Mechanics of Materials Commons^™

Phonon Thermodynamics Of Bcc Zirconium With Machine Learning, Vanessa Judith Meraz

Open Access Theses & Dissertations

First principles-based simulations have allowed us to explore emerging phenomena in a variety of systems. Its steadfast practicality has led to an increase in molecular and materials design ranging from drug discovery to planetary formation. However ubiquitous in its field, one of its biggest drawbacks is its computational cost, notably so in molecular dynamics simulations. To counter this setback, there have been many leading efforts in machine learning methods, whether it be in algorithms or network architectures. Our contribution uses an active learning algorithm paired with a tensor field network, e3nn. By steadily feeding new data points to our model, …

Evolution Of The Magnetic Properties On Van Der Waals Layered Magnets Via Pressure And Proton Irradiation, Rubyann Olmos

Open Access Theses & Dissertations

Probing the magnetism in quasi two-dimensional materials has the potential in driving their properties towards future use in spin electronic based devices. Studying such layered magnets will enable the scientific community to uncover tunable exotic phases such as superconductivity, quantum paramagnetism, etc. This work examines the influence of two types of external perturbations, namely, the pressure and proton irradiation, on the magnetic properties of several compounds in the van der Waals crystal family.

Pressure has been found to induce structural and magnetic phase transitions in many of these materials. Using hydrostatic pressure as a disorderless approach to manipulate the interlayer …

Material Synthesis And Machine Learning For Additive Manufacturing, Jaime Eduardo Regis

Open Access Theses & Dissertations

The goal of this research was to address three key challenges in additive manufacturing (AM), the need for feedstock material, minimal end-use fabrication from lack of functionality in commercially available materials, and the need for qualification and property prediction in printed structures. The near ultraviolet-light assisted green reduction of graphene oxide through L-ascorbic acid was studied with to address the issue of low part strength in additively manufactured parts by providing a functional filler that can strengthen the polymer matrix. The synthesis of self-healing epoxy vitrimers was done to adapt high strength materials with recyclable properties for compatibility with AM …

Suitability Of Low-Cost Additive Manufacturing For Polymer Electrolyte Fuel Cells, David Alexander

Open Access Theses & Dissertations

The purpose of this dissertation is to study the feasibility of low-cost additive manufacturing to fabricate polymer electrolyte fuel cell bipolar plate materials. Traditional manufacturing techniques include molding, milling, hollow embossing, hydro-forming, rolling, and electromagnetic forming. These processes are employed when a design has been selected due to higher costs at low volumes. The combination of high initial costs and bipolar plates being the most expensive component of the polymer electrolyte fuel cell creates incentive to mitigate this obstacle. The feasibility of low-cost additive manufactured bipolar plates will be proven by fabrication, post-processing, and characterization of printed test specimen. The …

Ultrahigh Strength-High Ductility Combination Low Density Austenitic Steel: Effect Of Aging Temperature And Strain Rate, Jaehyun Kim

Open Access Theses & Dissertations

The objective of the study was to optimize the post-thermal treatment of hot rolled Fe-0.92C-26.3Mn-8.79Al-0.05Nb steel. In this regard, the hardness of the experimental steel was studied as a function of aging time and/or strain rate. The study provided an understanding of aging heat treatment for the experimental steel, which was processed by vacuum induction melting, followed by thermo-mechanical rolling involving multiple passes. The rolled steel was subsequently annealed at 900 °C for 4 h followed by water quenching. X-ray diffraction in scanning mode of 2¸=20-100o indicated the presence of austenite structure. In order to study the influence of aging …

Investigation Of Refractory High Entropy Alloys For Extreme Environment Applications, Rebecca Alexandra Romero

Open Access Theses & Dissertations

High entropy alloys (HEAs) have emerged as an exciting class of materials with the potential for a wide range of structural, high-temperature applications. HEAs may be defined on a compositional basis as five or more principal elements in equimolar ratios. This definition led to the term “high entropy” due to the high configurational entropy which is obtained with principal elements in these amounts. The combination of elements has contributed to materials that may favor solid-solution phases over intermetallic phases and have the potential to possess highly desired material properties including high yield and creep strength. The inclusion of refractory metals …

Novel Thermal Coating For High-Speed Airplanes, Abinash Satapathy, Lakshay Battu, Liam Watson, Nazanin Rajabi

Symposium of Student Scholars

In comparison to various other materials, Carbon Fiber, specifically Carbon Fiber Reinforced Polymers (CFRP), is pre-eminent amongst other materials for use on aeronautical systems. Due to its high specific strength (strength-to-weight ratio), CFRP is prominent for carrying heavy loads while maintaining a lightweight build. However, when influenced by heat resulting from air resistance, CFRP is known to undergo serious degradation that would significantly decrease the effectiveness of the polymers. To prevent this degradation and maintain the strength of the CFRP, thermal protective layers (TPLs) are designed to shield the CFRP from heat exposure. This research is focused on the examination …

Method Of Embedded Imperfections For The Direct Simulation Of Deformation Instabilities In Film-Substrate Structures, Siavash Nikravesh Kazeroni

Mechanical Engineering ETDs

In this dissertation, a novel finite-element methodology called “embedded imperfections” is proposed and employed for computationally simulating various types of deformation instabilities observed in film-substrate structures subjected to mechanical loading. The approach involves the incorporation of elements having distinctive material properties within the film-substrate interface. One can interpret this practice as a deliberate distribution of material defects within the numerical model. It has been shown that embedded imperfections not only can trigger the onset of instability, but also can lead to “direct” simulation of deformation instability problems in that primary and subsequent instability modes can all be captured in a …

A Dislocation-Based Crystal Plasticity Model For Hexagonal Close-Packed Polycrystals, Omid Sedaghat

Electronic Thesis and Dissertation Repository

Due to their low neutron absorption cross-section and good corrosion properties, zirconium and its alloys have been widely used as the structural material in the core of nuclear reactors. These alloys are exposed to an intensive neutron flux which may lead to dimensional instabilities and the degradation of the mechanical properties of the alloy over the service time of the reactor. The changes in deformation behavior and mechanical properties can be traced back to the formation, evolution, and interaction of the irradiation-induced microstructural defects, e.g., point defect clusters, dislocation loops, and complex dislocation line networks. However, the materials constitutive models …

Machine Learning Assisted Discovery Of Shape Memory Polymers And Their Thermomechanical Modeling, Cheng Yan

LSU Doctoral Dissertations

As a new class of smart materials, shape memory polymer (SMP) is gaining great attention in both academia and industry. One challenge is that the chemical space is huge, while the human intelligence is limited, so that discovery of new SMPs becomes more and more difficult. In this dissertation, by adopting a series of machine learning (ML) methods, two frameworks are established for discovering new thermoset shape memory polymers (TSMPs). Specifically, one of them is performed by a combination of four methods, i.e., the most recently proposed linear notation BigSMILES, supplementing existing dataset by reasonable approximation, a mixed dimension (1D …

Ultra-Broadband And Polarization-Insensitive Metasurface Absorber With Behavior Prediction Using Machine Learning, Shobhit K. Patel, Juveriya Parmar, Vijay Katkar, Fahad Ahmed Al-Zahrani, Kawsar Ahmed

Mechanical & Materials Engineering Faculty Publications

The solar spectrum energy absorption is very important for designing any solar absorber. The need for absorbing visible, infrared, and ultraviolet regions is increasing as most of the absorbers absorb visible regions. We propose a metasurface solar absorber based on Ge₂Sb₂Te₅ (GST) substrate which increases the absorption in visible, infrared and ultraviolet regions. GST is a phase-changing material having two different phases amorphous (aGST) and crystalline (cGST). The absorber is also analyzed using machine learning algorithm to predict the absorption values for different wavelengths. The solar absorber is showing an ultra-broadband response covering a 0.2–1.5 …

Closed-Loop Control Of Meltpool Temperature In Directed Energy Deposition, Ziyad M. Smoqi, Ben Bevans, Aniruddha Gaikwad, James Craig, Alan Abul-Haj, Brent Roeder, Bill Macy, Jeffrey E. Shield, Prahalada K. Rao

Mechanical & Materials Engineering Faculty Publications

The objective of this work is to mitigate flaw formation in powder and laser-based directed energy deposition (DED) additive manufacturing process through close-loop control of the meltpool temperature. In this work, the meltpool temperature was controlled by modulating the laser power based on feedback signals from a coaxial two-wavelength imaging pyrometer. The utility of closed-loop control in DED is demonstrated in the context of practically inspired trapezoid-shaped stainlesssteel parts (SS 316L). We demonstrate that parts built under closed-loop control have reduced variation in porosity and uniform microstructure compared to parts built under open-loop conditions. For example, post-process characterization showed that …

A Materials Study Of Topological Insulators And Two-Dimensional Ferromagnets, Sarah Friedensen

Publicly Accessible Penn Dissertations

Topological insulators and two-dimensional ferromagnetic materials are novel phases with wideranging applications including quantum computing, spintronics, and other advanced electronic devices with the potential for ultrathin and ultralow-power wearables. TEM, AFM, EDS, Ramanspectroscopy, and low-temperature transport measurement are used to characterize an unusual superconducting alloy formed between palladium and bismuth selenide under low-temperature annealing. TEM, AFM, and EDS are used to perform a materials study of metallic nickel and niobium annealed with Bi2Se3 under similar conditions, with the conclusion that Ni reacts to form a diffuse layer within Bi2Se3 flakes that travels along edges and line defects, and Nb does …

Polymer Dynamics In Disordered Nanoparticle Packings: Effect Of Confinement, Interfaces, And Humidity, R Bharath Venkatesh

Publicly Accessible Penn Dissertations

Infiltration of polymers into disordered nanoparticle packings has shown to be a powerful method of fabricating highly loaded nanocomposites with superb mechanical properties. Polymer-infiltrated nanoparticle packings provide a unique platform to study the dynamics of macromolecules under extreme nanoconfinement. The degree of confinement can be tuned by appropriate choice of particle size and polymer molecular weight. The presence of large interfacial area between the polymer and the particle, high degree of nanoconfinement, and environmental triggers like atmospheric humidity can impact the dynamics of polymers at the segmental and the chain level. By using tools like microscopy, ellipsometry and molecular dynamic …

Adjust-A-Ramp, Taylor Sharrits, Courtney Banks, Emily Beck, Jazmin Buenrostro

Williams Honors College, Honors Research Projects

Adjust-A-Ramp is a portable ramp designed to ensure the safety of consumers and prevention of damage to cars, specifically towards low profile cars. A low-profile vehicle includes any vehicle that has a clearance off the ground of 6.5 inches or less. Advantages of low-profile vehicles include improved handling, better braking, increased fuel efficiency, increased stability, and an overall luxury aesthetic. The reduced tire size increases grip on smooth surfaces with better wheel response, creating a fast, more efficient ride. The simple tire tread patterns and the stiff sidewalls allow for lower rolling resistance which increases fuel economy. The Adjust-A-Ramp can …

Spring 2022 Superhydrophobic Materials, T. Leo Liu

Science and Engineering Saturday Seminars

Many natural surfaces, such as lotus leaves and a water strider’s leg, have shown striking water repellency so that they remain clean and dry even in “dirty” habitats. Such water repellency is called superhydrophobicity, which has stimulated lots of science and engineering imagination for self-cleaning windows, never dirty clothes, drag-reduction swimming suits, etc. In this workshop, we will use superhydrophobicity as a model to guide an integrative teaching and learning experience through hands-on experiments, critical thinking, basic science, as well as a lecture on state-of-the-art research discoveries. The objectives of this workshop are to (1) stimulate student curiosity and imagination …

Rational Design Of Flexible And Stretchable Electronics Based On 3d Printing, Yuanhang Yang

Theses and Dissertations

Flexible and stretchable electronics have been considered as the key component for the next generation of flexible devices. There are many approaches to prepare the devices, such as dip coating, spin coating, Mayer bar coating, filtration and transfer, and printing, etc. The effectiveness of these methods has been proven, but some drawbacks cannot be ignored, such as lacking pattern control, labor consuming, requiring complex pretreatment, wasting conductive materials, etc.

In this investigation, we propose to adopt 3D printing technology to design flexible and stretchable electronics. The objective is to rationally design flexible and stretchable sensors, simplify the preparation process, form …

A Computational Exploration Of The Scandate Cathode Surface, Shankar Miller-Murthy

Theses and Dissertations--Chemical and Materials Engineering

The exact surface configuration of scandate cathodes has been a point of contention for the materials community for a long time. Without proper understanding of it and the related structures and emission mechanisms, scandate cathodes remain patchy and unreliable emitters. Thus, density functional theory techniques were applied to various potential surface arrangements and found that there are several low-energy surfaces with low work functions that incorporate a scandium interlayer between tungsten and oxygen or otherwise have a scandium-on-tungsten structure. Furthermore, it was discovered that adding a monolayer of scandium directly to a tungsten surface is surprisingly favorable, thermodynamically. While none …

Metal-Air Power Sources With Hydrogel Electrolytes For Long Endurance Robots, Min Wang

Publicly Accessible Penn Dissertations

To power electronics for long durations, batteries need to be recharged because they store only a small amount of total energy, which is limited by the mass of energy storage materials in the battery electrodes. Harvesters can provide longer continuous energy, but their limited power and need for precise operating conditions severely restricts their application in off-grid robots, microelectronics, and internet connected devices. In this dissertation, we designed a new strategy for powering robots and electronics by electrochemically scavenging energy from metal surfaces, which breaks energy storage scaling laws by allowing robots and electronics to extract energy from large volumes …

Using Time-Resolved Electron Microscopy And Data Analytics To Quantify The Evolution Of Supported Metal Nanoparticles, James Peter Horwath

Publicly Accessible Penn Dissertations

Supported precious metal nanoparticles are important heterogeneous catalysts for both industrial processes and commercial products. Their high catalytic activity stems from their high surface free energy and under-coordinated surfaces, however these same properties destabilize the particles and cause them to grow and deactivate. While research studying the degradation of supported catalysts has been undertaken for decades, the exact mechanisms at play, and how the vary with reaction conditions, are not well understood. Advances in experimental instrumentation have positioned Transmission Electron Microscopy (TEM) as an ideal tool for characterizing the dynamic evolution of these nanoscale systems with both high spatial and …