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- All Subjects: Materials Science
- All Subjects: Molecular Dynamics
- Creators: Solanki, Kiran
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 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
Description
With increasing concerns of the intrinsic toxicity of lead (Pb) in electronics, a series of tin (Sn) based alloys involving silver (Ag) and copper (Cu) have been proposed as replacements for Pb-Sn solder and widely accepted by industry. However, they have a higher melting point and often exhibit poorer damage tolerance than Pb-Sn alloys. Recently, a new class of alloys with trace amount of rare-earth (RE) elements has been discovered and investigated. In previous work from Prof. Chawla's group, it has been shown that cerium (Ce)-based Pb-free solder are less prone to oxidation and Sn whiskering, and exhibit desirable attributes of microstructural refinement and enhanced ductility relative to lanthanum (La)-based Sn-3.9Ag-0.7Cu (SAC) alloy. Although the formation of RESn3 was believed to be directly responsible for the enhanced ductility in RE-containing SAC solder by allowing microscopic voids to nucleate throughout the solder volume, this cavitation-based mechanism needs to be validated experimentally and numerically. Additionally, since the previous study has exhibited the realistic feasibility of Ce-based SAC lead-free solder alloy as a replacement to conventional SAC alloys, in this study, the proposed objective focuses on the in in-depth understanding of mechanism of enhanced ductility in Ce-based SAC alloy and possible issues associated with integration of this new class of solder into electronic industry, including: (a) study of long-term thermal and mechanical stability on industrial metallization, (b) examine the role of solder volume and wetting behavior of the new solder, relative to Sn-3.9Ag-0.7Cu alloys, (c) conduct experiments of new solder alloys in the form of mechanical shock and electromigration. The research of this new class alloys will be conducted in industrially relevant conditions, and the results would serve as the first step toward integration of these new, next generation solders into the industry.
ContributorsXie, Huxiao (Author) / Chawla, Nikhilesh (Thesis advisor) / Krause, Stephen (Committee member) / Solanki, Kiran (Committee member) / Mirpuri, Kabir (Committee member) / Arizona State University (Publisher)
Created2012
Description
The following is a report that will evaluate the microstructure of the nickel-based superalloy Hastelloy X and its relationship to mechanical properties in different load conditions. Hastelloy X is of interest to the company AORA because its strength and oxidation resistance at high temperatures is directly applicable to their needs in a hybrid concentrated solar module. The literature review shows that the microstructure will produce different carbides at various temperatures, which can be beneficial to the strength of the alloy. These precipitates are found along the grain boundaries and act as pins that limit dislocation flow, as well as grain boundary sliding, and improve the rupture strength of the material. Over time, harmful precipitates form which counteract the strengthening effect of the carbides and reduce rupture strength, leading to failure. A combination of indentation and microstructure mapping was used in an effort to link local mechanical behavior to microstructure variability. Electron backscatter diffraction (EBSD) and energy dispersive spectroscopy (EDS) were initially used as a means to characterize the microstructure prior to testing. Then, a series of room temperature Vickers hardness tests at 50 and 500 gram-force were used to evaluate the variation in the local response as a function of indentation size. The room temperature study concluded that both the hardness and standard deviation increased at lower loads, which is consistent with the grain size distribution seen in the microstructure scan. The material was then subjected to high temperature spherical indentation. Load-displacement curves were essential in evaluating the decrease in strength of the material with increasing temperature. Through linear regression of the unloading portion of the curve, the plastic deformation was determined and compared at different temperatures as a qualitative method to evaluate local strength.
ContributorsCelaya, Andrew Jose (Author) / Peralta, Pedro (Thesis director) / Solanki, Kiran (Committee member) / Barrett, The Honors College (Contributor) / Mechanical and Aerospace Engineering Program (Contributor)
Created2015-05
Description
This paper investigates Surface Mechanical Attrition Treatment (SMAT) and the influence of treatment temperature and initial sample surface finish on the corrosion resistance of 7075-T651 aluminum alloy. Ambient SMAT was performed on AA7075 samples polished to 80-grit initial surface roughness. Potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) tests were used to characterize the corrosion behavior of samples before and after SMAT. Electrochemical tests indicated an improved corrosion resistance after application of SMAT process. The observed improvements in corrosion properties are potentially due to microstructural changes in the material surface induced by SMAT which encouraged the formation of a passive oxide layer. Further testing and research are required to understand the corrosion related effects of cryogenic SMAT and initial-surface finish as the COVID-19 pandemic inhibited experimentation plans.
ContributorsDeorio, Jordan Anthony (Author) / Solanki, Kiran (Thesis director) / Rajagopalan, Jagannathan (Committee member) / Mechanical and Aerospace Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2020-05
Description
The goal of this research is to compare the mechanical properties of CP-Ti and Ti-O and to understand the relationship between a material's microstructure and its response to fatigue. Titanium has been selected due to its desirable properties and applicability in several engineering fields. Both samples are polished and etched in order to visualize and characterize the microstructure and its features. The samples then undergo strain-controlled fatigue tests for several thousand cycles. Throughout testing, images of the samples are taken at zero and maximum load for DIC analysis. The DIC results can be used to study the local strains of the samples. The DIC analysis performed on the CP-Ti sample and presented in this study will be used to understand how the addition of oxygen in the Ti-O impacts fatigue response. The outcome of this research can be used to develop long-lasting, high strength materials.
ContributorsRiley, Erin Ashland (Author) / Solanki, Kiran (Thesis director) / Oswald, Jay (Committee member) / School of Art (Contributor) / Mechanical and Aerospace Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2016-05
Description
This thesis presents a study of Boron Nitride (BN) and Copper (Cu)/BN multilayer thin films in terms of synthesis, chemical, structural, morphological, and mechanical properties characterization.
In this study, the influence of Ar/N₂ flow rate in synthesizing stoichiometric BN thin films via magnetron sputtering was investigated initially. Post magnetron sputtering, the crystalline nature and B:N stoichiometric ratio of deposited thin films were investigated by X-ray diffraction (XRD) and X-ray Photoelectron Spectroscopy (XPS) respectively. Thicknesses revealed by ellipsometry analysis for nearly stoichiometric B:N thin films and their corresponding deposition times were used for estimating BN interlayer deposition times during the deposition of Cu/BN multilayer thin films. To characterize the microstructure of the synthesized Cu/BN multilayer thin films, XRD and scanning electron microscopy (SEM) have been used. Finally, a comparison of nanoindentation measurements on pure Cu and Cu/BN multilayer thin films having different number of BN interlayers were used for studying the influence of BN interlayers on improving mechanical properties such as hardness and elastic modulus.
The results show that the stoichiometry of BN thin films is dependent on the Ar/N₂ flow rate during magnetron sputtering. An optimal Ar/N₂ flow rate of 13:5 during deposition was required to achieve an approximately 1:1 B:N stoichiometry. Grazing incidence and powder XRD analysis on these stoichiometric BN thin films deposited at room temperature did not reveal a phase match when compared to hexagonal boron nitride (h-BN) and cubic boron nitride (c-BN) reference XRD patterns. For a BN thin film deposition time of 5 hours, a thickness of approximately 40 nm was achieved, as revealed by ellipsometry. XRD and microstructure analysis using scanning electron microscopy (SEM) on pure Cu and Cu/BN thin films showed that the Cu grain size in Cu/BN thin films is much finer than pure Cu thin films. Interestingly, nanoindentation measurements on pure Cu and Cu/BN thin films having a similar overall thickness demonstrated that hardness and Young’s modulus of the films were improved significantly when BN interlayers are present.
ContributorsCaner, Sumeyye (Author) / Rajagopalan, Jagannathan (Thesis advisor) / Oswald, Jay (Committee member) / Solanki, Kiran (Committee member) / Arizona State University (Publisher)
Created2023
Description
Microstructure refinement and alloy additions are considered potential routes to increase high temperature performance of existing metallic superalloys used under extreme conditions. Nanocrystalline (NC) Cu-10at%Ta exhibits such improvements over microstructurally unstable NC metals, leading to enhanced creep behavior compared to its coarse-grained (CG) counterparts. However, the low melting point of Cu compared to other FCC metals, e.g., Ni, might lead to an early onset of diffusional creep mechanisms. Thus, this research seeks to study the thermo-mechanical behavior and stability of hierarchical (prepared using arc-melting) and NC (prepared by collaborators through powder pressing and annealing) Ni-Y-Zr alloys where Zr is expected to provide solid solution and grain boundary strengthening in hierarchical and NC alloys, respectively, while Ni-Y and Ni-Zr intermetallic precipitates (IMCs) would provide kinetic stability. Hierarchical alloys had microstructures stable up to 1100 °C with ultrafine eutectic of ~300 nm, dendritic arm spacing of ~10 μm, and grain size ~1-2 mm. Room temperature hardness tests along with uniaxial compression performed at 25 and 600 °C revealed that microhardness and yield strength of hierarchical alloys with small amounts of Y (0.5-1wt%) and Zr (1.5-3 wt%) were comparable to Ni-superalloys, due to the hierarchical microstructure and potential presence of nanoscale IMCs. In contrast, NC alloys of the same composition were found to be twice as hard as the hierarchical alloys. Creep tests at 0.5 homologous temperature showed active Coble creep mechanisms in hierarchical alloys at low stresses with creep rates slower than Fe-based superalloys and dislocation creep mechanisms at higher stresses. Creep in NC alloys at lower stresses was only 20 times faster than hierarchical alloys, with the difference in grain size ranging from 10^3 to 10^6 times at the same temperature. These NC alloys showed enhanced creep properties over other NC metals and are expected to have rates equal to or improved over the CG hierarchical alloys with ECAP processing techniques. Lastly, the in-situ wide-angle x-ray scattering (WAXS) measurements during quasi-static and creep tests implied stresses being carried mostly by the matrix before yielding and in the primary creep stage, respectively, while relaxation was observed in Ni5Zr for both hierarchical and NC alloys. Beyond yielding and in the secondary creep stage, lattice strains reached a steady state, thereby, an equilibrium between plastic strain rates was achieved across different phases, so that deformation reaches a saturation state where strain hardening effects are compensated by recovery mechanisms.
ContributorsSharma, Shruti (Author) / Peralta, Pedro (Thesis advisor) / Alford, Terry (Committee member) / Jiao, Yang (Committee member) / Solanki, Kiran (Committee member) / Arizona State University (Publisher)
Created2022
Description
The increasing demand for structural materials with superior mechanical properties has provided a strong impetus to the discovery of novel materials, and innovations in processing techniques to improve the properties of existing materials. Methods like severe plastic deformation (SPD) and surface mechanical attrition treatment (SMAT) have led to significant enhancement in the strength of traditional structural materials like Al and Fe based alloys via microstructural refinement. However, the nanocrystalline materials produced using these techniques exhibit poor ductility due to the lack of effective strain hardening mechanisms, and as a result the well-known strength-ductility trade-off persists. To overcome this trade-off, researchers have proposed the concept of heterostructured materials, which are composed of domains ranging in size from a few nanometers to several micrometers. Over the last two decades, there has been intense research on the development of new methods to synthesize heterostructured materials. However, none of these methods is capable of providing precise control over key microstructural parameters such as average grain size, grain morphology, and volume fraction and connectivity of coarse and fine grains. Due to the lack of microstructural control, the relationship between these parameters and the deformation behavior of heterostructured materials cannot be investigated systematically, and hence designing heterostructured materials with optimized properties is currently infeasible. This work aims to address this scientific and technological challenge and is composed of two distinct but interrelated parts. The first part concerns the development of a broadly applicable synthesis method to produce heterostructured metallic films with precisely defined architectures. This method exploits two forms of film growth (epitaxial and Volmer-Weber) to generate heterostructured metallic films. The second part investigates the effect of different microstructural parameters on the deformation behavior of heterostructured metallic films with the aim of elucidating their structure-property relationships. Towards this end, freestanding heterostructured Fe films with different architectures were fabricated and uniaxially deformed using MEMS stages. The results from these experiments are presented and their implications for the mechanical properties of heterostructured materials is discussed.
ContributorsBerlia, Rohit (Author) / Rajagopalan, Jagannathan (Thesis advisor) / Sieradzki, Karl (Committee member) / Peralta, Pedro (Committee member) / Crozier, Peter (Committee member) / Solanki, Kiran (Committee member) / Arizona State University (Publisher)
Created2021
Description
Al 7075 alloys are used in a variety of structural applications, such as aircraft wings, automotive components, fuselage, spacecraft, missiles, etc. The mechanical and corrosion behavior of these alloys are dependent on their microstructure and the environment. Therefore, a comprehensive study on microstructural characterization and stress-environment interaction is necessary. Traditionally, 2D techniques have been used to characterize microstructure, which are inaccurate and inadequate since the research has shown that the results obtained in the bulk are different from those obtained on the surface. There now exist several techniques in 3D, which can be used to characterize the microstructure. Al 7075 alloys contain second phase particles which can be classified as Fe-bearing inclusions, Si-bearing inclusions and precipitates. The variation in mechanical and corrosion properties of aluminum alloys has been attributed to the size, shape, distribution, corrosion properties and mechanical behavior of these precipitates and constituent particles. Therefore, in order to understand the performance of Al 7075 alloys, it is critical to investigate the size and distribution of inclusions and precipitates in the alloys along with their mechanical properties, such as Young's modulus, hardness and stress-strain behavior. X-ray tomography and FIB tomography were used to visualize and quantify the microstructure of constituent particles (inclusions) and precipitates, respectively. Microscale mechanical characterization techniques, such as nanoindentation and micropillar compression, were used to obtain mechanical properties of inclusions. Over the years, studies have used surface measurements to understand corrosion behavior of materials. More recently, in situ mechanical testing has become more attractive and advantageous, as it enables visualization and quantification of microstructural changes as a function of time (4D). In this study, in situ X-ray synchrotron tomography was used to study the SCC behavior of Al 7075 alloys in moisture and deionized water. Furthermore, experiments were performed in EXCO solution to study the effect of applied stress on exfoliation behavior in 3D. Contrary to 2D measurements made at the surface which suggest non-uniform crack growth rates, three dimensional measurements of the crack length led to a much more accurate measurement of crack growth rates.
ContributorsSingh, Sudhanshu Shekhar (Author) / Chawla, Nikhilesh (Thesis advisor) / Alford, Terry (Committee member) / Solanki, Kiran (Committee member) / Oswald, Jay (Committee member) / Arizona State University (Publisher)
Created2015
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 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