was analyzed using density functional theory (DFT) molecular dynamics (MD) simulations and classical MD simulations. The two models predict the shock response consistently up to shock pressures of 15 GPa, beyond which the DFT-based simulations predict a softer response. From the DFT simulations, an analysis of bond scission was performed as a first step in developing a more fundamental understanding of how shock induced material transformations effect the shock response and pressure dependent strength of polyurea subjected to extreme shocks.
ContributorsLi, Yiyang (Author) / Oswald, Jay (Thesis advisor) / Rajan, Subramaniam D. (Committee member) / Solanki, Kiran (Committee member) / Chamberlin, Ralph (Committee member) / Rajagopalan, Jagannathan (Committee member) / Arizona State University (Publisher)
Created2017
Description
Rapid expansion of dense beds of fine, spherical particles subjected to rapid depressurization is studied in a vertical shock tube. As the particle bed is unloaded, a high-speed video camera captures the dramatic evolution of the particle bed structure. Pressure transducers are used to measure the dynamic pressure changes during

Rapid expansion of dense beds of fine, spherical particles subjected to rapid depressurization is studied in a vertical shock tube. As the particle bed is unloaded, a high-speed video camera captures the dramatic evolution of the particle bed structure. Pressure transducers are used to measure the dynamic pressure changes during the particle bed expansion process. Image processing, signal processing, and Particle Image Velocimetry techniques, are used to examine the relationships between particle size, initial bed height, bed expansion rate, and gas velocities.

The gas-particle interface and the particle bed as a whole expand and evolve in stages. First, the bed swells nearly homogeneously for a very brief period of time (< 2ms). Shortly afterward, the interface begins to develop instabilities as it continues to rise, with particles nearest the wall rising more quickly. Meanwhile, the bed fractures into layers and then breaks down further into cellular-like structures. The rate at which the structural evolution occurs is shown to be dependent on particle size. Additionally, the rate of the overall bed expansion is shown to be dependent on particle size and initial bed height.

Taller particle beds and beds composed of smaller-diameter particles are found to be associated with faster bed-expansion rates, as measured by the velocity of the gas-particle interface. However, the expansion wave travels more slowly through these same beds. It was also found that higher gas velocities above the the gas-particle interface measured \textit{via} Particle Image Velocimetry or PIV, were associated with particle beds composed of larger-diameter particles. The gas dilation between the shocktube diaphragm and the particle bed interface is more dramatic when the distance between the gas-particle interface and the diaphragm is decreased-as is the case for taller beds.

To further elucidate the complexities of this multiphase compressible flow, simple OpenFOAM (Weller, 1998) simulations of the shocktube experiment were performed and compared to bed expansion rates, pressure fluctuations, and gas velocities. In all cases, the trends and relationships between bed height, particle diameter, with expansion rates, pressure fluctuations and gas velocities matched well between experiments and simulations. In most cases, the experimentally-measured bed rise rates and the simulated bed rise rates matched reasonably well in early times. The trends and overall values of the pressure fluctuations and gas velocities matched well between the experiments and simulations; shedding light on the effects each parameter has on the overall flow.
ContributorsZunino, Heather (Author) / Adrian, Ronald J (Thesis advisor) / Clarke, Amanda (Committee member) / Chen, Kangping (Committee member) / Herrmann, Marcus (Committee member) / Huang, Huei-Ping (Committee member) / Arizona State University (Publisher)
Created2019
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Description
Fracture phenomena have been extensively studied in the last several decades. Continuum mechanics-based approaches, such as finite element methods and extended finite element methods, are widely used for fracture simulation. One well-known issue of these approaches is the stress singularity resulted from the spatial discontinuity at the crack tip/front. The

Fracture phenomena have been extensively studied in the last several decades. Continuum mechanics-based approaches, such as finite element methods and extended finite element methods, are widely used for fracture simulation. One well-known issue of these approaches is the stress singularity resulted from the spatial discontinuity at the crack tip/front. The requirement of guiding criteria for various cracking behaviors, such as initiation, propagation, and branching, also poses some challenges. Comparing to the continuum based formulation, the discrete approaches, such as lattice spring method, discrete element method, and peridynamics, have certain advantages when modeling various fracture problems due to their intrinsic characteristics in modeling discontinuities.

A novel, alternative, and systematic framework based on a nonlocal lattice particle model is proposed in this study. The uniqueness of the proposed model is the inclusion of both pair-wise local and multi-body nonlocal potentials in the formulation. First, the basic ideas of the proposed framework for 2D isotropic solid are presented. Derivations for triangular and square lattice structure are discussed in detail. Both mechanical deformation and fracture process are simulated and model verification and validation are performed with existing analytical solutions and experimental observations. Following this, the extension to general 3D isotropic solids based on the proposed local and nonlocal potentials is given. Three cubic lattice structures are discussed in detail. Failure predictions using the 3D simulation are compared with experimental testing results and very good agreement is observed. Next, a lattice rotation scheme is proposed to account for the material orientation in modeling anisotropic solids. The consistency and difference compared to the classical material tangent stiffness transformation method are discussed in detail. The implicit and explicit solution methods for the proposed lattice particle model are also discussed. Finally, some conclusions and discussions based on the current study are drawn at the end.
ContributorsChen, Hailong (Author) / Liu, Yongming (Thesis advisor) / Jiao, Yang (Committee member) / Mignolet, Marc (Committee member) / Oswald, Jay (Committee member) / Solanki, Kiran (Committee member) / Arizona State University (Publisher)
Created2015
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Description
Polymer matrix composites (PMCs) are attractive structural materials due to their high stiffness to low weight ratio. However, unidirectional PMCs have low shear strength and failure can occur along kink bands that develop on compression due to plastic microbuckling that carry strains large enough to induce nonlinear matrix deformation. Reviewing

Polymer matrix composites (PMCs) are attractive structural materials due to their high stiffness to low weight ratio. However, unidirectional PMCs have low shear strength and failure can occur along kink bands that develop on compression due to plastic microbuckling that carry strains large enough to induce nonlinear matrix deformation. Reviewing the literature, a large fraction of the existing work is for uniaxial compression, and the effects of stress gradients, such as those present during bending, have not been as well explored, and these effects are bound to make difference in terms of kink band nucleation and growth. Furthermore, reports on experimental measurements of strain fields leading to and developing inside these bands in the presence of stress gradients are also scarce and need to be addressed to gain a full understanding of their behavior when UDCs are used under bending and other spatially complex stress states.

In a light to bridge the aforementioned gaps, the primary focus of this work is to understand mechanisms for kink band evolution under an influence of stress-gradients induced during bending. Digital image correlation (DIC) is used to measure strains inside and around the kink bands during 3-point bending of samples with 0°/90° stacking made of Ultra-High Molecular Weight Polyethylene Fibers. Measurements indicate bands nucleate at the compression side and propagate into the sample carrying a mixture of large shear and normal strains (~33%), while also decreasing its bending stiffness. Failure was produced by a combination of plastic microbuckling and axial splitting. The microstructure of the kink bands was studied and used in a microstructurally explicit finite element model (FEM) to analyze stresses and strains at ply level in the samples during kink band evolution, using cohesive zone elements to represent the interfaces between plies. Cohesive element properties were deduced by a combination of delamination, fracture and three-point bending tests used to calibrate the FEMs. Modeling results show that the band morphology is sensitive to the shear and opening properties of the interfaces between the plies.
ContributorsPatel, Jay K (Author) / Peralta, Pedro D (Thesis advisor) / Oswald, Jay (Committee member) / Jiang, Hanqing (Committee member) / Solanki, Kiran (Committee member) / Ayyar, Adarsh (Committee member) / Arizona State University (Publisher)
Created2016