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Title: MICROSTRUCTURE EVOLUTION OF TWO KINDS OF HIGH-TEMPERATURE RESISTANCE FE-CR-NI ALLOYS
Creator: Pan, Weiqi
Date: 2019
Description: In this research, two different as-cast Fe-Cr-Ni alloys (35Cr-45Ni, 25Cr-35Ni) were aged at different times (1h, 10h, 100h, 1000h) and...
Show moreIn this research, two different as-cast Fe-Cr-Ni alloys (35Cr-45Ni, 25Cr-35Ni) were aged at different times (1h, 10h, 100h, 1000h) and temperature (700℃, 800℃, 900℃, 1000℃). These different aged alloys were studied by optical microscope, scanning electron microscope (SEM), Energy-dispersive spectroscopy (EDS), X-ray diffractometer, micro Vickers hardness tester. The aged sample showed a higher hardness than the as-cast one. The hardness also changed as time and temperature increased because diffusion result on phase transformation and precipitation. Both as-cast 35Cr-45Ni and 25Cr-35Ni have MC (NbC) and M7C3 (Cr7C3) phase transformation during aging. The long term high-temperature aging caused changes carbides and silicide phase. For both alloys during aging, MC carbides transformed to G-phase, and Cr7C3 transformed to Cr23C6.
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Title: FRANK-KASPER PHASES IN THE CO-NB-NI TERNARY SYSTEM AND THE ISOTHERMAL SECTION OF THE CO-NB-NI SYSTEM AT 1473K
Creator: Jia, Hui
Date: 2019
Description: The present study is to determine the Frank-Kasper phases in the Co-Nb-Ni system. Frank-Kasper phases, also called topological close packed ...
Show moreThe present study is to determine the Frank-Kasper phases in the Co-Nb-Ni system. Frank-Kasper phases, also called topological close packed (TCP) phases are one of the largest groups of intermetallic compounds. They are classified into several phases: A15, Laves, σ, µ and the M, P, R phases. In the 1200°C-isothermal section of the Co-Nb-Ni system, the µ phase and Laves phases exist over large composition ranges. In this study, the Co-Nb-Ni ternary system was investigated using optical microscopy(OM), X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS) and differential scanning calorimetry (DSC). The experimental results were compared with literature data and thermodynamic calculations. XRD was used to identify the Frank-Kasper phases. In comparison with previous investigations, the large extensition of µ phase in the Co-Nb-Ni system was verified. In addition, the small phase (~67at. % Nb) shown in the alloys with ~50at. % Nb is the unstablized impurity phase. On the other hand, according to the results of experiments and thermo-calc, C15 phase was found instead of C14 phase compared with Gupta's study.
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Title: STRUCTURAL DEFECT CONTROL TO IMPROVE SOLID-STATE REACTION AND ELECTROCHEMICAL PERFORMANCE OF NaCrO2 CATHODE FOR SODIUM-ION BATTERIES
Creator: Luo, Mei
Date: 2018
Description: NaCrO2 has been studied lately as a promising cathode material for Na-ion batteries. Consequently, this study was conducted to investigate how...
Show moreNaCrO2 has been studied lately as a promising cathode material for Na-ion batteries. Consequently, this study was conducted to investigate how high-energy ball milling before the high temperature reaction influences the synthesis reaction and electrochemical performance of NaCrO2 cathodes for Na-ion batteries. In-situ synchrotron X-ray diffractometry is employed for the first time to provide a comprehensive understanding of the critical reaction temperatures and reaction pathway. It is found that high-energy ball milling at room temperature can result in significant changes in the synthesis reaction of NaCrO2 when compared to reactants without high-energy ball milling. These changes include a decreased onset temperature for the formation of O3-NaCrO2, an increased reaction kinetics, an alternation of the reaction pathway, and a complete reaction at 900℃ to form thermally-stable O3-NaCrO2 phase. In contrast, without high-energy ball milling the reaction product at 900℃ is a highly impure NaCrO2 with a poor thermal stability. Equally important, it is found that mechanical activation enhances the bulk ionic conductivity as well as the conductivity at the interface of NaCrO2 particles; moreover, high-energy ball milling before reaction can lead to higher specific discharge capacities of NaCrO2 half cells and contribute to the best capacity retention over 50 cycles among all the reported NaCrO2 without coatings. All these improvements of NaCrO2 cathodes for Na-ion batteries are ascribed to the mechanical activation induced by high-energy ball milling before high temperature reaction.
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Title: Enhancing Charge/Discharge Cycle Stability of NaCrO2 Cathode for Na-ion Batteries via Carbon Coatings
Creator: Shi, Zhepu
Date: 2018
Description: In this study, we report the effects of carbon coating on the electrochemical cycle stability of Na-ion batteries made of NaCrO2 cathodes....
Show moreIn this study, we report the effects of carbon coating on the electrochemical cycle stability of Na-ion batteries made of NaCrO2 cathodes. Various coating approaches and conditions have been investigated for 10-h high energy ball milled NaCrO2. It is shown that mixing the carbon source with NaCrO2 particles before the high-temperature carbonization reaction is a critical step. The solution-based mixing of the carbon source with NaCrO2 leads to the best carbon coating uniformity. Furthermore, carbonization treatment should be limited to 10 min at 650 ℃ in order to prevent the reaction between carbon and NaCrO2 to form chromium carbides. Uniform carbon coating can improve the capacity retention of NaCrO2 over charge/discharge cycles and the best capacity retention achieved in this study is 70% after 50 cycles. Furthermore, once the coating is uniformly distributed, NaCrO2 exhibits a very high specific capacity (140 mAh/g) which is significantly higher than the typical value of 110 mAh/g reported in the literature. The unusually high specific capacity observed is attributed to the enhancement of Na-ion intercalation and de-intercalation rates at the electrode/electrolyte interface because of the presence of the carbon coating.
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Title: Effects of the Silicon Content on the Dimensional Changes of Electrodes for Lithium-ion Cells: An Electrochemical Dilatometry Study
Creator: Rodrigues Prado, Andressa Yasmim
Date: 2021
Description: The continuous growth of the electric vehicle market has significantly increased the demand for Li-ion batteries (LIBs). However, state-of-the...
Show moreThe continuous growth of the electric vehicle market has significantly increased the demand for Li-ion batteries (LIBs). However, state-of-the-art LIBs are not yet able to meet the EV industry demand for high energy density and long cycle life rechargeable batteries, prompting efforts to improve the performance of Li-ion cells. In this context, silicon became the most promising next-generation active material for LIBs negative electrodes, especially because Si can significantly increase the lithium storage capacity of the commonly available anodes. Nonetheless, commercialization of Si-based electrodes has been hindered by the poor electrochemical performance of these electrodes, which is mainly attributed to the severe volumetric changes in the silicon particles related to the electrochemical reactions with Li. Since the electrodes are composites with a complex combination of various materials interspaced by pores, the electrode-level swelling may differ significantly from the particle-scale expansion. Furthermore, an increase in electrode thickness due to silicon expansion can have a direct effect on how Li-ion cells are designed, as the accommodation of electrode dilation requires additional cell space to prevent significant dynamic stresses. Thus, the actual volumetric energy density of a LIB cell depends on the electrode swelling, since the higher the magnitude of the electrode expansion, the lower the gains in energy density. Monitoring the electrode dilation is just as important as the electrochemical evaluation when designing cells with Si-based anodes.In this work, we use high-resolution operando electrochemical dilatometry to quantify the (de)lithiation-induced expansion/contraction of silicon, blended silicon-graphite and graphite electrodes, upon electrochemical cycling. We evaluate the relationship between electrode capacity and dilation and observe that while the lithiation capacity improved with increasing the silicon content, the electrode swelling is highly aggravated. For silicon-rich anodes, the electrode dilation can be higher than 300%, and the expansion profile consists of a combination of slow swelling at low levels of lithiation followed by an accelerated increase at higher lithium contents. This non-linear dilation allows for narrowing the swelling by limiting the electrode capacity. In addition, we investigate how electrode properties, such as porosity, affect the dilation profile, and quantify the irreversible expansion of the electrodes. Finally, we discuss some of the challenges associated with the dilatometry technique and suggest experimental approaches for obtaining consistent and reliable data.
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Title: Understanding the effect of temperature, strain and grain size on the stress relaxation behavior of Ni-base and steel alloys
Creator: Reny, Julia
Date: 2021
Description: Stress relaxation research is very valuable as it provides information on how materials relieve stress under a constant strain. In...
Show moreStress relaxation research is very valuable as it provides information on how materials relieve stress under a constant strain. In applications where parts are submitted to a constant deformation, it is important to know that regions containing notches or stress concentrations will be able to relax enough to avoid the formation of cracks during operations. In this study, the stress relaxation behaviors of experimental Ni-base superalloy RRHT5 and Pyrowear 53 steel alloy were investigated. Tests were conducted under different conditions, varying temperature, initial strain, and grain size to explore the influence of each of these factors. The stress relaxation test data was used to calculate apparent activation volumes which can be correlated with plastic deformation mechanisms governing the stress relaxation. Understanding these mechanisms and identifying how specific factors influence them is essential to further control and optimize the design and processing of materials to obtain the best properties. Depending on the test conditions, the stress relaxation underwent one or two stages dominated by different mechanisms. These governing mechanisms were considered to be either dislocation-dislocation interactions, dislocation rearrangement, dislocations spreading from localized slip bands or dislocation-precipitate interactions.
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Title: PREPARATION OF MG3SB2-XBIX THERMOELECTRIC MATERIAL AND THEIR LASER SINTERING BEHAVIOR
Creator: Xiao, Xudong
Date: 2020
Description: In the introduction part, a novel thermoelectric material, Zintl compounds were introduced due to its potential high thermoelectric...
Show moreIn the introduction part, a novel thermoelectric material, Zintl compounds were introduced due to its potential high thermoelectric performance in low-temperature applications as thermoelectric devices. Recent researches focused on Mg3Sb2-based Zintl Compounds was summarized in this article, and the general methods and its limitations to fabricate Mg3Sb2-based thermoelectric modules were introduced. Thus, a novel selective laser melting process was introduced, and it has enormous potential to fabricate Mg3Sb2-based thermoelectric modules in commercial applications. What’s more, the challenges of selective laser melting method were also discussed in the articles. For developing selective laser melting as the mature method to fabricate Mg3Sb2-based thermoelectric modules, many works and researches need to be done. In my project, the powder of Mg3.1(Sb0.3Bi0.7)1.99Te0.01 thermoelectric material was synthesized by using the mechanical alloying process and the proper particle size and distribution of powder using for selective laser melting was obtained by increasing the time of mechanical alloying. The thermoelectric properties of the powder prepared by mechanical alloying were measured, and it shows the powder still in a good performance after a long-time mechanical alloying particle reduction process. Finally, the obtained powder was treated by different parameters of continued wave fiber laser. The morphology and composition of the sintered area were analyzed to better understanding the process of laser sintering. More work needs to be done for using a selective laser melting method to fabricate Mg3Sb2-based thermoelectric modules in the future.
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Title: HIGH-THROUGHPUT FIRST-PRINCIPLES STUDY ON HIGH-ENTROPY ALLOYS
Creator: Zhang, Jie
Date: 2021
Description: This research thesis discusses the current ecosystem surrounding a new type of alloy: high entropy alloys (HEA) or multi-element crystalline...
Show moreThis research thesis discusses the current ecosystem surrounding a new type of alloy: high entropy alloys (HEA) or multi-element crystalline materials and lays out the high-throughput first-principles calculation as a valuable approach to study these materials. The density function theory (DFT) from computational material science prospect was implemented to investigate the HEAs. Using EMTO-CPA algorithm, high-throughput DFT calculations were conducted. A total of 1958 HEA systems including equimolar and non-equimolar systems were studied with respect to the varies properties, including lattice parameters, bulk moduli, elastic constants, and elastic anisotropy. The first-principles HEA dataset was employed as the training set for the DeepSets a machine learning model. DeepSets, in combination with EMTO-CPA high-throughput calculation, successfully predicted the mechanical properties of specific HEA composition. This paves a promising new path of designing, investigating, and validating the HEA system compared to the time-consuming conventional HEA design method. The doping effect of Vanadium (V) and Titanium (Ti) to NbMoTaW HEA, as well as V or Ti as the fifth element with different molar fraction to the NbMoTaW HEA system, were studied. The phase stability of the new systems was discussed and concluded that all proposed systems tend to form single-phase solid solution. Though the addiction of V only slightly enhances the system’s ductility, the addition of Ti not only enhances the quinary system NbMoTaWTiX (X =0.25, 0.5,0.75, 1.0) ductility, but enables the system to be closer to fully isotropic.
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Title: Functionalized 2D Materials as Enablers of High Energy and High Power Energy Storage Devices
Creator: Radhakrishnan, Sivaviswa
Date: 2023
Description: The present Thesis concerns with the synthesis of novel functionalized 2D materials for applications as cathodes in lithium-ion batteries. It...
Show moreThe present Thesis concerns with the synthesis of novel functionalized 2D materials for applications as cathodes in lithium-ion batteries. It further concerns with the role of porosity in these novel cathode materials to achieve simultaneously high energy and power density. Examples of the novel cathode materials synthesized here include several functionalized hexagonal boron nitride (hBN) and graphene (G) species. hBN was functionalized with Li₂C₂O₄, LiBF₄, -OBF₂ groups, NOBF₄, etc. The color of the functionalized hBN species ranges from white through brown to black indicating drastic changes in the band structure of hBN due to functionalization. Functionalized G species include Li₂C₂O₄ and -OBF₃ functionalized ones. Preliminary electrochemical tests were carried out for an initial assessment of the properties of these materials. Additionally, the role of the DOL solvent was also investigated in high power CFx batteries
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Title: A Functionalized 2D Boron Nitride Electrode for Rechargeable Batteries
Creator: Tatagari, Vignyatha Reddy
Date: 2021
Description: Motivated by the great performance of the graphene oxide battery and its poor safety, in the present work, an attempt is made to fabricate an...
Show moreMotivated by the great performance of the graphene oxide battery and its poor safety, in the present work, an attempt is made to fabricate an alternative battery from functionalized 2-dimensional (2D) boron nitride. The expectation is that functionalized boron nitride can exhibit the same great electrochemical performance as graphene oxide while it would be much more thermally stable. Toward this goal, synthetic opportunities were explored to realize -OBF3 functionalized hexagonal boron nitride. Both top-down and bottom-up synthetic approaches were considered and implemented. In the top-down methods, commercially available bulk hexagonal boron nitride (h-BN) is reacted with functionalization agents such as LiOBF3 and LiOH.BF3. Synthesis of these functionalization agents and their reactions with h-BN were carried out in several different ways. Bottom-up synthetic approach using Boric Acid and Urea was utilized to synthesize turbostratic boron nitride (t-BN), which is an intermedier in the commercial synthesis of hexagonal boron nitride. Turbostratic boron nitride contains exfoliated and -OH functionalized monolayers of boron nitride. An attempt is made to esterify the -OH groups of turbostratic boron nitride to obtain the desired -OBF3 functionalized monolayers of h-BN. Initial electrochemical tests on turbostratic boron nitride and its esterified form are carried out along with ionic conductivity measurements. Only a very limited electrochemical activity was observed due to a low degree of functionalization in these materials, indicating the need for improved synthetic procedures to achieve the desired target materials.
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Title: High Energy High Power Primary Lithium Batteries with Graphite Fluoride and Functionalized Boron Nitride Cathodes
Creator: Huo, Haobin
Date: 2022
Description: The present Thesis concerns with the creation of high energy and high power batteries through the utilization of functionalized 2D materials...
Show moreThe present Thesis concerns with the creation of high energy and high power batteries through the utilization of functionalized 2D materials such as graphite fluoride (CFx) and functionalized boron nitride (FBN). The recent literature of Li-CFx batteries brings forward several methods to fabricate high energy and high power batteries. These methods include nano-architecture and porosity design, boron doping, electrolyte additives etc. The resulting batteries are capable to achieve 800-1000 Wh/kg energy density at a power density of 60-70 kW/kg. Our method is capable to achieve the same performance in a much simpler way by the application of a binder that also functions as an effective inhibitor of the growth of LiF crystals. Since LiF is the discharge product of Li-CFx batteries, it typically clogs the pores of the cathode and avoids fast discharge. Methods that increase the power density of Li-CFx batteries typically focus on the amorphization/dissolution of LiF to allow for a fast Li ion diffusion. Our solution using the effective binder appears to be well suited for a scalable production of high energy and high power Li-CFx batteries through a very small modification of existing production lines. Such high energy and high power batteries are needed for the electrification of aircraft such as unmanned aerial vehicles (UAVs), vertical take-off and landing planes (VTOLs), passenger airplanes and pulsed power sources. While Li-CFx batteries are not rechargeable this is not a problem for the above mentioned applications as current rechargeable batteries cannot provide the required energy and power densities.Li-FBN batteries may provide a rechargeable alternative to Li-CFx when fully developed. In the present thesis, we have demonstrated Li-FBN batteries with similar discharge plateaus and approximately half the capacity of Li-CFx batteries. Our Li-FBN batteries are also rechargeable to a much greater extent than Li-CFx.
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Title: Effect of heat treatment on microstructure and electrochemical behavior of laser powder bed fusion hydride- dehydride ti-6al-4v alloy
Creator: Delpazir, Melody Honardan
Date: 2022
Description: In powder bed additive manufacturing, feedstock and processing have an impact onfinal microstructure and properties of 3D-printed parts. While...
Show moreIn powder bed additive manufacturing, feedstock and processing have an impact onfinal microstructure and properties of 3D-printed parts. While numerous studies have evaluated 3D-printing of spherical powder, very limited research has been carried out on the processing of the non-spherical feedstock. This study is targeted specifically to the use of non-spherical Ti-6Al-4V powders in the laser powder bed fusion (L-PBF) process. Two different post-heat-treatments including hot isostatic pressing and solution treatment are applied. The microstructure evaluation, potentiodynamic polarization, and electrochemical impedance spectroscopy methods are used to characterize L-PBF processed and post- treated specimens. Though as-built part exhibits anisotropic microstructure containing acicular α′ martensite with trace amount of β phase, the heat-treated parts are composed of α+β in which length and thickness of the α-lath depends on the treatment. The below β transus heat treatment leads to the formation of a homogenized grain structures composed of α+β. Electrochemical results show that the below β transus heat-treatment had a slight positive effect on the improvement of corrosion resistivity (corrosion rate of 4.2×10-6 mmy- 1 , which is classified as an excellent ) compared to other conditions, which would be associated to the natural excellent corrosion resistance of Ti-6Al-4V alloy. This slight improvement can be ascribed by the slightly faster formation of a passive layer and its enhanced efficiency because of the presence of the fine-structured β phase in post heat- treated L-PBF processed Ti-6Al-4V alloy.
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Title: SYNTHESIS AND CHARACTERIZATION OF MG, NB, TI-DOPED LINIO2 CATHODE MATERIAL FOR LI-ION BATTERIES
Creator: Tian, Yiwen
Date: 2022
Description: In this project, the influence of several metal doping on the electrochemical properties of LiNiO2 materials was analyzed. The doping method...
Show moreIn this project, the influence of several metal doping on the electrochemical properties of LiNiO2 materials was analyzed. The doping method is aiming to improve the stability of the layered structure and inhibit the mixing of nickel and lithium by enhancing the structural stability of the layered material and replacing part of Ni with other metals in the process of intercalation/deintercalation, thereby promoting the cyclic performance and reversible capacity. The LiNiO2 powder doped with Nb, Ti and Mg is denoted as Li0.96Ni0.9Nb0.06Ti0.04Mg0.02O2 or, in short, metal-doped LiNiO2. The synthesis of the metal-doped LiNiO2 powder consists of mixing the lithium and nickel sources with various metal oxides and then being subjected to high-energy ball milling for 10 hours, followed by heating for 20 h in a metallic tube furnace at 680℃ with flowing oxygen atmosphere. The undoped LiNiO2 powder synthesized using the same process and conditions was compared with the doped LiNiO2 powder. In order to understand the doping mechanism, field emission scanning electron microscopy (FESEM), energy dispersive spectroscopy (EDS), and X-ray diffraction (XRD) were used to analyze the morphology, composition and crystal structure of the final product. Benefiting from the Mg, Nb, and Ti doping, the doped LiNiO2 exhibited a high reversible capacity of 130.56 mAh g-1, higher than that of undoped LiNiO2 (95.02 mAh g-1) under the 0.1C charge/discharge rate in the voltage window between 2.5 and 4.2 V. Further, the doped LiNiO2 has 86% of capacity retention over 100 cycles, better than undoped LiNiO2 (only 44% of capacity retention) under the 0.5C charge/discharge rate between 2.5 and 4.2 V.
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