Matching Items (5)
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- All Subjects: Molecular Dynamics
- Creators: Mignolet, Marc
- Member of: Theses and Dissertations
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
Description
Many industries require workers in warehouse and stockroom environments to perform frequent lifting tasks. Over time these repeated tasks can lead to excess strain on the worker's body and reduced productivity. This project seeks to develop an exoskeletal wrist fixture to be used in conjunction with a powered exoskeleton arm to aid workers performing box lifting types of tasks. Existing products aimed at improving worker comfort and productivity typically employ either fully powered exoskeleton suits or utilize minimally powered spring arms and/or fixtures. These designs either reduce stress to the user's body through powered arms and grippers operated via handheld controls which have limited functionality, or they use a more minimal setup that reduces some load, but exposes the user's hands and wrists to injury by directing support to the forearm. The design proposed here seeks to strike a balance between size, weight, and power requirements and also proposes a novel wrist exoskeleton design which minimizes stress on the user's wrists by directly interfacing with the object to be picked up. The design of the wrist exoskeleton was approached through initially selecting degrees of freedom and a ROM (range of motion) to accommodate. Feel and functionality were improved through an iterative prototyping process which yielded two primary designs. A novel "clip-in" method was proposed to allow the user to easily attach and detach from the exoskeleton. Designs utilized a contact surface intended to be used with dry fibrillary adhesives to maximize exoskeleton grip. Two final designs, which used two pivots in opposite kinematic order, were constructed and tested to determine the best kinematic layout. The best design had two prototypes created to be worn with passive test arms that attached to the user though a specially designed belt.
ContributorsGreason, Kenneth Berend (Author) / Sugar, Thomas (Thesis director) / Holgate, Matthew (Committee member) / Mechanical and Aerospace Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2016-12
Description
For the past two decades, advanced Limb Gait Simulators and Exoskeletons have been developed to improve walking rehabilitation. A Limb Gait Simulator is used to analyze the human step cycle and/or assist a user walking on a treadmill. Most modern limb gait simulators, such as ALEX, have proven themselves effective and reliable through their usage of motors, springs, cables, elastics, pneumatics and reaction loads. These mechanisms apply internal forces and reaction loads to the body. On the other hand, external forces are those caused by an external agent outside the system such as air, water, or magnets. A design for an exoskeleton using external forces has seldom been attempted by researchers. This thesis project focuses on the development of a Limb Gait Simulator based on a Pure External Force and has proven its effectiveness in generating torque on the human leg. The external force is generated through air propulsion using an Electric Ducted Fan (EDF) motor. Such a motor is typically used for remote control airplanes, but their applications can go beyond this. The objective of this research is to generate torque on the human leg through the control of the EDF engines thrust and the opening/closing of the reverse thruster flaps. This device qualifies as "assist as needed"; the user is entirely in control of how much assistance he or she may want. Static thrust values for the EDF engine are recorded using a thrust test stand. The product of the thrust (N) and the distance on the thigh (m) is the resulting torque. With the motor running at maximum RPM, the highest torque value reached was that of 3.93 (Nm). The motor EDF motor is powered by a 6S 5000 mAh LiPo battery. This torque value could be increased with the usage of a second battery connected in series, but this comes at a price. The designed limb gait simulator demonstrates that external forces, such as air, could have potential in the development of future rehabilitation devices.
ContributorsToulouse, Tanguy Nathan (Author) / Sugar, Thomas (Thesis director) / Artemiadis, Panagiotis (Committee member) / Mechanical and Aerospace Engineering Program (Contributor) / Barrett, The Honors College (Contributor)
Created2016-12
Description
Robotic joints can be either powered or passive. This work will discuss the creation of a passive and a powered joint system as well as the combination system being both powered and passive along with its benefits. A novel approach of analysis and control of the combination system is presented.
A passive and a powered ankle joint system is developed and fit to the field of prosthetics, specifically ankle joint replacement for able bodied gait. The general 1 DOF robotic joint designs are examined and the results from testing are discussed. Achievements in this area include the able bodied gait like behavior of passive systems for slow walking speeds. For higher walking speeds the powered ankle system is capable of adding the necessary energy to propel the user forward and remain similar to able bodied gait, effectively replacing the calf muscle. While running has not fully been achieved through past powered ankle devices the full power necessary is reached in this work for running and sprinting while achieving 4x’s power amplification through the powered ankle mechanism.
A theoretical approach to robotic joints is then analyzed in order to combine the advantages of both passive and powered systems. Energy methods are shown to provide a correct behavioral analysis of any robotic joint system. Manipulation of the energy curves and mechanism coupler curves allows real time joint behavioral adjustment. Such a powered joint can be adjusted to passively achieve desired behavior for different speeds and environmental needs. The effects on joint moment and stiffness from adjusting one type of mechanism is presented.
A passive and a powered ankle joint system is developed and fit to the field of prosthetics, specifically ankle joint replacement for able bodied gait. The general 1 DOF robotic joint designs are examined and the results from testing are discussed. Achievements in this area include the able bodied gait like behavior of passive systems for slow walking speeds. For higher walking speeds the powered ankle system is capable of adding the necessary energy to propel the user forward and remain similar to able bodied gait, effectively replacing the calf muscle. While running has not fully been achieved through past powered ankle devices the full power necessary is reached in this work for running and sprinting while achieving 4x’s power amplification through the powered ankle mechanism.
A theoretical approach to robotic joints is then analyzed in order to combine the advantages of both passive and powered systems. Energy methods are shown to provide a correct behavioral analysis of any robotic joint system. Manipulation of the energy curves and mechanism coupler curves allows real time joint behavioral adjustment. Such a powered joint can be adjusted to passively achieve desired behavior for different speeds and environmental needs. The effects on joint moment and stiffness from adjusting one type of mechanism is presented.
ContributorsHolgate, Robert (Author) / Sugar, Thomas (Thesis advisor) / Artemiades, Panagiotis (Thesis advisor) / Berman, Spring (Committee member) / Mignolet, Marc (Committee member) / Davidson, Joseph (Committee member) / Arizona State University (Publisher)
Created2017
Description
Aromatic polymers, with benzene-like rings in their main chains, include materials such as polyurea, an amorphous elastomer capable of dissipating large amounts of energy under dynamic loading, which makes it a promising coating for defensive systems. Although computational research exists that investigates the atomic-level response of polyurea and other amorphous aromatic polymers to extreme conditions, there is little experimental work to validate these models 1) at the atomic-scale and 2) under high pressures characteristic of extreme dynamic loading. Understanding structure-property relationships at the atomic-level is important for polymers, considering many of them undergo pressure and temperature-induced structural transformations, which must be understood to formulate accurate predictive models. This work aims to gain a deeper understanding of the high-pressure structural response of aromatic polymers at the atomic-level, with emphasis into the mechanisms associated with high-pressure transformations. Hence, atomic-level structural data at high pressures was obtained in situ via multiangle energy dispersive X-ray diffraction (EDXD) experiments at the Advanced Photon Source (APS) for polyurea and another amorphous aromatic polymer, polysulfone, chosen as a reference due to its relatively simple structure. Pressures up to 6 GPa were applied using a Paris Edinburgh (PE) hydraulic press at room temperature. Select polyurea samples were also heated to 277 °C at 6 GPa. The resulting structure factors and pair distribution functions, along with molecular dynamics simulations of polyurea provided by collaborators, suggest that the structures of both polymers are stable up to 6 GPa, aside from reductions in free-volume between polymer backbones. As higher pressures (≲ 32 GPa) were applied using diamond anvils in combination with the PE press, indications of structural transformations were observed in both polymers that appear similar in nature to the sp2-sp3 hybridization in compressed carbon. The transformation occurs gradually up to at least ~ 26 GPa in PSF, while it does not progress past ~ 15 GPa in polyurea. The changes are largely reversible, especially in polysulfone, consistent with pressure-driven, reversible graphite-diamond transformations in the absence of applied temperature. These results constitute some of the first in situ observations of the mechanisms that drive pressure-induced structural transformations in aromatic polymers.
ContributorsEastmond, Tyler (Author) / Peralta, Pedro (Thesis advisor) / Hoover, Christian (Committee member) / Hrubiak, Rostislav (Committee member) / Mignolet, Marc (Committee member) / Oswald, Jay (Committee member) / Arizona State University (Publisher)
Created2022