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Description
Commercially pure (CP) and extra low interstitial (ELI) grade Ti-alloys present excellent corrosion resistance, lightweight, and formability making them attractive materials for expanded use in transportation and medical applications. However, the strength and toughness of CP titanium are affected by relatively small variations in their impurity/solute content (IC), e.g., O,

Commercially pure (CP) and extra low interstitial (ELI) grade Ti-alloys present excellent corrosion resistance, lightweight, and formability making them attractive materials for expanded use in transportation and medical applications. However, the strength and toughness of CP titanium are affected by relatively small variations in their impurity/solute content (IC), e.g., O, Al, and V. This increase in strength is due to the fact that the solute either increases the critical stress required for the prismatic slip systems ({10-10}<1-210>) or activates another slip system ((0001)<11-20>, {10-11}<11-20>). In particular, solute additions such as O can effectively strengthen the alloy but with an attendant loss in ductility by changing the behavior from wavy (cross slip) to planar nature. In order to understand the underlying behavior of strengthening by solutes, it is important to understand the atomic scale mechanism. This dissertation aims to address this knowledge gap through a synergistic combination of density functional theory (DFT) and molecular dynamics. Further, due to the long-range strain fields of the dislocations and the periodicity of the DFT simulation cells, it is difficult to apply ab initio simulations to study the dislocation core structure. To alleviate this issue we developed a multiscale quantum mechanics/molecular mechanics approach (QM/MM) to study the dislocation core. We use the developed QM/MM method to study the pipe diffusion along a prismatic edge dislocation core. Complementary to the atomistic simulations, the Semi-discrete Variational Peierls-Nabarro model (SVPN) was also used to analyze the dislocation core structure and mobility. The chemical interaction between the solute/impurity and the dislocation core is captured by the so-called generalized stacking fault energy (GSFE) surface which was determined from DFT-VASP calculations. By taking the chemical interaction into consideration the SVPN model can predict the dislocation core structure and mobility in the presence and absence of the solute/impurity and thus reveal the effect of impurity/solute on the softening/hardening behavior in alpha-Ti. Finally, to study the interaction of the dislocation core with other planar defects such as grain boundaries (GB), we develop an automated method to theoretically generate GBs in HCP type materials.
ContributorsBhatia, Mehul Anoopkumar (Author) / Solanki, Kiran N (Thesis advisor) / Peralta, Pedro (Committee member) / Jiang, Hanqing (Committee member) / Neithalath, Narayanan (Committee member) / Rajagopalan, Jagannathan (Committee member) / Arizona State University (Publisher)
Created2014
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Description
Ultra-concealable multi-threat body armor used by law-enforcement is a multi-purpose armor that protects against attacks from knife, spikes, and small caliber rounds. The design of this type of armor involves fiber-resin composite materials that are flexible, light, are not unduly affected by environmental conditions, and perform as required. The National

Ultra-concealable multi-threat body armor used by law-enforcement is a multi-purpose armor that protects against attacks from knife, spikes, and small caliber rounds. The design of this type of armor involves fiber-resin composite materials that are flexible, light, are not unduly affected by environmental conditions, and perform as required. The National Institute of Justice (NIJ) characterizes this type of armor as low-level protection armor. NIJ also specifies the geometry of the knife and spike as well as the strike energy levels required for this level of protection. The biggest challenges are to design a thin, lightweight and ultra-concealable armor that can be worn under street clothes. In this study, several fundamental tasks involved in the design of such armor are addressed. First, the roles of design of experiments and regression analysis in experimental testing and finite element analysis are presented. Second, off-the-shelf materials available from international material manufacturers are characterized via laboratory experiments. Third, the calibration process required for a constitutive model is explained through the use of experimental data and computer software. Various material models in LS-DYNA for use in the finite element model are discussed. Numerical results are generated via finite element simulations and are compared against experimental data thus establishing the foundation for optimizing the design.
ContributorsVokshi, Erblina (Author) / Rajan, Subramaniam D. (Thesis advisor) / Neithalath, Narayanan (Committee member) / Mobasher, Barzin (Committee member) / Arizona State University (Publisher)
Created2012
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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

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
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Description
Concentrating solar thermal power systems gained a wide interest for a long time to serve as a renewable and sustainable alternate source of energy. While the optimization and modification are ongoing, focused generally on solar power systems to provide solar-electrical energy or solar-thermal energy, the production process of Ordinary Portland

Concentrating solar thermal power systems gained a wide interest for a long time to serve as a renewable and sustainable alternate source of energy. While the optimization and modification are ongoing, focused generally on solar power systems to provide solar-electrical energy or solar-thermal energy, the production process of Ordinary Portland Cement (OPC) has not changed over the past century. A linear refractive Fresnel lens application in cement production process is investigated in this research to provide the thermal power required to raise the temperature of lime up to 623 K (350C) with zero carbon emissions for stage two in a new proposed two-stage production process. The location is considered to be Phoenix, Arizona, with a linear refractive Fresnel lens facing south, tilted 33.45 equaling the location latitude, and concentrating solar beam radiation on an evacuated tube collector with tracking system continuously rotating about the north-south axis. The mathematical analysis showed promising results based on averaged monthly values representing an average hourly useful thermal power and receiver temperature during day-light hours for each month throughout the year. The maximum average hourly useful thermal power throughout the year was obtained for June as 33 kWth m-2 with a maximum receiver temperature achieved of 786 K (513C), and the minimum useful thermal power obtained during the month of December with 27 kWth m-2 and a minimum receiver temperature of 701 K (428C).
ContributorsAlkhuwaiteem, Mohammad (Author) / Phelan, Patrick (Thesis advisor) / Shuaib, Abdelrahman (Committee member) / Neithalath, Narayanan (Committee member) / Arizona State University (Publisher)
Created2021