Theses and Dissertations
This collection includes both ASU Theses and Dissertations, submitted by graduate students, and the Barrett, Honors College theses submitted by undergraduate students.
Displaying 31 - 40 of 95
Description
Advanced material systems refer to materials that are comprised of multiple traditional constituents but complex microstructure morphologies, which lead to their superior properties over conventional materials. This dissertation is motivated by the grand challenge in accelerating the design of advanced material systems through systematic optimization with respect to material microstructures or processing settings. While optimization techniques have mature applications to a large range of engineering systems, their application to material design meets unique challenges due to the high dimensionality of microstructures and the high costs in computing process-structure-property (PSP) mappings. The key to addressing these challenges is the learning of material representations and predictive PSP mappings while managing a small data acquisition budget. This dissertation thus focuses on developing learning mechanisms that leverage context-specific meta-data and physics-based theories. Two research tasks will be conducted: In the first, we develop a statistical generative model that learns to characterize high-dimensional microstructure samples using low-dimensional features. We improve the data efficiency of a variational autoencoder by introducing a morphology loss to the training. We demonstrate that the resultant microstructure generator is morphology-aware when trained on a small set of material samples, and can effectively constrain the microstructure space during material design. In the second task, we investigate an active learning mechanism where new samples are acquired based on their violation to a theory-driven constraint on the physics-based model. We demonstrate using a topology optimization case that while data acquisition through the physics-based model is often expensive (e.g., obtaining microstructures through simulation or optimization processes), the evaluation of the constraint can be far more affordable (e.g., checking whether a solution is optimal or equilibrium). We show that this theory-driven learning algorithm can lead to much improved learning efficiency and generalization performance when such constraints can be derived. The outcomes of this research is a better understanding of how physics knowledge about material systems can be integrated into machine learning frameworks, in order to achieve more cost-effective and reliable learning of material representations and predictive models, which are essential to accelerate computational material design.
ContributorsCang, Ruijin (Author) / Ren, Yi (Thesis advisor) / Liu, Yongming (Committee member) / Jiao, Yang (Committee member) / Nian, Qiong (Committee member) / Zhuang, Houlong (Committee member) / Arizona State University (Publisher)
Created2018
Description
This investigation focuses on the development of uncertainty modeling methods applicable to both the structural and thermal models of heated structures as part of an effort to enable the design under uncertainty of hypersonic vehicles. The maximum entropy-based nonparametric stochastic modeling approach is used within the context of coupled structural-thermal Reduced Order Models (ROMs). Not only does this strategy allow for a computationally efficient generation of samples of the structural and thermal responses but the maximum entropy approach allows to introduce both aleatoric and some epistemic uncertainty into the system.
While the nonparametric approach has a long history of applications to structural models, the present investigation was the first one to consider it for the heat conduction problem. In this process, it was recognized that the nonparametric approach had to be modified to maintain the localization of the temperature near the heat source, which was successfully achieved.
The introduction of uncertainty in coupled structural-thermal ROMs of heated structures was addressed next. It was first recognized that the structural stiffness coefficients (linear, quadratic, and cubic) and the parameters quantifying the effects of the temperature distribution on the structural response can be regrouped into a matrix that is symmetric and positive definite. The nonparametric approach was then applied to this matrix allowing the assessment of the effects of uncertainty on the resulting temperature distributions and structural response.
The third part of this document focuses on introducing uncertainty using the Maximum Entropy Method at the level of finite element by randomizing elemental matrices, for instance, elemental stiffness, mass and conductance matrices. This approach brings some epistemic uncertainty not present in the parametric approach (e.g., by randomizing the elasticity tensor) while retaining more local character than the operation in ROM level.
The last part of this document focuses on the development of “reduced ROMs” (RROMs) which are reduced order models with small bases constructed in a data-driven process from a “full” ROM with a much larger basis. The development of the RROM methodology is motivated by the desire to optimally reduce the computational cost especially in multi-physics situations where a lack of prior understanding/knowledge of the solution typically leads to the selection of ROM bases that are excessively broad to ensure the necessary accuracy in representing the response. It is additionally emphasized that the ROM reduction process can be carried out adaptively, i.e., differently over different ranges of loading conditions.
While the nonparametric approach has a long history of applications to structural models, the present investigation was the first one to consider it for the heat conduction problem. In this process, it was recognized that the nonparametric approach had to be modified to maintain the localization of the temperature near the heat source, which was successfully achieved.
The introduction of uncertainty in coupled structural-thermal ROMs of heated structures was addressed next. It was first recognized that the structural stiffness coefficients (linear, quadratic, and cubic) and the parameters quantifying the effects of the temperature distribution on the structural response can be regrouped into a matrix that is symmetric and positive definite. The nonparametric approach was then applied to this matrix allowing the assessment of the effects of uncertainty on the resulting temperature distributions and structural response.
The third part of this document focuses on introducing uncertainty using the Maximum Entropy Method at the level of finite element by randomizing elemental matrices, for instance, elemental stiffness, mass and conductance matrices. This approach brings some epistemic uncertainty not present in the parametric approach (e.g., by randomizing the elasticity tensor) while retaining more local character than the operation in ROM level.
The last part of this document focuses on the development of “reduced ROMs” (RROMs) which are reduced order models with small bases constructed in a data-driven process from a “full” ROM with a much larger basis. The development of the RROM methodology is motivated by the desire to optimally reduce the computational cost especially in multi-physics situations where a lack of prior understanding/knowledge of the solution typically leads to the selection of ROM bases that are excessively broad to ensure the necessary accuracy in representing the response. It is additionally emphasized that the ROM reduction process can be carried out adaptively, i.e., differently over different ranges of loading conditions.
ContributorsSong, Pengchao (Author) / Mignolet, Marc P (Thesis advisor) / Smarslok, Benjamin (Committee member) / Chattopadhyay, Aditi (Committee member) / Liu, Yongming (Committee member) / Jiang, Hanqing (Committee member) / Berman, Spring (Committee member) / Arizona State University (Publisher)
Created2019
Description
An orthotropic elasto-plastic damage material model (OEPDMM) suitable for impact simulations has been developed through a joint research project funded by the Federal Aviation Administration (FAA) and the National Aeronautics and Space Administration (NASA). Development of the model includes derivation of the theoretical details, implementation of the theory into LS-DYNA®, a commercially available nonlinear transient dynamic finite element code, as material model MAT 213, and verification and validation of the model. The material model is comprised of three major components: deformation, damage, and failure. The deformation sub-model is used to capture both linear and nonlinear deformations through a classical plasticity formulation. The damage sub-model is used to account for the reduction of elastic stiffness of the material as the degree of plastic strain is increased. Finally, the failure sub-model is used to predict the onset of loss of load carrying capacity in the material. OEPDMM is driven completely by tabulated experimental data obtained through physically meaningful material characterization tests, through high fidelity virtual tests, or both. The tabulated data includes stress-strain curves at different temperatures and strain rates to drive the deformation sub-model, damage parameter-total strain curves to drive the damage sub-model, and the failure sub-model can be driven by the data required for different failure theories implemented in the computer code. The work presented herein focuses on the experiments used to obtain the data necessary to drive as well as validate the material model, development and implementation of the damage model, verification of the deformation and damage models through single element (SE) and multi-element (ME) finite element simulations, development and implementation of experimental procedure for modeling delamination, and finally validation of the material model through low speed impact simulations and high speed impact simulations.
ContributorsKhaled, Bilal Marwan (Author) / Rajan, Subramaniam D. (Thesis advisor) / Mobasher, Barzin (Committee member) / Neithalath, Narayanan (Committee member) / Liu, Yongming (Committee member) / Goldberg, Robert K. (Committee member) / Arizona State University (Publisher)
Created2019
Description
The motivation of this work is based on development of new construction products with strain hardening cementitious composites (SHCC) geared towards sustainable residential applications. The proposed research has three main objectives: automation of existing manufacturing systems for SHCC laminates; multi-level characterization of mechanical properties of fiber, matrix, interface and composites phases using servo-hydraulic and digital image correlation techniques. Structural behavior of these systems were predicted using ductility based design procedures using classical laminate theory and structural mechanics. SHCC sections are made up of thin sections of matrix with Portland cement based binder and fine aggregates impregnating continuous one-dimensional fibers in individual or bundle form or two/three dimensional woven, bonded or knitted textiles. Traditional fiber reinforced concrete (FRC) use random dispersed chopped fibers in the matrix at a low volume fractions, typically 1-2% to avoid to avoid fiber agglomeration and balling. In conventional FRC, fracture localization occurs immediately after the first crack, resulting in only minor improvement in toughness and tensile strength. However in SHCC systems, distribution of cracking throughout the specimen is facilitated by the fiber bridging mechanism. Influence of material properties of yarn, composition, geometry and weave patterns of textile in the behavior of laminated SHCC skin composites were investigated. Contribution of the cementitious matrix in the early age and long-term performance of laminated composites was studied with supplementary cementitious materials such as fly ash, silica fume, and wollastonite. A closed form model with classical laminate theory and ply discount method, coupled with a damage evolution model was utilized to simulate the non-linear tensile response of these composite materials. A constitutive material model developed earlier in the group was utilized to characterize and correlate the behavior of these structural composites under uniaxial tension and flexural loading responses. Development and use of analytical models enables optimal design for application of these materials in structural applications. Another area of immediate focus is the development of new construction products from SHCC laminates such as angles, channels, hat sections, closed sections with optimized cross sections. Sandwich composites with stress skin-cellular core concept were also developed to utilize strength and ductility of fabric reinforced skin in addition to thickness, ductility, and thermal benefits of cellular core materials. The proposed structurally efficient and durable sections promise to compete with wood and light gage steel based sections for lightweight construction and panel application
ContributorsDey, Vikram (Author) / Mobasher, Barzin (Thesis advisor) / Rajan, Subramaniam D. (Committee member) / Neithalath, Narayanan (Committee member) / Underwood, Benjamin (Committee member) / Liu, Yongming (Committee member) / Arizona State University (Publisher)
Created2016
Description
A new critical plane-energy model is proposed in this thesis for multiaxial fatigue life prediction of homogeneous and heterogeneous materials. Brief review of existing methods, especially on the critical plane-based and energy-based methods, are given first. Special focus is on one critical plane approach which has been shown to work for both brittle and ductile metals. The key idea is to automatically change the critical plane orientation with respect to different materials and stress states. One potential drawback of the developed model is that it needs an empirical calibration parameter for non-proportional multiaxial loadings since only the strain terms are used and the out-of-phase hardening cannot be considered. The energy-based model using the critical plane concept is proposed with help of the Mroz-Garud hardening rule to explicitly include the effect of non-proportional hardening under fatigue cyclic loadings. Thus, the empirical calibration for non-proportional loading is not needed since the out-of-phase hardening is naturally included in the stress calculation. The model predictions are compared with experimental data from open literature and it is shown the proposed model can work for both proportional and non-proportional loadings without the empirical calibration. Next, the model is extended for the fatigue analysis of heterogeneous materials integrating with finite element method. Fatigue crack initiation of representative volume of heterogeneous materials is analyzed using the developed critical plane-energy model and special focus is on the microstructure effect on the multiaxial fatigue life predictions. Several conclusions and future work is drawn based on the proposed study.
ContributorsWei, Haoyang (Author) / Liu, Yongming (Thesis advisor) / Jiang, Hanqing (Committee member) / Oswald, Jay (Committee member) / Arizona State University (Publisher)
Created2016
Description
In this thesis, a FORTRAN code is rewritten in C++ with an object oriented ap-
proach. There are several reasons for this purpose. The first reason is to establish
the basis of a GPU programming. To write programs that utilize GPU hardware,
CUDA or OpenCL is used which only support C and C++. FORTRAN has a feature
that lets its programs to call C/C++ functions. FORTRAN sends relevant data to
C/C++, which in turn sends that data to OpenCL. Although this approach works,
it makes the code messy and bulky and in the end more difficult to deal with. More-
over, there is a slight performance decrease from the additional data copy. This is
the motivation to have the code entirely written in C++ to make it more uniform,
efficient and clean. The second reason is the object oriented feature of the C++. The
“abstraction”, “inheritance” and “run-time polymorphism” features of C++ provide
some form of classes and objects, the ability to build new abstractions, and some
form of run-time binding, respectively. In recent years, some of popular codes has
been rewritten in C++ which were initially in FORTRAN. One of these softwares is
LAMMPS.
In this code the level set equation is solved by RLSG method to track the interface in
two phase flow. In gas/fluid flows, the surface tension is important and only exists at
the interface. Therefore, the location and some geometric features of interface need
to be evaluated which can be achieved by solving the level set equation.
proach. There are several reasons for this purpose. The first reason is to establish
the basis of a GPU programming. To write programs that utilize GPU hardware,
CUDA or OpenCL is used which only support C and C++. FORTRAN has a feature
that lets its programs to call C/C++ functions. FORTRAN sends relevant data to
C/C++, which in turn sends that data to OpenCL. Although this approach works,
it makes the code messy and bulky and in the end more difficult to deal with. More-
over, there is a slight performance decrease from the additional data copy. This is
the motivation to have the code entirely written in C++ to make it more uniform,
efficient and clean. The second reason is the object oriented feature of the C++. The
“abstraction”, “inheritance” and “run-time polymorphism” features of C++ provide
some form of classes and objects, the ability to build new abstractions, and some
form of run-time binding, respectively. In recent years, some of popular codes has
been rewritten in C++ which were initially in FORTRAN. One of these softwares is
LAMMPS.
In this code the level set equation is solved by RLSG method to track the interface in
two phase flow. In gas/fluid flows, the surface tension is important and only exists at
the interface. Therefore, the location and some geometric features of interface need
to be evaluated which can be achieved by solving the level set equation.
ContributorsSafarkhani, Salar (Author) / Herrmann, Mrcus (Thesis advisor) / Oswald, Jay (Committee member) / Rykczewski, Konrad (Committee member) / Arizona State University (Publisher)
Created2015
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
Stress corrosion cracking (SCC) is a materials degradation phenomena resulting from a combination of stress and a corrosive environment. Among the alphabet soup of proposed mechanism of SCC the most important are film-rupture, film-induced cleavage and hydrogen embrittlement.
This work examines various aspects of film-induced cleavage in gold alloys for which the operation of hydrogen embrittlement processes can be strictly ruled out on thermodynamic grounds. This is so because in such alloys SCC occurs under electrochemical conditions within which water is stable to hydrogen gas evolution. The alloy system examined in this work is AgAu since the corrosion processes in this system occur by a dealloying mechanism that results in the formation of nanoporous gold. The physics behind the dealloying process as well as the resulting formation of nanoporous gold is today well understood.
Two important aspects of the film-induced cleavage mechanism are examined in this work: dynamic fracture in monolithic nanoporous gold and crack injection. In crack injection there is a finite thickness dealloyed layer formed on a AgAu alloy sample and the question of whether or not a crack that nucleates within this layer can travel for some finite distance into the un-corroded parent phase alloy is addressed. Dynamic fracture tests were performed on single edge-notched monolithic nanoporous gold samples as well as “infinite strip” sample configurations for which the stress intensity remains constant over a significant portion of the crack length. High-speed photography was used to measure the crack velocity. In the dynamic fracture experiments cracks were observed to travel at speeds as large as 270 m/s corresponding to about 68% of the Raleigh wave velocity. Crack injection experiments were performed on single crystal Ag77Au23, polycrystalline Ag72Au28 and pure gold, all of which had thin nanoporous gold layers on the surface of samples. Through-thickness fracture was seen in both the single crystal and polycrystalline samples and there was an indication of ~ 1 μm injected cracks into pure gold. These results have important implications for the operation of the film-induced cleavage mechanism and represent a first step in the development of a fundamental model of SCC.
This work examines various aspects of film-induced cleavage in gold alloys for which the operation of hydrogen embrittlement processes can be strictly ruled out on thermodynamic grounds. This is so because in such alloys SCC occurs under electrochemical conditions within which water is stable to hydrogen gas evolution. The alloy system examined in this work is AgAu since the corrosion processes in this system occur by a dealloying mechanism that results in the formation of nanoporous gold. The physics behind the dealloying process as well as the resulting formation of nanoporous gold is today well understood.
Two important aspects of the film-induced cleavage mechanism are examined in this work: dynamic fracture in monolithic nanoporous gold and crack injection. In crack injection there is a finite thickness dealloyed layer formed on a AgAu alloy sample and the question of whether or not a crack that nucleates within this layer can travel for some finite distance into the un-corroded parent phase alloy is addressed. Dynamic fracture tests were performed on single edge-notched monolithic nanoporous gold samples as well as “infinite strip” sample configurations for which the stress intensity remains constant over a significant portion of the crack length. High-speed photography was used to measure the crack velocity. In the dynamic fracture experiments cracks were observed to travel at speeds as large as 270 m/s corresponding to about 68% of the Raleigh wave velocity. Crack injection experiments were performed on single crystal Ag77Au23, polycrystalline Ag72Au28 and pure gold, all of which had thin nanoporous gold layers on the surface of samples. Through-thickness fracture was seen in both the single crystal and polycrystalline samples and there was an indication of ~ 1 μm injected cracks into pure gold. These results have important implications for the operation of the film-induced cleavage mechanism and represent a first step in the development of a fundamental model of SCC.
ContributorsChen, Xiying (Author) / Sieradzki, Karl (Thesis advisor) / Jiao, Yang (Committee member) / Oswald, Jay (Committee member) / Crozier, Peter (Committee member) / Peralta, Pedro (Committee member) / Arizona State University (Publisher)
Created2016
Description
There is a concerted effort in developing robust systems health monitoring/management (SHM) technology as a means to reduce the life cycle costs, improve availability, extend life and minimize downtime of various platforms including aerospace and civil infrastructure. The implementation of a robust SHM system requires a collaborative effort in a variety of areas such as sensor development, damage detection and localization, physics based models, and prognosis models for residual useful life (RUL) estimation. Damage localization and prediction is further complicated by geometric, material, loading, and environmental variabilities. Therefore, it is essential to develop robust SHM methodologies by taking into account such uncertainties. In this research, damage localization and RUL estimation of two different physical systems are addressed: (i) fatigue crack propagation in metallic materials under complex multiaxial loading and (ii) temporal scour prediction near bridge piers. With little modifications, the methodologies developed can be applied to other systems.
Current practice in fatigue life prediction is based on either physics based modeling or data-driven methods, and is limited to predicting RUL for simple geometries under uniaxial loading conditions. In this research, crack initiation and propagation behavior under uniaxial and complex biaxial fatigue loading is addressed. The crack propagation behavior is studied by performing extensive material characterization and fatigue testing under in-plane biaxial loading, both in-phase and out-of-phase, with different biaxiality ratios. A hybrid prognosis model, which combines machine learning with physics based modeling, is developed to account for the uncertainties in crack propagation and fatigue life prediction due to variabilities in material microstructural characteristics, crack localization information and environmental changes. The methodology iteratively combines localization information with hybrid prognosis models using sequential Bayesian techniques. The results show significant improvements in the localization and prediction accuracy under varying temperature.
For civil infrastructure, especially bridges, pier scour is a major failure mechanism. Currently available techniques are developed from a design perspective and provide highly conservative scour estimates. In this research, a fully probabilistic scour prediction methodology is developed using machine learning to accurately predict scour in real-time under varying flow conditions.
Current practice in fatigue life prediction is based on either physics based modeling or data-driven methods, and is limited to predicting RUL for simple geometries under uniaxial loading conditions. In this research, crack initiation and propagation behavior under uniaxial and complex biaxial fatigue loading is addressed. The crack propagation behavior is studied by performing extensive material characterization and fatigue testing under in-plane biaxial loading, both in-phase and out-of-phase, with different biaxiality ratios. A hybrid prognosis model, which combines machine learning with physics based modeling, is developed to account for the uncertainties in crack propagation and fatigue life prediction due to variabilities in material microstructural characteristics, crack localization information and environmental changes. The methodology iteratively combines localization information with hybrid prognosis models using sequential Bayesian techniques. The results show significant improvements in the localization and prediction accuracy under varying temperature.
For civil infrastructure, especially bridges, pier scour is a major failure mechanism. Currently available techniques are developed from a design perspective and provide highly conservative scour estimates. In this research, a fully probabilistic scour prediction methodology is developed using machine learning to accurately predict scour in real-time under varying flow conditions.
ContributorsNeerukatti, Rajesh Kumar (Author) / Chattopadhyay, Aditi (Thesis advisor) / Jiang, Hanqing (Committee member) / Liu, Yongming (Committee member) / Rajadas, John (Committee member) / Yekani Fard, Masoud (Committee member) / Arizona State University (Publisher)
Created2016
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 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.
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