Materials Science and Engineering Commons^™

A Deep Learning Approach To Design And Discover Sustainable Cementitious Binders: Strategies To Learn From Small Databases And Develop Closed-Form Analytical Models, Taihao Han, Sai Akshay Ponduru, Rachel Cook, Jie Huang, Gaurav Sant, Aditya Kumar

Electrical and Computer Engineering Faculty Research & Creative Works

To reduce the energy-intensity and carbon footprint of Portland cement (PC), the prevailing practice embraced by concrete technologists is to partially replace the PC in concrete with supplementary cementitious materials [SCMs: geological materials (e.g., limestone); industrial by-products (e.g., fly ash); and processed materials (e.g., calcined clay)]. Chemistry and content of the SCM profoundly affect PC hydration kinetics; which, in turn, dictates the evolutions of microstructure and properties of the [PC + SCM] binder. Owing to the substantial diversity in SCMs' compositions–plus the massive combinatorial spaces, and the highly nonlinear and mutually-interacting processes that arise from SCM-PC interactions–state-of-the-art computational models are …

A Deep Learning Approach To Design And Discover Sustainable Cementitious Binders: Strategies To Learn From Small Databases And Develop Closed-Form Analytical Models, Taihao Han, Sai Akshay Ponduru, Rachel Cook, Jie Huang, Gaurav Sant, Aditya Kumar

Electrical and Computer Engineering Faculty Research & Creative Works

To reduce the energy-intensity and carbon footprint of Portland cement (PC), the prevailing practice embraced by concrete technologists is to partially replace the PC in concrete with supplementary cementitious materials [SCMs: geological materials (e.g., limestone); industrial by-products (e.g., fly ash); and processed materials (e.g., calcined clay)]. Chemistry and content of the SCM profoundly affect PC hydration kinetics; which, in turn, dictates the evolutions of microstructure and properties of the [PC + SCM] binder. Owing to the substantial diversity in SCMs' compositions-plus the massive combinatorial spaces, and the highly nonlinear and mutually-interacting processes that arise from SCM-PC interactions-state-of-the-art computational models are …

Modeling Isothermal Reduction Of Iron Ore Pellet Using Finite Element Analysis Method: Experiments & Validation, Amogh Meshram, Joe Govro, Ronald J. O'Malley, Seetharaman Sridhar, Yuri Korobeinikov

PSMRC Faculty Research

Iron ore pellet reduction experiments were performed with pure hydrogen (H₂) and mixtures with carbon monoxide (CO) at different ratios. For direct reduction processes that switch dynamically between reformed natural gas and hydrogen as the reductant, it is important to understand the effects of the transition on the oxide reduction kinetics to optimize the residence time of iron ore pellets in a shaft reactor. Hence, the reduction rates were studied by varying experimental parameters such as the temperature (800, 850 & 900 degrees C), reactant gas flow rate (100, 150 & 200 cm³/min), pellet size and …

Effects Of Vacancies And Electron Temperature On The Electron Phonon Coupling In Cubic Silicon Carbide And Their Connection To The Inelastic Thermal Spike, Salah Al-Smairat

Doctoral Dissertations

“The electron-phonon interaction is an important interaction in many solids as it influences transport phenomena and related quantities such as the electrical and thermal conductivities, especially in nuclear and space applications. The importance of the electron-phonon interaction in primary damage production in 3C-SiC is the subject of this research.

The electron-phonon coupling factor was calculated using a hybrid Density Functional Perturbation Theory - Classical Electron Gas model. The coupling factor was calculated as a function of electron temperature in pristine and defective 3C-SiC, and relaxed defective cells. The electron-phonon coupling is found to depend strongly on the electronic temperature and …

Corrosion Protection Mechanisms Of Trivalent Chromium Based Passivations On Γ-Znni Coated Al6061-T6 Alloy, Kevin Foster

Doctoral Dissertations

“The role of cobalt in trivalent chromium passivations (TCPs) to improve corrosion resistance of γ-ZnNi coated steel and aluminum is based on its effect on hexavalent chromium content in the passive layer. Investigations of both a cobalt-containing and cobalt-free TCP on SAE 1008 steel indicated that both passivations protect well for up to 1000 hours in neutral salt spray exposure (SSE). A repetition on Al 6061-T6 alloy indicated that TCP performed much better than cobalt-free TCP implicating the underlying substrate. Optical and electron micrographs indicated physical changes such as crack thickness, crack density, passivation porosity, and passivation thickness existed between …

Mechanical Properties Of Boride Based Ceramics, Alec Murchie

Doctoral Dissertations

“This research focuses on the elevated mechanical properties of diboride based materials at room and elevated temperatures. These materials include a ZrB₂ ceramic, a ZrB₂-WC-SiC ceramic, and a (Hf,Mo,Nb,Ta,W,Zr)B₂ high entropy boride (HEB). The room temperature flexural strength for the ZrB₂ ceramic was 447 MPa and the fracture toughness was 2.3 MPa·m^1/2. The strength decreased to 196 MPa at 1800°C, and then increased to 360 MPa at 2300°C. The fracture toughness increased to 3.1 MPa·m^1/2 at 2200°C. The strength up to 1800°C was likely controlled by a combination of effects: surface damage …

Investigation Of The Thermodynamics Of Iron Phosphate Melts And Stability Of Iron Phosphate Glasses: Effects Of Composition And Iron Redox Ratio, Melodie Linda Schmitt

Doctoral Dissertations

“Iron phosphate glasses with Fe/P = 0.33 - 0.67, O/P = 3.0 - 3.5 and Fe²⁺/ΣFe = 0.16- 0.52 were prepared by altering batch compositions and melt conditions. Thermal analyses indicate polyphosphate glasses with intermediate chain lengths are most stable against devitrification. Heterogeneous crystallization occurs on the glass surface and is dependent on iron valence state, particle size, heating rate, temperature and oxygen availability in the atmosphere. Oxidation of ferrous iron on the glass surface occurs at temperatures as low as Tg, and thus crystallization behavior and stability can be altered via post-melt heat treatments. A novel preparation …

Bulk Nanostructured Steels For Nuclear Reactor And Extreme Environment Applications, Maalavan Arivu

Doctoral Dissertations

"Candidate accident tolerant FeCrAl fuel (ATF) claddings for light water reactors (LWRs) need to be thinner than current Zircaloys owing to higher neutronic penalty, demanding an improvement in strength. Therefore, equal channel angular pressing (ECAP), and high-pressure torsion (HPT) were used to produce bulk ultra-fine grained and nanocrystalline Kanthal-D [KD; Fe-21Cr-5Al-0.026C (wt.%) alloy] which resulted in an improvement in strength of up to 3 times their nominal strength from grain boundary strengthening, and dislocation strengthening. Dynamic recovery was promoted due to ECAP at 520 oC rendering it with a large area fraction of less mobile low angle grain boundaries (LAGBs) …

Joining Of Ultra-High Temperature Ceramics To The Same And Refractory Metals Via Fusion Welding, Jecee Jarman

Doctoral Dissertations

"This research focuses on the joining of ultra-high temperature ceramics to either themselves or refractory metals/alloys via fusion welding and the mechanical strength of produced joints. The ceramics studied consisted of compositions within a diboride-carbide-carbide ternary system while metals studied consisted of molybdenum and a molybdenum alloy. SiC-ZrB2-ZrC ceramics on a binary join between pure SiC and the ternary eutectic composition were found to be weldable when SiC content was below ~57.5 vol%. Compositions above 57.5 vol% SiC were unweldable based on pitting and off-gassing behavior. Welded strength of ceramics was ~180-300 MPa in the SiC-ZrB2-ZrC ternary eutectic composition, ~180-220 …

Peritectic Behavior Detection And Prediction In Fe-C-Si-Mn-Al System, Damilola Balogun

Doctoral Dissertations

"The non-uniformity of shell growth in the continuous casting of peritectic steels constitutes a major barrier to the commercial production of many steel grades such as Advanced high strength steels (AHSS), transformation induced plasticity (TRIP) steels, abrasion-resistant steels, advanced armor plate steels, and many newly proposed steel grades that contain high levels of silicon, manganese, and aluminum.

The shell growth non-uniformity experienced in the continuous casting of peritectic steels results in the formation of defects in the as-cast slab and therefore increases the operating risk from cast aborts and breakouts. The ability to predict and avoid peritectic behavior at the …

Oxidation Of Silicon Carbide And Graphite For High Temperature Gas-Cooled Reactor Applications, Adam Thomas Bratten

Doctoral Dissertations

"This research focuses on the oxidation behavior of silicon carbide and matrix grade graphite, specifically as it pertains to accident scenarios in Gen IV thermal spectrum high temperature gas cooled nuclear reactors. It is imperative to understand the oxidation behavior of such materials to predict their response to off-normal environments and certify their accident tolerance to implement Gen IV reactors. The onset of oxidation temperature of matrix graphite was found to have a strong dependence on the microstructure, and therefore processing parameters, of the materials. The A3-3 type grade contained regions of partially graphitized carbon that were more disordered and …

Processing To Enable Direct-Write Additive Manufacturing Of Ceramics And Ceramic Composites, Austin Martin

Doctoral Dissertations

"This research focuses on the processing of novel feedstocks for and during direct-write additive manufacturing (AM), specifically the direct ink writing (DIW) and Ceramic On-Demand Extrusion (CODE) manufacturing processes, in order to produce ceramic and ceramic-based composite components. Strongly dispersed, concentrated (φ = 0.42), nanoparticle (d₅₀ ~0.3 µm), zirconia (ZrO₂) pastes were used to print densely filled, large continuous volume (≳ 1 cm³) ceramic components. An elastic shear modulus (G’) of 56,000 Pa and yield stresses between 6 and 10 Pa allowed for printed components of 34.5 mm in height over 115 layers without slumping …

Molten Steel Interactions With Tundish Linings And Refractory Glazes, Tyler Michael Richards

Doctoral Dissertations

"In the final stages of casting, molten steel is in contact with two main types of refractories: the working lining of the tundish used to serve as an intermediate vessel between the ladle and copper mold, and the various glazed carbon-bearing refractories used to control the flow of steel from the ladle to the tundish and from the tundish to the mold. If steel interacts with these refractories in such a way as to result in the formation of inclusions, it may be too late to remove them, leading to degradation of the steel’s mechanical properties. Understanding these interactions and …

Development And Application Of Ensemble Machine Learning Algorithms To Enable A Priori, High-Fidelity, And Prompt Predictions And Optimizations Of Complex Materials And Systems, Taihao Han

Doctoral Dissertations

"Complex materials consisting of multiple chemical components/phases have been widely used in different engineering applications that have strict criteria. To optimize the mixture design of complex materials, researchers invest enormous resources in cumbersome experiments. However, due to substantial variations in precursors and processing techniques, it has been challenging to develop theoretical frameworks (i.e., empirical models) that could produce reliable predictions of properties of complex materials. In recent years, scientists have harnessed the power of machine learning (ML) and “Big” data to uncover the underlying mixture design-property correlations and produce high-fidelity predictions of properties of complex materials. The ML models autonomously …

On The Effect Of Hot Rolling On Inclusion Size And Distribution In A Cast Aisi 1070 Steel Railroad Wheel, Jacob M. Summers, Soumava Chakraborty, Laura Bartlett, Ronald J. O'Malley, Mario F. Buchely, Richard Pilon

Materials Science and Engineering Faculty Research & Creative Works

The goal of this work is to examine the effect of hot deformation on shrinkage porosity and nonmetallic inclusions in an AISI 1070 grade steel industrially produced wheel casting. Steel cleanliness is an important consideration as it influences the mechanical properties of the final product. A high density of porosity and inclusions have been shown to be detrimental for mechanical properties, especially during hot rolling. Using a laboratory-scale rolling mill, cast preforms were subjected to a 66% cumulative reduction to determine the effect of thermomechanical processing on void closure and inclusions that may produce anisotropy in mechanical properties. Quantitative automated …

Zinc Plating From Alkaline Non-Cyanide Bath, Abdul J. Mohammed

Masters Theses

“Alkaline non-cyanide zinc plating baths are preferred when trying to avoid the toxicity of cyanide baths or corrosivity of acid baths. Without additives, alkaline zincate baths produce powdery non-adherent deposits which have no use in commercial plating. Additives must be added at optimum concentrations to produce adherent, bright and uniform zinc deposits. In this study electrochemical tests were used to determine effects of additives on cathodic polarization, throwing power and morphology of deposits. Current density distribution in a unique bath of 37.5 g L^-1 Zn and 210 g L^-1 NaOH was modelled using COMSOL and validated two plating …

Characterization Of Cermet Fuel For Nuclear Thermal Propulsion (Ntp), James Floyd Mudd

Masters Theses

“A manned flight to Mars is met with many technical challenges, not the least of which is the development of propulsion technology capable of moving a transit vehicle from Earth orbit to Mars orbit. NASA is investigating Nuclear Thermal Propulsion (NTP) as a way of reducing flight time and providing the option for a mid-mission abort. NTP, which uses a high temperature nuclear reactor to heat a propellant, requires advanced fuel materials capable of withstanding temperatures well in excess of 2000 K. Among the fuel options are ceramic metal (cermet) composites composed of refractory metals and Ultra-High Temperature Ceramics (UHTCs). …

Controlling Microalloy Interactions On Precipitation, Hot Ductility, And Microstructure -- Mechanical Property Relationships, Madhuri Varadarajan

Masters Theses

“One of the main problems faced in the continuous casting of micro-alloy steels is the formation of transverse cracks. Transverse cracks are surface, or near-surface cracks formed perpendicular to the casting direction. The research focuses on using laboratory hot tensile tests methods to determine the low ductility ranges in high strength steel grades with different micro-alloy additions of titanium, niobium, and vanadium. The hot ductility of commercially produced as-cast slab and beam blank samples was evaluated using two experimental methods: tensile testing utilizing a servo-hydraulic load frame with a resistance furnace and thermomechanical testing using rapid Joule heating. The tests …

Additive Manufacturing Of Continuous Carbon Fiber-Reinforced Sic Ceramic Composite With Multiple Fiber Bundles By An Extrusion-Based Technique, Ruoyu Chen, Adam Bratten, Joshua Rittenhouse, Ming-Chuan Leu, Haiming Wen

Mechanical and Aerospace Engineering Faculty Research & Creative Works

Due to the high cost, complex preparation process and difficulty in structural design, the traditional methods for carbon fiber reinforced SiC ceramic composite preparation have great limitations. This paper presents a technique for the additive manufacturing multiple continuous carbon fiber bundle-reinforced SiC ceramic composite with core-shell structure using an extrusion-based technique. A conventional nozzle system was modified to print simultaneously a water based SiC paste with continuous carbon fibers. Different levels of binder contents were investigated to optimize the stickiness, viscosity, thixotropy and viscoelasticity of the paste. After sintering, SiC whiskers were generated on the surface of fiber, which is …

Scale Formation, Properties And De-Scaling In Steelmaking, Richard Osei

Doctoral Dissertations

During continuous castings, reheating, and hot rolling, slab surfaces are exposed to atmospheres containing oxidizing gases which results in scale formation. Inefficient removal of the formed scale during reheating affects product surface quality. The effect of steel composition and operating parameters on scale formation and scale removal efficiencies were investigated. Experimental investigations were carried out using a thermogravimetric (TGA) apparatus designed to replicate the combustion gas atmosphere and temperature in actual industrial slab reheat furnaces. Report on oxidation kinetics, scale structure and properties, and descaling were conducted on laboratory cast and industrial samples. Different characterization techniques were used to analyze …

Fundamental Effects Of Al And Ta On Microstructure And Phase Transformations In The Al–Cr–Mo–Ta–Ti Refractory Complex Concentrated Alloy System, Austin E. Mann, Joseph William Newkirk

Materials Science and Engineering Faculty Research & Creative Works

The effect of aluminum and tantalum concentrations on a refractory metal complex concentrated alloy is reported, particularly with respect to their effect on microstructure and phase composition of the alloy in cast and annealed form. Alloys with an equiatomic composition, (AlCrMoTaTi), an aluminum-lean composition (Al0.75CrMoTaTi), and a tantalum-lean composition (AlCrMoTa0.75Ti) are produced via arc melting. The alloys exhibit multiphase structures, confirmed by X-ray diffraction, microstructural characterization, and thermal analysis. The minor off-equiatomic adjustments of aluminum and tantalum in this alloy system did not drastically alter the prevalence of the Cr–Ta-based Laves phase. Correlations between thermodynamic predictions and observed phase transformations …

The Effects Of Mixing Multi-Component Hlw Glasses On Spinel Crystal Size, C. (Charmayne) E. Lonergan, J. Rice, C. Skidmore, M. J. Schweiger, P. Hrma

Materials Science and Engineering Faculty Research & Creative Works

The Hanford Waste Treatment and Immobilization Plant will vitrify radioactive waste into borosilicate glass. The high-level waste (HLW) glass formulations are constrained by processing and property requirements, including restrictions aimed at avoiding detrimental impacts of spinel crystallization in the melter. To understand the impact of glass chemistry on crystallization, two HLW glasses precipitating small (∼5 μm) spinel crystals were individually mixed and melted with a glass that precipitated large (∼45 μm) spinel crystals in ratios of 25, 50, and 75 wt.%. The size of spinel crystals in the mixed glasses varied from 5 to 20 μm. Small crystal size was …

Plasma Spheroidization Of Gas-Atomized 304l Stainless Steel Powder For Laser Powder Bed Fusion Process, M. Hossein Sehhat, Austin T. Sutton, Chia-Hung Hung, Ben Brown, Ronald J. O'Malley, Jonghyun Park, Ming-Chuan Leu

PSMRC Faculty Research

Particles of AISI 304L stainless steel powder were spheroidized by the induction plasma spheroidization process (TekSphero-15 spheroidization system) to assess the effects of the spheroidization process on powder and part properties. The morphology of both as-received and spheroidized powders was characterized by measuring particle size and shape distribution. The chemistry of powders was studied using inductively coupled plasma optical emission spectroscopy for evaluation of composing elements, and the powder’s microstructure was assessed by X-ray diffraction for phase identification and by electron backscattered diffraction patterns for crystallography characterization. The Revolution Powder Analyzer was used to quantify powder flowability. The mechanical properties …

The Role Of Microstructure On High-Temperature Oxidation Behavior Of Hafnium Carbide, Jonathan A. Scott, Xiaoqing He, David W. Lipke

Materials Science and Engineering Faculty Research & Creative Works

Microstructure development of the products formed upon oxidation of hafnium carbide (HfCx, x = 0.65, 0.81, or 0.94) at 1300°C and 0.8 mbar oxygen pressure was investigated using Raman spectroscopy, X-ray diffraction, electron microscopy, and electron energy-loss spectroscopy. For all specimens a multilayered oxide scale was observed featuring an outermost porous hafnia layer and an interlayer adjacent to the parent carbide containing hafnia interspersed with carbon. The outermost hafnia features coarse pores presumably formed during initial stages of oxidation to allow rapidly evolving gaseous products to escape from the oxidation front. As the oxidation scale thickens, diffusional resistance results in …

Effect Of Spallation On Oxidation Kinetics Of Heat-Resistant Cr–Ni Austenitic Steels On Air And Combustion Atmosphere, Simon N. Lekakh, Oleg Neroslavsky, Mei Li, Larry Godlewski, Wenhui Zhu

Materials Science and Engineering Faculty Research & Creative Works

Thin-walled castings made from Cr–Ni austenitic steels offer a combination of light weight of a near-net component with significant high temperature corrosion protection by forming a surface oxide layer. However, above critical service conditions (temperature, atmosphere, thermal cycling), oxidized surface can result in intensive surface degradation due to scale spallation. Scale spallation can decrease the wall thickness which could be detrimental to the in-service life of thin-walled castings. Experiments and stochastic simulations of spallation assisted oxidation were performed with three cast austenitic heat-resistant steels having different Cr–Ni concentrations at temperatures between 900 and 1000 ℃ on air and water vapor …

Re-Crosslinking Particle Gel For Co2 Compliance Control And Co2 Filtration Blocking, Yifu Long, Baojun Bai, Thomas P. Schuman

Patents

The present invention generally relates to the composition of particle gels for CO2 - EOR and CO2 storage . More particularly , CO2 resistant particle gels are provided that can re - crosslink at subterranean conditions . These particle gels can be deployed to improve the conformance of CO , flooding , CO , huff - puff , or Water - Alternative - Gas ( WAG ) . The applications may also involve CO2 storage , such as the blocking of CO2 leakage and similar CO2 processing .

Hot Rolled Light-Gauge Martensitic Steel Sheet And Method For Making The Same, James W. Watson, Paul Kelly, David C. Van Aken, Christopher Ronald Killmore

Patents

A hot rolled light - gauge martensitic steel sheet made by the steps comprising : ( a ) preparing a molten steel melt comprising : ( i ) by weight , between 0.20 % and 0.35 % carbon , less than 1.0 % chromium , between 0.7 % and 2.0 % manganese , between 0.10 % and 0.50% silicon , between 0.1 % and 1.0 % copper , less than 0.05 % niobium , less than 0.5 % molybdenum , and silicon killed containing less than 0.01 % aluminum , and ( ii ) the remainder iron and impurities result …

Fiber Assisted Re-Cross-Linkable Polymer Gel And Preformed Particle Gels For Fluid Loss And Conformance Control, Baojun Bai, Ze Wang, Zhe Sun, Jingyang Pu, Thomas P. Schuman

Patents

Described herein are compositions useful for controlling fluid flow, for example in a target zone of a subterranean environment, and methods of forming and using the same. The composition generally comprises a quantity of fibers and a quantity of swellable particles, which may be dispersed in a carrier fluid. The composition may be synthesized in the form of a bulk gel or may be gelatinated during use. The fibers in the compositions provide improved performance as compared to prior PPG and RPPG particle containing compositions. Specifically, the compositions reinforce the re-cross-linked/re-associated hydrogel plug in underground features and support proper rehydration …

Aluminum-Free Steel Alloys And Methods For Making The Same, Daniel Morye Field, David C. Van Aken

Patents

Disclosed herein are TRIP (transformation induced plasticity) steel alloy thin metal strips or, stated differently, high strength, high ductility steel alloy thin metal strips formed of a composition described herein, being substantially free or free of aluminum. In being substantially free, the aluminum content is equal to or less than 0.01 % by weight.

Liquid Core Detection And Strand Condition Monitoring In A Continuous Caster Using Optical Fiber, Deva Prasaad Neelakandan, Dinesh Reddy Alla, Jie Huang, Ronald J. O'Malley

PSMRC Faculty Research

Real-time monitoring of the liquid core position during the continuous casting of steel has been demonstrated using low-cost distributed optical-fiber-based strain sensors. These sensors were installed on the containment roll support structures in the segments of a production continuous caster to detect the position of the solid–liquid interface and monitor the strand condition during the continuous casting. Distributed Fiber Bragg Grating sensors (FBGs) were used in this work to monitor strain at six roll positions in the caster. The sensor performance was first validated by comparing optical strain measurements with conventional strain gauge measurements in the lab. Next, optical strain …