Materials Science and Engineering Commons^™

Strategy For Conjugating Oligopeptides To Mesoporous Silica Nanoparticles Using Diazirine-Based Heterobifunctional Linkers, Md Arif Khan, Ramy W. Ghanim, Maelyn R. Kiser, Mahsa Moradipour, Dennis T. Rogers, John M. Littleton, Luke H. Bradley, Bert C. Lynn, Stephen E. Rankin, Barbara L. Knutson

Chemical and Materials Engineering Faculty Publications

Successful strategies for the attachment of oligopeptides to mesoporous silica with pores large enough to load biomolecules should utilize the high surface area of pores to provide an accessible, protective environment. A two-step oligopeptide functionalization strategy is examined here using diazirine-based heterobifunctional linkers. Mesoporous silica nanoparticles (MSNPs) with average pore diameter of ~8 nm and surface area of ~730 m²/g were synthesized and amine-functionalized. Tetrapeptides Gly-Gly-Gly-Gly (GGGG) and Arg-Ser-Ser-Val (RSSV), and a peptide comprised of four copies of RSSV (4RSSV), were covalently attached via their N-terminus to the amine groups on the particle surface by a heterobifunctional linker, …

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 …

Pitch-Based Carbon Fiber Derived From Coal Extract Liquids, Cierra Danielle Crowe

Theses and Dissertations--Chemical and Materials Engineering

Limited coal coking operations and the use of coal-tar pitch as a binding agent in the production of metallurgical anodes has led to a limited availability of coal tar pitch for carbon fiber products. This has sparked interest in utilizing non-metallurgical coal-based liquids as an alternative to traditional coal tar from metcoke operations. This can be achieved by low severity solvent extraction, with heavy aromatic solvents, to produce coal liquids that act as precursor to pitch-based carbon fiber. This thesis aims to establish the processing and determine the impact of utilizing coal liquids to produce carbon fiber. In this work …

Green-Route Synthesis Of Halide Perovskite Materials And Their Optoelectronic Properties, Xiaobing Tang

Theses and Dissertations--Chemical and Materials Engineering

Colloidal semiconductor quantum dots (QDs), also called as nanocrystals (NCs), are a class of functional materials with extraordinary properties, which are different from their bulk counterparts and benefit from their exclusive quantum confinement (size) effect. Semiconductor exhibits the quantum confinement effect when the characteristic size of the semiconductor is comparable to or smaller than the de Broglie wavelength of the electron wave function and/or the exciton Bohr diameter of the bulk semiconductor. In recent years, metal halide perovskite NCs, as next-generation semiconductor materials for lighting and display, have aroused a wide attention due to their excellent optoelectronic properties. However, traditional …

Laptop Recycling Case Study: Estimating The Contained Value And Value Recovery Process Feasibility Of End-Of-Life Consumer Electronics, Zebulon Hart

Theses and Dissertations--Mining Engineering

Work has been done to establish, through the development and use of novel assay techniques and analysis metrics, the contained value of a sampling of laptop computers (as an analog for myriad e-waste sources). This work has conceptualized e-waste as an alternative to geologic-origin complex metallic ores and has likewise evaluated the feasibility of value recovery from e-waste sources in a similar manner to an ore. The application of conventional and novel mineral separation techniques to e-waste recycling processes has been evaluated and positive results are demonstrated. Further, this work has demonstrated the ability to identify the presence of base …

An Electrochemical-Mechanical Investigation Of Next Generation Lithium Metal Electrode And Solid Electrolyte, Andrew Meyer

Theses and Dissertations--Chemical and Materials Engineering

Lithium-ion batteries (LIBs) are a staple in today’s society. From our cellphones, laptops, power tools, the ever-growing electric vehicle, and many more application, LIBs are more important to us than most realize. They provide the best combination of both high-energy and high-power density compared to other battery types such as Ni-Cd, Ni-MH, or the lead acid batteries used in our cars. Plus, LIBs are much safer. However, as new technologies grow and are developed, the demand for higher energy and power density, better safety, lower costs, and longer life increases. One way to achieve the ever-increasing demands is to replace …

Improving Manufacturing Processes For Making Lithium Ion Battery Electrodes, Ming Wang

Theses and Dissertations--Chemical and Materials Engineering

Rechargeable lithium-ion batteries (LIBs) are widely used to provide energy and power in portable electronics, electric vehicles, and energy storage systems. The LIB market has grown dramatically as they have a combination of high energy density, high power density, proven reliability, and long cycle life. The manufacturing process is one of the key factors as it strongly affects the cost and performance of LIBs.

This dissertation is focused firstly on the development of a conventional slurry-based electrode manufacturing process. Slurry making is a critical step that affects the subsequent steps in battery manufacturing. In this work, we have investigated the …

Microscale Contact And Friction Of Low Modulus, Lightly Crosslinked Polydimethylsiloxane, Justin Glover

Theses and Dissertations--Chemical and Materials Engineering

Friction and adhesion of soft materials are important for pressure sensitive adhesives, biomaterials, and soft robotics; however, the behavior on the microscale is not fully understood. When two objects come into contact, their interactions are usually mediated by small contact points due to surface roughness. At the microscale size, surface forces can deform soft materials to minimize energy by increasing the contact area, which is balanced by the elastic deformation of the polymer network. However, for soft, crosslinked materials with a modulus below ~100 kPa, it is challenging to predict the behavior with prior contact and friction models. Additionally, lightly …

Derivation, Exploration And Evaluation Of Non-Equiatomic High Entropy Alloys, Artashes Ter-Isahakyan

Theses and Dissertations--Chemical and Materials Engineering

High-entropy alloys (HEAs) are a class of multicomponent alloys based on an innovative alloying strategy that employs multi-principle elements in relatively high concentrations. Commonly defined as alloys that contain at least five principal elements, each with a concentration between 5 and 35 at %. The term entropy refers to the excess configurational entropy associated with HEAs, which is thought to facilitate the formation of solid solutions. The design strategy results in vast compositional space for exploration and innovative potential triggering a renaissance in physical metallurgy. These alloys may have favorable properties compared to conventional dilute solid solutions, but their preeminent …

Numerical Investigation On The Effect Of Spectral Radiative Heat Transfer Within An Ablative Material, Raghava S. C. Davuluri, Rui Fu, Kaveh A. Tagavi, Alexandre Martin

Mechanical Engineering Faculty Publications

The spectral radiative heat flux could impact the material response. In order to evaluate it, a coupling scheme between KATS - MR and P1 approximation model of radiation transfer equation (RTE) is constructed and used. A Band model is developed that divides the spectral domain into small bands of unequal widths. Two verification studies are conducted: one by comparing the simulation computed by the Band model with pure conduction results and the other by comparing with similar models of RTE. The comparative results from the verification studies indicate that the Band model is computationally efficient and can be used to …

High Depth-Of-Discharge Zinc Rechargeability Enabled By A Self-Assembled Polymeric Coating, David J. Arnot, Matthew B. Lim, Nelson S. Bell, Noah B. Schorr, Ryan C. Hill, Andrew Meyer, Yang-Tse Cheng, Timothy N. Lambert

Chemical and Materials Engineering Faculty Publications

Zinc has the potential for widespread use as an environmentally friendly and cost-effective anode material pending the resolution of rechargeability issues caused by active material loss and shape change. Here, a self-assembled Nafion-coated Celgard 3501 (NC-Celgard) separator is shown to enable unprecedented cycle life of a Zn anode in alkaline electrolyte at high depth-of-discharge (DOD_Zn). Using commercially relevant energy-dense electrodes with high areal capacities of 60 mAh cm^–2, Zn–Ni cells tested at 20% DOD_Zn cells achieve over 200 cycles while 50% DOD_Zn cells achieve over 100 cycles before failure. The 20% and 50% DOD …

Fully Coupled Internal Radiative Heat Transfer For The 3d Material Response Of Heat Shield, Raghava S. C. Davuluri, Rui Fu, Kaveh A. Tagavi, Alexandre Martin

Mechanical Engineering Faculty Publications

The radiative transfer equation (RTE) is strongly coupled to the material response code KATS. A P-1 approximation model of RTE is used to account for radiation heat transfer within the material. First, the verification of the RTE model is performed by comparing the numerical and analytical solutions. Next, the coupling scheme is validated by comparing the temperature profiles of pure conduction and conduction coupled with radiative emission. The validation study is conducted on Marschall et al. cases (radiant heating, arc-jet heating, and space shuttle entry), 3D Block, 2D IsoQ sample, and Stardust Return Capsule. The validation results agree well for …

Advanced Research And Development Of Face Masks And Respirators Pre And Post The Coronavirus Disease 2019 (Covid-19) Pandemic: A Critical Review, Ebuka A. Ogbuoji, Amr M. Zaky, Isabel C. Escobar

Chemical and Materials Engineering Faculty Publications

The outbreak of the COVID-19 pandemic, in 2020, has accelerated the need for personal protective equipment (PPE) masks as one of the methods to reduce and/or eliminate transmission of the coronavirus across communities. Despite the availability of different coronavirus vaccines, it is still recommended by the Center of Disease Control and Prevention (CDC), World Health Organization (WHO), and local authorities to apply public safety measures including maintaining social distancing and wearing face masks. This includes individuals who have been fully vaccinated. Remarkable increase in scientific studies, along with manufacturing-related research and development investigations, have been performed in an attempt to …

Polymers And Solvents Used In Membrane Fabrication: A Review Focusing On Sustainable Membrane Development, Xiaobo Dong, David Lu, Tequila A. L. Harris, Isabel C. Escobar

Chemical and Materials Engineering Faculty Publications

(1) Different methods have been applied to fabricate polymeric membranes with non-solvent induced phase separation (NIPS) being one of the mostly widely used. In NIPS, a solvent or solvent blend is required to dissolve a polymer or polymer blend. N-methyl-2-pyrrolidone (NMP), dimethylacetamide (DMAc), dimethylformamide (DMF) and other petroleum-derived solvents are commonly used to dissolve some petroleum-based polymers. However, these components may have negative impacts on the environment and human health. Therefore, using greener and less toxic components is of great interest for increasing membrane fabrication sustainability. The chemical structure of membranes is not affected by the use of different solvents, …

Fluid Separation And Network Deformation In Wetting Of Soft And Swollen Surfaces, Zhuoyun Cai, Artem Skabeev, Svetlana Morozova, Jonathan T. Pham

Chemical and Materials Engineering Faculty Publications

When a water drop is placed onto a soft polymer network, a wetting ridge develops at the drop periphery. The height of this wetting ridge is typically governed by the drop surface tension balanced by elastic restoring forces of the polymer network. However, the situation is more complex when the network is swollen with fluid, because the fluid may separate from the network at the contact line. Here we study the fluid separation and network deformation at the contact line of a soft polydimethylsiloxane (PDMS) network, swollen with silicone oil. By controlling both the degrees of crosslinking and swelling, we …

Scale Model Test To Estimate Thermal Damage By Fire In Aircraft Cargo, Jian Gao, Tsuneyoshi Matsuoka, Yuji Nakamura

Progress in Scale Modeling, an International Journal

The Federal Aviation Administration (FAA) requires fire detectors to alarm within one minute of the start of a fire in cargo compartments of airplanes. To determine whether such alarm timing works, investigations of the thermal damage to ceilings and other structures during the early stage of a fire were accomplished to demonstrate compliance with these FAA regulations. The objective was to test the feasibility of predicting convective heat transfer in early stage of a cargo compartment fire by conducting reduced scale (lab scale) experiments. First, the scaling laws was derived and validated. Then, full-scale and half-scale experiments were performed with …

Corrosion Protective Film Formation On Mg Alloys Az 31 By Exposure To Dilute Selenite Solutions, Zhiyuan Feng, Charles C. Xu, Dadi Zhang, Rudolph Buchheit

Chemical and Materials Engineering Faculty Publications

The study of protective film formation on Mg alloys by exposure to sodium selenite solutions was conducted. Anodic polarization studies, electrochemical impedance spectroscopy studies, morphological analysis, and Energy-dispersive X-ray spectroscopy were performed on AZ31 Mg alloy after coating treatment in different concentrations of sodium selenite. The corrosion resistance was improved by around 5 times compared with control. Improved resistance to localized corrosion was observed in the coatings treated by 5 mM or 10 mM sodium selenite. The protection mechanism was ascribed to the transformation of selenite to insoluble selenium, the formation of insoluble MgSeO₃ hydrate, and polymerization of amorphous …

N-Type Charge Transport In Heavily P-Doped Polymers, Zhiming Liang, Hyun Ho Choi, Xuyi Luo, Tuo Liu, Ashkan Abtahi, Uma Shantini Ramasamy, J. Andrew Hitron, Kyle N. Baustert, Jacob L. Hempel, Alex M. Boehm, Armin Ansary, Douglas R. Strachan, Jianguo Mei, Chad Risko, Vitaly Podzorov, Kenneth R. Graham

Chemistry Faculty Publications

It is commonly assumed that charge-carrier transport in doped π-conjugated polymers is dominated by one type of charge carrier, either holes or electrons, as determined by the chemistry of the dopant. Here, through Seebeck coefficient and Hall effect measurements, we show that mobile electrons contribute substantially to charge-carrier transport in π-conjugated polymers that are heavily p-doped with strong electron acceptors. Specifically, the Seebeck coefficient of several p-doped polymers changes sign from positive to negative as the concentration of the oxidizing agents FeCl3 or NOBF4 increase, and Hall effect measurements for the same p-doped polymers reveal that …

Wetting And Brazing Of Yig Ceramics Using Ag–Cuo–Tio2 Metal Filler, Wanqi Zhao, Shuye Zhang, Jian Yang, Tiesong Lin, Dusan P. Sekulic, Peng He

Mechanical Engineering Faculty Publications

The wetting and brazing of Y₃Fe₅O₁₂ (YIG) ceramics with a Ag–8CuO–2TiO₂ filler was investigated for the first time. For comparison, the wettability of a Ag–10CuO filler on YIG ceramics was similarly investigated. The Ag–8CuO–2TiO₂ filler has an equilibrium contact angle of approximately 31 °C on the YIG substrate at 1000 °C; thus, its wettability is excellent. Moreover, its wettability exceeds that of Ag–10CuO. The microstructure and the interfacial structure between the filler and the substrate were determined using scanning electron microscopy, X-ray diffraction, EPMA and transmission electron microscopy. The liquid Ag–8CuO–2TiO₂ filler …

Modeling Of Rare Earth Solvent Extraction Process For Flowsheet Design And Optimization, Vaibhav Kumar Srivastava

Theses and Dissertations--Mining Engineering

The separation and purification of rare earth elements (REEs) into individual products has been a topic of significant interest for researchers and engineers for many decades. The prime reason for such sustained interest is due to REEs’ demand and application in modern technology, as well as the challenges associated with their separation and purification. The chemical similarity of rare earth group elements is responsible for difficult separability which makes purification of individual elements challenging. Despite associated complications, processes such as solvent extraction (SX) and ion-exchange have been successfully utilized in the separation and production of REEs on pilot and commercial …

Dual-Functional Phosphorene Nanocomposite Membranes For The Treatment Of Perfluorinated Water: An Investigation Of Perfluorooctanoic Acid Removal Via Filtration Combined With Ultraviolet Irradiation Or Oxygenation, Joyner Eke, Lillian Banks, M. Abdul Mottaleb, Andrew J. Morris, Olga V. Tsyusko, Isabel C. Escobar

Internal Medicine Faculty Publications

Nanomaterials with tunable properties show promise because of their size-dependent electronic structure and controllable physical properties. The purpose of this research was to develop and validate environmentally safe nanomaterial-based approach for treatment of drinking water including removal and degradation of per- and polyfluorinated chemicals (PFAS). PFAS are surfactant chemicals with broad uses that are now recognized as contaminants with a significant risk to human health. They are commonly used in household and industrial products. They are extremely persistent in the environment because they possess both hydrophobic fluorine-saturated carbon chains and hydrophilic functional groups, along with being oleophobic. Traditional drinking water …

Tailoring Texture, Microstructure, And Shape Memory Behavior Of Niti Alloys Fabricated By L-Pbf-Am, Sayed Ehsan Saghaian N.E.

Theses and Dissertations--Mechanical and Aerospace Engineering

Laser Powder Bed Fusion (L-PBF) is one of the most promising Additive Manufacturing (AM) methods to fabricate near net-shape metallic materials for a wide range of applications such as patient-specific medical devices, functionally graded materials, and complex structures. NiTi shape memory alloys (SMAs) are of great interest due to a combination of unique features, such as superelasticity, shape memory effect, high ductility, work output, corrosion resistance, and biocompatibility that could be employed in many applications in automotive, aerospace, and biomedical industries. Due to the difficulties with traditional machining and forming of NiTi components, the ability to fabricate complex parts, tailor …

Viscoelasticity Of Ptfe-Based Face Seals, Bo Tan

Theses and Dissertations--Mechanical and Aerospace Engineering

PTFE-based materials are widely used in areas of tribology, particularly in seal and bearing applications because of their outstanding self-lubricating properties. Often in dynamic seal applications there is a need for ultra-low mechanical friction loss between the sealing surfaces. Due to its extremely low friction coefficient, there is interest in employing Polytetrafluoroethylene (PTFE) materials in such applications. One challenging aspect of employing PTFE is that these materials are viscoelastic and plastic. This dissertation concentrates on the modeling of viscoelastic material response when used as mechanical face seals with a focus on PTFE-based materials. First, the viscoelastic characteristics are measured through …

Fabrication Of Nanoporous Materials For Applications Under Extreme Environments, Maria Kosmidou

Theses and Dissertations--Chemical and Materials Engineering

The study of nanoporous materials has become a key aspect of nanotechnology due to their high surface-area-to-volume ratio, arising from the small size ligaments and pores that form the structure. Sensing, catalysis, micro-electromechanical systems (MEMS), medical applications, and materials for radiation environments are some of the applications for which nanoporous materials are considered great candidates. This work, performed at the Ion Beam Laboratory (IBL) at Sandia National Laboratories (SNL), examines the effect of heavy and light ion irradiation exposure on nanoporous Au. Radiation damage accumulation is observed with real-time recording of the creation, migration, and removal of the radiation-induced defects …

Electrochemical Performance Of Biomass-Derived Activated Carbon Supercapacitor Under Compression, Yulin Zhang

Theses and Dissertations--Chemical and Materials Engineering

Supercapacitors are important energy storage device of high-power density, fast charge/discharge rate, environmental friendliness and long service life. Currently, flexible supercapacitors have attracted widespread interest in academia and industry. Supercapacitors under the action of external force will inevitably cause structural changes, performance degradation and even loss of energy storage and supply functionalities. As the most abundant renewable resource so far, biomass is an important energy source for human survival and development. Most electrode materials for supercapacitors are porous activated carbons, which can be derived from abundant renewable biomass, contributing to the sustainable development of society and environmental protection. This thesis …

The Development Of Structural Hollow Carbon Fibers From A Multifilament Segmented Arc Spinneret: Precursors, Oxidation, And Carbonization, Elizabeth Ashley Morris

Theses and Dissertations--Chemical and Materials Engineering

Carbon fiber is an ideal material for structural applications requiring high strength and stiffness and low weight. Yet it has seen only incremental improvements in properties over the last few decades. Carbon fibers remain limited in attaining their theoretical tensile strength and modulus, largely due to defects in their structure, some of which stem from the fiber production process itself. Through the mitigation of defect formation as well as approaches to decrease fiber linear density, it is hypothesized that carbon fiber with enhanced specific properties, including specific strength and modulus, could be produced which would significantly propel its unique capabilities. …

Tailoring Thermoresponsive Poly(N-Isopropylacrylamide) Toward Sensing Perfluoroalkyl Acids, Dustin Thomas Savage

Theses and Dissertations--Chemical and Materials Engineering

Widespread distribution of poly- and perfluoroalkyl substances (PFAS) in the environment combined with concerns for their potentially negative health effects has motivated regulators to establish strict standards for their surveillance. The United States Environmental Protection Agency issued a cumulative domestic threshold of 70 ppt for water supplies, and this bar is even lower in some local districts and other countries. Monitoring PFAS consequently requires sensitive analytical equipment to meet regulatory specifications, and liquid chromatography with tandem mass spectroscopy (LC/MS/MS) is the most common technique used to satisfy these requirements. Though extremely sensitive, the instrument is often burdened by pretreatment regimens, …

Review Of Γ’ Rafting Behavior In Nickel-Based Superalloys: Crystal Plasticity And Phase-Field Simulation, Zhiyuan Yu, Xinmei Wang, Fuqian Yang, Zhufeng Yue, James C. M. Li

Chemical and Materials Engineering Faculty Publications

Rafting is an important phenomenon of the microstructure evolution in nickel-based single crystal superalloys at elevated temperature. Understanding the rafting mechanism and its effect on the microstructure evolution is of great importance in determining the structural stability and applications of the single crystal superalloys. Phase-field method, which is an excellent tool to analyze the microstructure evolution at mesoscale, has been gradually used to investigate the rafting behavior. In this work, we review the crystal plasticity theory and phase-field method and discuss the application of the crystal plasticity theory and phase-field method in the analysis of the creep deformation and microstructure …

Laser Powder Bed Fusion Of Nitihf High-Temperature Shape Memory Alloy: Effect Of Process Parameters On The Thermomechanical Behavior, Mohammadreza Nematollahi, Guher P. Toker, Keyvan Safaei, Alejandro Hinojos, S. Ehsan Saghaian, Othmane Benafan, Michael J. Mills, Haluk E. Karaca, Mohammad Elahinia

Mechanical Engineering Faculty Publications

Laser powder bed fusion has been widely investigated for shape memory alloys, primarily NiTi alloys, with the goal of tailoring microstructures and producing complex geometries. However, processing high temperature shape memory alloys (HTSMAs) remains unknown. In our previous study, we showed that it is possible to manufacture NiTiHf HTSMA, as one of the most viable alloys in the aerospace industry, using SLM and investigated the effect of parameters on defect formation. The current study elucidates the effect of process parameters (PPs) on the functionality of this alloy. Shape memory properties and the microstructure of additively manufactured Ni-rich NiTiHf alloys were …

Desorption From Hot Scandate Cathodes: Effects On Vacuum Device Interior Surfaces After Long-Term Operation, Mujan N. Seif, Thomas John Balk, Matthew J. Beck

Chemical and Materials Engineering Faculty Publications

Scandate cathodes have exhibited superior emission properties compared to current state-of-the-art “M-type” thermionic cathodes. However, their integration into vacuum devices is limited in part by a lack of knowledge regarding their functional lifespan and behavior during operation. Here, we consider thermal desorption from scandate cathodes by examining the distribution of material deposited on interior surfaces of a sealed vacuum device after ~26,000 h of cathode operation. XPS, EDS, and TEM analyses indicate that on the order of 1 wt.% of the initial impregnate is desorbed during a cathode’s lifetime, Ca does not desorb uniformly with time, and little to no …