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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
Aluminum alloys and their composites are attractive materials for applications requiring high strength-to-weight ratios and reasonable cost. Many of these applications, such as those in the aerospace industry, undergo fatigue loading. An understanding of the microstructural damage that occurs in these materials is critical in assessing their fatigue resistance. Two

Aluminum alloys and their composites are attractive materials for applications requiring high strength-to-weight ratios and reasonable cost. Many of these applications, such as those in the aerospace industry, undergo fatigue loading. An understanding of the microstructural damage that occurs in these materials is critical in assessing their fatigue resistance. Two distinct experimental studies were performed to further the understanding of fatigue damage mechanisms in aluminum alloys and their composites, specifically fracture and plasticity. Fatigue resistance of metal matrix composites (MMCs) depends on many aspects of composite microstructure. Fatigue crack growth behavior is particularly dependent on the reinforcement characteristics and matrix microstructure. The goal of this work was to obtain a fundamental understanding of fatigue crack growth behavior in SiC particle-reinforced 2080 Al alloy composites. In situ X-ray synchrotron tomography was performed on two samples at low (R=0.1) and at high (R=0.6) R-ratios. The resulting reconstructed images were used to obtain three-dimensional (3D) rendering of the particles and fatigue crack. Behaviors of the particles and crack, as well as their interaction, were analyzed and quantified. Four-dimensional (4D) visual representations were constructed to aid in the overall understanding of damage evolution. During fatigue crack growth in ductile materials, a plastic zone is created in the region surrounding the crack tip. Knowledge of the plastic zone is important for the understanding of fatigue crack formation as well as subsequent growth behavior. The goal of this work was to quantify the 3D size and shape of the plastic zone in 7075 Al alloys. X-ray synchrotron tomography and Laue microdiffraction were used to non-destructively characterize the volume surrounding a fatigue crack tip. The precise 3D crack profile was segmented from the reconstructed tomography data. Depth-resolved Laue patterns were obtained using differential-aperture X-ray structural microscopy (DAXM), from which peak-broadening characteristics were quantified. Plasticity, as determined by the broadening of diffracted peaks, was mapped in 3D. Two-dimensional (2D) maps of plasticity were directly compared to the corresponding tomography slices. A 3D representation of the plastic zone surrounding the fatigue crack was generated by superimposing the mapped plasticity on the 3D crack profile.
ContributorsHruby, Peter (Author) / Chawla, Nikhilesh (Thesis advisor) / Solanki, Kiran (Committee member) / Liu, Yongming (Committee member) / Arizona State University (Publisher)
Created2014
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Description
Hydrogen embrittlement (HE) is a phenomenon that affects both the physical and chemical properties of several intrinsically ductile metals. Consequently, understanding the mechanisms behind HE has been of particular interest in both experimental and modeling research. Discrepancies between experimental observations and modeling results have led to various proposals for HE

Hydrogen embrittlement (HE) is a phenomenon that affects both the physical and chemical properties of several intrinsically ductile metals. Consequently, understanding the mechanisms behind HE has been of particular interest in both experimental and modeling research. Discrepancies between experimental observations and modeling results have led to various proposals for HE mechanisms. Therefore, to gain insights into HE mechanisms in iron, this dissertation aims to investigate several key issues involving HE such as: a) the incipient crack tip events; b) the cohesive strength of grain boundaries (GBs); c) the dislocation-GB interactions and d) the dislocation mobility.

The crack tip, which presents a preferential trap site for hydrogen segregation, was examined using atomistic methods and the continuum based Rice-Thompson criterion as sufficient concentration of hydrogen can alter the crack tip deformation mechanism. Results suggest that there is a plausible co-existence of the adsorption induced dislocation emission and hydrogen enhanced decohesion mechanisms. In the case of GB-hydrogen interaction, we observed that the segregation of hydrogen along the interface leads to a reduction in cohesive strength resulting in intergranular failure. A methodology was further developed to quantify the role of the GB structure on this behavior.

GBs play a fundamental role in determining the strengthening mechanisms acting as an impediment to the dislocation motion; however, the presence of an unsurmountable barrier for a dislocation can generate slip localization that could further lead to intergranular crack initiation. It was found that the presence of hydrogen increases the strain energy stored within the GB which could lead to a transition in failure mode. Finally, in the case of body centered cubic metals, understanding the complex screw dislocation motion is critical to the development of an accurate continuum description of the plastic behavior. Further, the presence of hydrogen has been shown to drastically alter the plastic deformation, but the precise role of hydrogen is still unclear. Thus, the role of hydrogen on the dislocation mobility was examined using density functional theory and atomistic simulations. Overall, this dissertation provides a novel atomic-scale understanding of the HE mechanism and development of multiscale tools for future endeavors.
ContributorsAdlakha, Ilaksh (Author) / Solanki, Kiran (Thesis advisor) / Mignolet, Marc (Committee member) / Chawla, Nikhilesh (Committee member) / Jiang, Hanqing (Committee member) / Liu, Yongming (Committee member) / Arizona State University (Publisher)
Created2015
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Description
Improved knowledge connecting the chemistry, structure, and properties of polymers is necessary to develop advanced materials in a materials-by-design approach. Molecular dynamics (MD) simulations can provide tremendous insight into how the fine details of chemistry, molecular architecture, and microstructure affect many physical properties; however, they face well-known restrictions in their

Improved knowledge connecting the chemistry, structure, and properties of polymers is necessary to develop advanced materials in a materials-by-design approach. Molecular dynamics (MD) simulations can provide tremendous insight into how the fine details of chemistry, molecular architecture, and microstructure affect many physical properties; however, they face well-known restrictions in their applicable temporal and spatial scales. These limitations have motivated the development of computationally-efficient, coarse-grained methods to investigate how microstructural details affect thermophysical properties. In this dissertation, I summarize my research work in structure-based coarse-graining methods to establish the link between molecular-scale structure and macroscopic properties of two different polymers. Systematically coarse-grained models were developed to study the viscoelastic stress response of polyurea, a copolymer that segregates into rigid and viscous phases, at time scales characteristic of blast and impact loading. With the application of appropriate scaling parameters, the coarse-grained models can predict viscoelastic properties with a speed up of 5-6 orders of magnitude relative to the atomistic MD models. Coarse-grained models of polyethylene were also created to investigate the thermomechanical material response under shock loading. As structure-based coarse-grained methods are generally not transferable to states different from which they were calibrated at, their applicability for modeling non-equilibrium processes such as shock and impact is highly limited. To address this problem, a new model is developed that incorporates many-body interactions and is calibrated across a range of different thermodynamic states using a least square minimization scheme. The new model is validated by comparing shock Hugoniot properties with atomistic and experimental data for polyethylene. Lastly, a high fidelity coarse-grained model of polyethylene was constructed that reproduces the joint-probability distributions of structural variables such as the distributions of bond lengths and bond angles between sequential coarse-grained sites along polymer chains. This new model accurately represents the structure of both the amorphous and crystal phases of polyethylene and enabling investigation of how polymer processing such as cold-drawing and bulk crystallization affect material structure at significantly larger time and length scales than traditional molecular simulations.
ContributorsAgrawal, Vipin (Author) / Oswald, Jay (Thesis advisor) / Peralta, Pedro (Committee member) / Chamberlin, Ralph (Committee member) / Solanki, Kiran (Committee member) / Jiao, Yang (Committee member) / Arizona State University (Publisher)
Created2016
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Description
The study of response of various materials to intense dynamic loading events,

such as shock loading due to high-velocity impacts, is extremely important in a wide

variety of military and industrial applications. Shock loading triggers extreme states,

leading to high pressures and strain rates, and neglecting strength is a typical

approximation under such conditions.

The study of response of various materials to intense dynamic loading events,

such as shock loading due to high-velocity impacts, is extremely important in a wide

variety of military and industrial applications. Shock loading triggers extreme states,

leading to high pressures and strain rates, and neglecting strength is a typical

approximation under such conditions. However, recent results have shown that strength

effects are larger than expected, so they must be taken into account. Recently,

hydrodynamic instabilities, the most common being the Rayleigh-Taylor (RTI) and

Richtmyer-Meshkov (RMI) instabilities, have been used to infer the dynamic strength of

materials at high pressure conditions. In our experiments and simulations, a novel RMI

approach is used, in which periodic surface perturbations are made on high purity

aluminium target, which was laser ablated to create a rippled shock front. Due to the

slow linear growth rate of RMI, the evolution of the perturbations on the back surface of

the sample as a result of the rippled shock can be measured via Transient Imaging

Displacement Interferometry (TIDI). The velocity history at the free surface was

recorded by spatially resolved laser velocimetry. These measurements were compared

with the results from the simulations, which were implemented using rate independent

and rate dependent material models, to characterize the dynamic strength of the

material. Simulations using the elastic-perfectly plastic model, which is rate

independent, failed to provide a value of dynamic yield strength that would match

experimental measurements of perturbation amplitudes. The Preston-Tonks-Wallace

(PTW) model, which is rate dependent model, worked well for aluminium. This model

was, in turn, used as a reference for calibrating the rate dependent Steinberg-Lund

model and the results from simulations using the calibration models were also compared

to experimental measurements.
ContributorsGopalakrishnan, Ashish (Author) / Peralta, Pedro (Thesis advisor) / Rajagopalan, Jagannathan (Committee member) / Solanki, Kiran (Committee member) / Arizona State University (Publisher)
Created2017
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Description
In real world applications, materials undergo a simultaneous combination of tension, compression, and torsion as a result of high velocity impact. The split Hopkinson pressure bar (SHPB) is an effective tool for analyzing stress-strain response of materials at high strain rates but currently little can be done to produce a

In real world applications, materials undergo a simultaneous combination of tension, compression, and torsion as a result of high velocity impact. The split Hopkinson pressure bar (SHPB) is an effective tool for analyzing stress-strain response of materials at high strain rates but currently little can be done to produce a synchronized combination of these varying impacts. This research focuses on fabricating a flange which will be mounted on the incident bar of a SHPB and struck perpendicularly by a pneumatically driven striker thus allowing for torsion without interfering with the simultaneous compression or tension. Analytical calculations are done to determine size specifications of the flange to protect against yielding or failure. Based on these results and other design considerations, the flange and a complementary incident bar are created. Timing can then be established such that the waves impact the specimen at the same time causing simultaneous loading of a specimen. This thesis allows research at Arizona State University to individually incorporate all uniaxial deformation modes (tension, compression, and torsion) at high strain rates as well as combining either of the first two modes with torsion. Introduction of torsion will expand the testing capabilities of the SHPB at ASU and allow for more in depth analysis of the mechanical behavior of materials under impact loading. Combining torsion with tension or compression will promote analysis of a material's adherence to the Von Mises failure criterion. This greater understanding of material behavior can be implemented into models and simulations thereby improving the accuracy with which engineers can design new structures.
ContributorsVotroubek, Edward Daniel (Author) / Solanki, Kiran (Thesis director) / Oswald, Jay (Committee member) / Mechanical and Aerospace Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2016-05
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Description
Surface Mechanical Attrition Treatment (SMAT) is a process used to coat metallic alloy surfaces with a nanocrystallized layer via mechanical abrasion. SMAT has garnered a significant amount of interest from the scientific community as a surface treatment technique due to the ability of this fine grain top layer to provide

Surface Mechanical Attrition Treatment (SMAT) is a process used to coat metallic alloy surfaces with a nanocrystallized layer via mechanical abrasion. SMAT has garnered a significant amount of interest from the scientific community as a surface treatment technique due to the ability of this fine grain top layer to provide several benefits to its constituent alloy, namely significantly higher hardness, fatigue strength, and most pertinently, greatly improved corrosion resistance. Emerging research suggests that SMAT can also be used to apply powder coatings onto target substrates. A given substrate can be installed in a ball mill, where stainless steel balls coated with pure elemental powder deliver sustained impact onto the substrate, embedding the powders onto its surface. This paper will explore the process of coating aluminum 7075 coating with chromium powder via SMAT, and the effects doing so will have on the corrosion resistance properties of the aluminum 7075. Traditionally, high-strength alloys have been treated with chromium via the process of electroplating, where the alloys are subjected to a hexavalent chromium plating procedure that is known to risk releasing toxic carcinogens into the environment. Coating these alloys with SMAT could minimize such negative externalities, while yielding benefits unique to the SMAT coating process itself. Baseline corrosion testing reveals that the corrosion resistance properties of the aluminum 7075 improved marginally when exposed to SMAT without the addition of any chromium powder. A literature review conducted in this paper of select studies on SMAT coating also demonstrates that material properties intrinsic to aluminum 7075 and pure chromium powder, as well as interaction effects occurring between aluminum and chromium when subjected to mechanical alloying, could enable the SMAT coating of aluminum 7075 with chromium to result in greatly enhanced corrosion resistance properties. While this was not accomplished within the duration of the Honors Project due to logistical difficulties brought forth by the COVID-19 epidemic, the baseline corrosion testing performed, as well as the literature review of studies directly relevant to the matter, should hopefully provide some information of value in any future exploration of the topic.
ContributorsMcManus, Matthew Harada (Co-author, Co-author) / Solanki, Kiran (Thesis director) / Beura, Vikrant (Committee member) / School of Politics and Global Studies (Contributor) / Mechanical and Aerospace Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2020-05