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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. 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. 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, which is the focus of this research. Shock loading experiments were conducted via flyer-plate impact tests for pressures of 2-6 GPa and strain rates of 105/s on copper polycrystals of varying thermomechanical processing conditions. Serial cross sectioning of recovered target disks was performed along with electron microscopy, electron backscattering diffraction (EBSD), focused ion beam (FIB) milling, and 3-D X-ray tomogrpahy (XRT) to gain 2-D and 3-D information on the spall plane and surrounding microstructure. Statistics on grain boundaries (GB) containing damage were obtained from 2-D data and GBs of misorientations 25° and 50° were found to have the highest probability to contain damage in as-received (AR), heat treated (HT), and fully recrystallized (FR) microstructures, while {111} Σ3 GBs were globally strong. The AR microstructure’s probability peak was the most pronounced indicating GB strength is the dominant factor for damage nucleation. 3-D XRT data was used to digitally render the spall planes of the AR, HT, and FR microstructures. From shape fitting the voids to ellipsoids, it was found that the AR microstructure contained greater than 55% intergranular damage, whereas the HT and FR microstructures contained predominantly transgranular and coalesced damage modes, respectively. 3-D reconstructions of large volume damage sites in shocked Cu multicrystals showed preference for damage nucleation at GBs between adjacent grains of a high Taylor factor mismatches as well as an angle between the shock direction and the GB physical normal of ~30°-45°. 3-D FIB sectioning of individual voids led to the discovery of uniform plastic zones ~25-50% the size of the void diameter and plastic deformation directions were characterized via local average misorientation maps. Incipient transgranular voids revealed from the sectioning process were present in grains of high Taylor factors along the shock direction, which is expected as materials with a low Taylor factor along the shock direction are susceptible to growth due their accomodation of plastic deformation. Fabrication of square waves using photolithography and chemical etching was developed to study the nature of plasticity at GBs away from the spall plane. Grains oriented close to <0 1 1> had half the residual amplitudes than grains oriented close to <0 0 1>.
ContributorsBrown, Andrew (Author) / Peralta, Pedro (Committee member) / Mignolet, Marc (Committee member) / Sieradzki, Karl (Committee member) / Solanki, Kiran (Committee member) / Jiang, Hanqing (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
Description
Characterization and modeling of deformation and failure in metallic materials under extreme conditions, such as the high loads and strain rates found under shock loading due to explosive detonation and high velocity-impacts, are extremely important for a wide variety of military and industrial applications. When a shock wave causes stress in a material that exceeds the elastic limit, plasticity and eventually spallation occur in the material. The process of spall fracture, which in ductile materials stems from strain localization, void nucleation, growth and coalescence, can be caused by microstructural heterogeneity. The analysis of void nucleation performed from a microstructurally explicit simulation of a spall damage evolution in a multicrystalline copper indicated triple junctions as the preferred sites for incipient damage nucleation revealing 75% of them with at least two grain boundaries with misorientation angle between 20-55°. The analysis suggested the nature of the boundaries connecting at a triple junction is an indicator of their tendency to localize spall damage. The results also showed that damage propagated preferentially into one of the high angle boundaries after voids nucleate at triple junctions. Recently the Rayleigh-Taylor Instability (RTI) and the Richtmyer-Meshkov Instability (RMI) have been used to deduce dynamic material strength at very high pressures and strain rates. The RMI is used in this work since it allows using precise diagnostics such as Transient Imaging Displacement Interferometry (TIDI) due to its slower linear growth rate. The Preston-Tonks-Wallace (PTW) model is used to study the effects of dynamic strength on the behavior of samples with a fed-thru RMI, induced via direct laser drive on a perturbed surface, on stability of the shock front and the dynamic evolution of the amplitudes and velocities of the perturbation imprinted on the back (flat) surface by the perturbed shock front. Simulation results clearly showed that the amplitude of the hydrodynamic instability increases with a decrease in strength and vice versa and that the amplitude of the perturbed shock front produced by the fed-thru RMI is also affected by strength in the same way, which provides an alternative to amplitude measurements to study strength effects under dynamic conditions. Simulation results also indicate the presence of second harmonics in the surface perturbation after a certain time, which were also affected by the material strength.
ContributorsGautam, Sudrishti (Author) / Peralta, Pedro (Thesis advisor) / Oswald, Jay (Committee member) / Solanki, Kiran (Committee member) / Arizona State University (Publisher)
Created2016
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. 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.
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
Description
Nanocrystalline (NC) and Ultrafine-grained (UFG) metal films exhibit a wide range of enhanced mechanical properties compared to their coarse-grained counterparts. These properties, such as very high strength, primarily arise from the change in the underlying deformation mechanisms. Experimental and simulation studies have shown that because of the small grain size, conventional dislocation plasticity is curtailed in these materials and grain boundary mediated mechanisms become more important. Although the deformation behavior and the underlying mechanisms in these materials have been investigated in depth, relatively little attention has been focused on the inhomogeneous nature of their microstructure (particularly originating from the texture of the film) and its influence on their macroscopic response. Furthermore, the rate dependency of mechanical response in NC/UFG metal films with different textures has not been systematically investigated. The objectives of this dissertation are two-fold.
The first objective is to carry out a systematic investigation of the mechanical behavior of NC/UFG thin films with different textures under different loading rates. This includes a novel approach to study the effect of texture-induced plastic anisotropy on mechanical behavior of the films. Efforts are made to correlate the behavior of UFG metal films and the underlying deformation mechanisms. The second objective is to understand the deformation mechanisms of UFG aluminum films using in-situ transmission electron microscopy (TEM) experiments with Automated Crystal Orientation Mapping. This technique enables us to investigate grain rotations in UFG Al films and to monitor the microstructural changes in these films during deformation, thereby revealing detailed information about the deformation mechanisms prevalent in UFG metal films.
The first objective is to carry out a systematic investigation of the mechanical behavior of NC/UFG thin films with different textures under different loading rates. This includes a novel approach to study the effect of texture-induced plastic anisotropy on mechanical behavior of the films. Efforts are made to correlate the behavior of UFG metal films and the underlying deformation mechanisms. The second objective is to understand the deformation mechanisms of UFG aluminum films using in-situ transmission electron microscopy (TEM) experiments with Automated Crystal Orientation Mapping. This technique enables us to investigate grain rotations in UFG Al films and to monitor the microstructural changes in these films during deformation, thereby revealing detailed information about the deformation mechanisms prevalent in UFG metal films.
ContributorsIzadi, Ehsan (Author) / Rajagopalan, Jagannathan (Thesis advisor) / Peralta, Pedro (Committee member) / Chawla, Nikhilesh (Committee member) / Solanki, Kiran (Committee member) / Oswald, Jay (Committee member) / Arizona State University (Publisher)
Created2017
Description
Hydrodynamic phenomena such as the Rayleigh-Taylor (RT) and Richtmyer-Meshkov (RM) instabilities can be described by exponential/linear growth of surface perturbations at a bimaterial interface when subjected to constant/impulsive acceleration. A challenge in designing systems to mitigate or exploit these effects is the lack of accurate material models at large dynamic strain rates and pressures. In particular, little stress-strain constitutive information at large strain rates and pressures is available for transient material phases formed at high pressures, and the continuum effect the phase transformation process has on the instability evolution. In this work, a phase-aware isotropic strength model is developed and partially validated with a novel RM-based instability experiment in addition to existing data from the literature. With the validated material model additional simulations are performed to provide insight into to the role that robust material constitutive behavior (e.g., pressure, temperature, rate dependence) has on RM instability and how RM instability experiments can be used to characterize and validated expected material behavior. For phase aware materials, particularly iron in this work, the simulations predict a strong dependence on the Atwood number that single phase materials do not have. At Atwood numbers close to unity, and pressures in the high pressure stability region, the high pressure phase dominates the RM evolution. However, at Atwood numbers close to negative one, the RM evolution is only weakly affected by the high-pressure phase even for shocks well above the phase transformation threshold. In addition to RM evolution this work looks at the closely related shock front perturbation evolution. Existing analytical models for isentropic processes in gases and liquids are modified for metal equation of states and plastic behavior for the first time. It is found that the presence of a volume collapsing phase transformation with increased pressure causes shock front perturbations to decay sooner, while plastic strength has the opposite effect which is significantly different from the effect viscosity has. These results suggest additional experimental setups to validate material models, or relevant material parameters that can be optimized for system design objectives, e.g., minimize feed through perturbations in inertial confinement fusion capsules.
ContributorsOpie, Saul (Author) / Peralta, Pedro (Thesis advisor) / Loomis, Eric (Committee member) / Oswald, Jay (Committee member) / Rajan, Subramaniam D. (Committee member) / Solanki, Kiran (Committee member) / Arizona State University (Publisher)
Created2017
Description
Current trends in the Computer Aided Engineering (CAE) involve the integration of legacy mesh-based finite element software with newer solid-modeling kernels or full CAD systems in order to simplify laborious or highly specialized tasks in engineering analysis. In particular, mesh generation is becoming increasingly automated. In addition, emphasis is increasingly placed on full assembly (multi-part) models, which in turn necessitates an automated approach to contact analysis. This task is challenging due to increases in algebraic system size, as well as increases in the number of distorted elements - both of which necessitate manual intervention to maintain accuracy and conserve computer resources. In this investigation, it is demonstrated that the use of a mesh-free B-Spline finite element basis for structural contact problems results in significantly smaller algebraic systems than mesh-based approaches for similar grid spacings. The relative error in calculated contact pressure is evaluated for simple two dimensional smooth domains at discrete points within the contact zone and compared to the analytical Hertz solution, as well as traditional mesh-based finite element solutions for similar grid spacings. For smooth curved domains, the relative error in contact pressure is shown to be less than for bi-quadratic Serendipity elements. The finite element formulation draws on some recent innovations, in which the domain to be analyzed is integrated with the use of transformed Gauss points within the domain, and boundary conditions are applied via distance functions (R-functions). However, the basis is stabilized through a novel selective normalization procedure. In addition, a novel contact algorithm is presented in which the B-Spline support grid is re-used for contact detection. The algorithm is demonstrated for two simple 2-dimensional assemblies. Finally, a modified Penalty Method is demonstrated for connecting elements with incompatible bases.
ContributorsGrishin, Alexander (Author) / Shah, Jami J. (Thesis advisor) / Davidson, Joe (Committee member) / Hjelmstad, Keith (Committee member) / Huebner, Ken (Committee member) / Farin, Gerald (Committee member) / Peralta, Pedro (Committee member) / Arizona State University (Publisher)
Created2010
Finite element analysis of silicon thin films on soft substrates as anodes for lithium ion batteries
Description
The wide-scale use of green technologies such as electric vehicles has been slowed due to insufficient means of storing enough portable energy. Therefore it is critical that efficient storage mediums be developed in order to transform abundant renewable energy into an on-demand source of power. Lithium (Li) ion batteries are seeing a stream of improvements as they are introduced into many consumer electronics, electric vehicles and aircraft, and medical devices. Li-ion batteries are well suited for portable applications because of their high energy-to-weight ratios, high energy densities, and reasonable life cycles. Current research into Li-ion batteries is focused on enhancing its energy density, and by changing the electrode materials, greater energy capacities can be realized. Silicon (Si) is a very attractive option because it has the highest known theoretical charge capacity. Current Si anodes, however, suffer from early capacity fading caused by pulverization from the stresses induced by large volumetric changes that occur during charging and discharging. An innovative system aimed at resolving this issue is being developed. This system incorporates a thin Si film bonded to an elastomeric substrate which is intended to provide the desired stress relief. Non-linear finite element simulations have shown that a significant amount of deformation can be accommodated until a critical threshold of Li concentration is reached; beyond which buckling is induced and a wavy structure appears. When compared to a similar system using rigid substrates where no buckling occurs, the stress is reduced by an order of magnitude, significantly prolonging the life of the Si anode. Thus the stress can be released at high Li-ion diffusion induced strains by buckling the Si thin film. Several aspects of this anode system have been analyzed including studying the effects of charge rate and thin film plasticity, and the results are compared with preliminary empirical measurements to show great promise. This study serves as the basis for a radical resolution to one of the few remaining barriers left in the development of high performing Si based electrodes for Li-ion batteries.
ContributorsShaffer, Joseph (Author) / Jiang, Hanqing (Thesis advisor) / Rajan, Subramaniam D. (Committee member) / Peralta, Pedro (Committee member) / Arizona State University (Publisher)
Created2011
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
Over the past few decades there has been significant interest in the design and construction of hypersonic vehicles. Such vehicles exhibit strongly coupled aerodynamics, acoustics, heat transfer, and structural deformations, which can take significant computational efforts to simulate using standard finite element and computational fluid dynamics techniques. This situation has lead to development of various reduced order modelling (ROM) methods which reduce the parameter space of these simulations so they can be run more quickly. The planned hypersonic vehicles will be constructed by assembling a series of sub-structures, such as panels and stiffeners, that will be welded together creating built-up structures.In this light, the focus of the present investigation is on the formulation and validation of nonlinear reduced order models (NLROMs) of built-up structures that include nonlinear geometric effects induced by the large loads/large response. Moreover, it is recognized that gaps between sub-structures could result from the these intense loadings can thus the inclusion of the nonlinearity introduced by contact separation will also be addressed. These efforts, application to built-up structures and inclusion of contact nonlinearity, represent novel developments of existing NLROM strategies. A hat stiffened panel is selected as a representative example of built-up structure and a compact NRLOM is successfully constructed for this structure which exhibited a potential internal resonance. For the investigation of contact nonlinearity, two structural models were used: a cantilevered beam which can contact several stops and an overlapping plate model which can exhibit the opening/closing of a gap. Successful NLROMs were constructed for these structures with the basis for the plate model determined as a two-step process, i.e., considering the plate without gap first and then enriching the corresponding basis to account for opening of the gap. Adaptions were then successfully made to a Newton-Raphson solver to properly account for contact and the associated forces in static predictions by NLROMs.
ContributorsWainwright, Bret Aaron (Author) / Mignolet, Marc P (Thesis advisor) / Oswald, Jay (Committee member) / Peralta, Pedro (Committee member) / Spottswood, Stephen (Committee member) / Rajan, Subramaniam (Committee member) / Arizona State University (Publisher)
Created2021