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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Self-Assembled Room Temperature Multiferroic BiFeO 3 -LiFe 5 O 8 Nanocomposites

Multiferroic materials have driven significant research interest due to their promising technological potential. Developing new room-temperature multiferroics and understanding their fundamental properties are important to reveal unanticipated physical phenomena and potential applications. Here, a new room temperature multiferroic nanocomposite comprised of an ordered ferrimagnetic spinel α-LiFe 5 O 8 (LFO) and a ferroelectric perovskite BiFeO 3 (BFO) is presented. It is observed that lithium (Li)-doping in BFO favors the formation of LFO spinel as a secondary phase during the synthesis of Li x Bi 1-x FeO 3 ceramics. Multimodal functional and chemical imaging methods are used to map the relationship between doping-induced phase separation and local ferroic properties in both the BFO-LFO composite ceramics and self-assembled nanocomposite thin films. The energetics of phase separation in Li doped BFO and the formation of BFO-LFO composites are supported by first principles calculations. These findings shed light on Li's role in the formation of a functionally important room temperature multiferroic and open a new approach in the synthesis of light element doped nanocomposites for future energy, sensing, and memory applications.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Design, Analysis and Comparison of Insulated Metal Substrates for High Power Wide-Bandgap Power Modules

In this technical paper, design, analysis and comparison of insulated metal substrates for high power wide-bandgap semiconductor-based power modules is discussed. The paper starts with technical description and discussion of state-of-the-art direct bonded copper substrates with different ceramic insulators such as AlN, Al2O3 and Si3N4. This is followed by introduction of insulated metal substrates, material properties and options on each layer, and design approach for high power applications. The properties of dielectric thickness, and impact on power handling capability of the substrate are discussed. Insulated metal substrate design approach for SiC MOSFET based power modules is presented. Finite element analysis-based characterization and comparison of different designs including steady-state and transient thermal response is presented. The results show that IMS is a promising alternative to DBC in high power modules with improved transient thermal performance. IMS provides flexible building structure with multi-layer stacking options and variable thicknesses at different layers.

Gurpinar, Emre↗
DOE OSTI2022

Deep Neural Network Algorithm for CMC Microstructure Characterization and Variability Quantification

Microstructure characterization and variability quantification are crucial for understanding ceramic matrix composites (CMCs) mechanical behavior and deformation mechanisms across length scales. Traditionally, analyses of the micrographs obtained from microscopy are labor-intensive. However, with the vast improvement in computer vision (CV) and deep learning (DL), an automated algorithm can be designed to extract essential microstructure variability from micrographs which can then be used to construct a statistically representative volume element (SRVE). The DL-based algorithm spans the taxonomy of microstructure analyses, including semantic segmentation of microstructure constituents, secondary phases, matrix/fiber interface, and defects, and quantifying the microstructure variability in terms of probability distributions. In this work, C/SiNC and SiC/SiNC CMCs microstructures are semantically segmented through a deep convolutional neural network, followed by variability quantification through the implementation of a fully connected regression layer, hence forming a deep regression network. The deep regression network operates in a feedforward regime, in which the neuron output signal traverses through the network in a unidirectional manner. The weight tensor associated with each layer is updated through a backpropagation stochastic gradient descent approach. The input gray-scale image obtained through in-house scanning electron microscope and confocal microscope micrographs is augmented through affine transformations to increase the training set size, which is then processed through four strided convolutional layers. This compresses the image resolution by half at each layer while increasing the image depth by applying different filters (image encoding). The class activation maps (CAMs) corresponding to the applied filters highlight the key architectural features and assist with the semantic segmentation of the microstructure.

Hamza, Mohamed H.↗
DOE OSTI2019

Synthesis and Characterization of Natural Nano-hydroxyapatite Derived from Turkey Femur-Bone Waste

Hydroxyapatite (HAp) is a bioactive and vital material which has found many applications in the biomedical and clinical fields. This bio-ceramic powder can be synthesized via different bio-waste materials. In this study, the production of natural nanohydroxyapatite was produced through calcination of untreated turkey femur-bone waste powder at 850 °C followed by ball milling the powder. The obtained powder was characterized using X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) analysis. The morphology, size, and elemental composition of obtained turkey hydroxyapatite (THA) particles were investigated by scanning electron microcopy (SEM), transmission electron microcopy (TEM), and energy dispersive spectroscopy (EDS) analysis, in which the average particle size of ball milled THA was found to be about 85 nm with a Ca/P ratio of 1.63. The powder was then cold pressed and later sintered at 850, 950, 1050, and 1150 °C to evaluate its mechanical properties in terms of compressive strength and hardness. The results revealed that the strength and hardness of the samples increased by increasing the sintering temperature up to 1150 °C. Finally, the maximum values of hardness and compressive strength of the sintered THA were obtained at 1150 °C (37.44 MPa and 3.2 GPa, respectively).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

A probabilistic-phase field model for the fracture of brittle materials

Abstract We develop a computational method to determine the failure probability of brittle materials under general mechanical loading conditions. The method is a combination of two parts: (1) numerical simulations of materials with multiple cracks using phase field theory, where the complete fracture process is viewed as ‘damage percolation’ along critical paths or clusters of cracks, rather than the traditional weak-link failure mechanism of Weibull, and (2) an extension of the Batdorf statistical theory of fracture to finite domains, where it is implemented within the finite element framework. The results of phase-field simulations at the ‘percolation threshold’ are used as failure data in the Batdorf theory to determine the overall probability of failure. The input to this approach is the size distribution of cracks in a pristine material. An example is shown, where alumina samples that were previously tested by Abe and coworkers (Abeet al2003J. Am. Ceram. Soc.861019–21) in four-point loading are compared to the results of our numerical simulations. The approach developed here has the advantage of being extendable to more complex thermomechanical loading.

Materials Science↗
DOE OSTI2020

High-Energy X-Ray Diffraction Microscopy in Materials Science

High-energy diffraction microscopy (HEDM) is an implementation of three-dimensional X-ray diffraction microscopy. HEDM yields maps of internal crystal orientation fields, strain states, grain shapes and locations as well as intragranular orientation distributions, and grain boundary character. Because it is nondestructive in hard materials, notably metals and ceramics, HEDM has been used to study responses of these materials to external fields including high temperature and mechanical loading. Currently available sources and detectors lead to a spatial resolution of ~1 μm and an orientation resolution of <0.1°. With the penetration characteristic of high energies ( E ≥ 50 keV), sample cross-section dimensions of ~1 mm can be studied in materials containing elements across much of the Periodic Table. This review describes hardware and software associated with HEDM as well as examples of applications. Overall, these applications include studies of grain growth, recrystallization, texture development, orientation gradients, deformation twinning, annealing twinning, plastic deformation, and additive manufacturing. We also describe relationships to other X-ray-based methods as well as prospects for further development.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Polymer Precursors for Coatings, Binder and Adhesive Applications for Solid State Electrolytes

We describe here a low temperature route to coatings that were originally intended to provide properties similar to gas phase deposited LiPON, but by using solution coating of polymer precursors containing the same elements with similar thicknesses. The intent was to find a simple alternative to the sometimes costly gas phase deposition methods. Our approach involves the synthesis of polymer versions of O=P(NH 2 ) 3 from OPCl 3 followed by lithiation with LiNH 2 . We chose a series of substrates produced in our laboratories that are typically 10-50 µm thick and fully dense ceramic electrolytes. We then coated thin films of α-Al 2 O 3 , LiAlO 2 of various densities, and LATSP (Li 1.7 Al 0.3 Ti 1.7 Si 0.4 P 2.6 O 12 ) with LiPON derived polymer precursors.

temeche, eleni↗
DOE OSTI2024

Thermal Analysis of the Sirius-3 Nuclear Propulsion Fuel Experiments

To support long space missions, NASA is designing and testing different fuels for nuclear thermal propulsion. These designs include a number ceramic metallic fuels which are to be irradiated in the Tranisent Test Reactor to test the fuel’s performance at protypical conditions. The irradiation campaign of these fuels is referred to as the Sirius experiments, and includes single and stacked experiment samples. In this paper we present the thermal analysis of the Sirius-3 experiment. For this analysis, temperatures from a Bison finite element model are compared to the temperatures obtained from an experiment thermocouple where good agreement between the two are found. Because agreement of the thermocouple and Bison finite element model, insight into the heat flow is provided to experimenters as they design future experiments. As an example of this insight, the rods through the fuel specimen as shown in Sirius A and B [1] were removed and replaced with hold down rings for the Sirius-2C

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Integrated TBC/EBC for SiC Fiber Reinforced SiC Matrix Composites for Next Generation Gas Turbines (Final Report)

In this ambitious project, a significant challenge preventing widespread use of ceramic matrix composites in hot section components of gas power generating turbines was addressed. Hot section components made from SiC fiber reinforced SiC matrix composites (SiC/SiC composites), have the potential to achieve a combined cycle energy efficiency of above 65%. To achieve this efficiency, the temperature of the combustion gases on the turbine component surface is expected to reach as high as ~1700ºC (3100ºF). However, SiC/SiC composites suffer from volatilization at high temperature under high velocity steam environment – typical in a turbine hot chamber. This integrated collaborative project, between two research groups at Clemson University and a team of engineers and scientists at GE Gas Power, focused on design, fabrication and evaluation of a new graded environmental barrier coating. Using the excellent compositional tailorability of polymer derived ceramics (PDCs), we developed an integrated EBC/BC that smoothly transitions from bottom SiC/SiC bond interface to hermetic sesquioxide (Y 2 O 3 ) top surface. This smooth compositional transition avoided the sharp CTE mismatch at interfaces to greatly reduce the thermal stress. The developed EBC is compatible with and bonds well with the bond coat that GE uses. The top hermetic oxide surface ensures low oxygen transportation and volatilization rates under the high velocity steam environment. The graded microstructure with increasing sesquioxide concentration also decreases the amount of Si and C elements near the top hermetic sesquioxide layer. Coatings made using a process suitable for manufacturing – atmospheric plasma spraying was demonstrated. The microstructure of coatings made using this process were fully characterized. Finally, the performance of these coatings was investigated under the most demanding conditions for this application. Specifically, high temperature, high velocity steam exposure; thermal shock test; and thermal cycling tests. The graded coatings performed exceptionally well in all these tests. Specific suggestions for future development in this area have also been identified. In addition to the excellent technical progress, this project helped initiate a robust collaboration between the research groups at Clemson and GE Gas Power. It also provided a high-quality learning and mentoring opportunity for the three post-doctoral research associates and two UG students at Clemson University who worked on this project. All proposed tasks, sub-tasks were completed, and all milestones achieved.

03 NATURAL GAS↗
DOE OSTI2022

Synthesis and Characterization of Silicon Carbide Ceramic Composites with CeO 2 Powder

This study pioneers the fabrication and characterization of silicon carbide (SiC) containing cerium dioxide (CeO 2 ). CeO 2 powder was tested as a surrogate for actinide oxide waste forms such as uranium dioxide (UO 2 ) and plutonium dioxide (PuO 2 ). Several syntheses were evaluated with varying amounts of preceramic polymer (SMP-10 resin) and CeO 2 containing either SiC fiber, carbon fiber, or no fibers. Scanning electron microscopy (SEM) was used to characterize morphology and compositional differences, and energy-dispersive x-ray spectroscopy (EDS) was used to provide semiquantitative elemental analysis. In addition, each sample was characterized by density, powder x-ray diffraction (pXRD), and Raman spectroscopy. Samples containing nearly more than four times CeO 2 powder than SMP-10 resin by mass had the best properties. This research establishes a unique synthesis for SiC containing high concentrations of CeO 2 powder to illustrate how it may be managed as a potential waste form.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

High-fidelity micromechanical modeling of the effects of defects on damage and creep behavior in single tow ceramic matrix composite

Despite the superior properties of ceramic matrix composites (CMCs), their fabrication process generates inevitable defects with high density that significantly influence material integrity and residual useful life. Recent efforts have focused on CMC property prediction and investigation of their different inelastic mechanisms, but very limited work exists on understanding the influence of defects on inelastic responses of CMCs. Here, we introduce a three-dimensional micromechanics computational framework that includes experimentally informed material microstructure and architectural variabilities to investigate CMC response in the presence of manufacturing-induced defects. A developed microstructure generation algorithm is used to generate the representative volume elements in the micromechanics models from complex material morphology information obtained from extensive characterization studies of C/SiNC and SiC/SiNC CMCs. A fracture mechanics-informed matrix damage model is reformulated, in which the model considers the growth of porosity and microcracks in the as-received material. A progressive fiber damage model as well as Orthotropic viscoplasticity creep formulation are also utilized for the study. This methodology is implemented within the micromechanics framework to investigate the complex temperature- and time-dependent load transfer and damage mechanisms of CMCs under operation loading conditions. The developed framework explores the influence of as-received defects on the damage and creep behavior in service conditions. It also provides new insights into the effect of size, shape, distribution, and location of these defects on material response. The framework is then calibrated with unidirectional CMC minicomposite results available in the literature.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Atomistic modeling of metal–nonmetal interphase boundary diffusion

Atomistic computer simulations are applied to investigate the atomic structure, thermal stability, and diffusion processes in Al–Si interphase boundaries as a prototype of metal–ceramic interfaces in composite materials. Some of the most stable orientation relationships between the phases found in this work were previously observed in epitaxy experiments. Here, a non-equilibrium interface can transform to a more stable state by a mechanism that we call interface-induced recrystallization. Diffusion of both Al and Si atoms in stable Al–Si interfaces is surprisingly slow compared with diffusion of both elements in Al grain boundaries but can be accelerated in the presence of interface disconnections. A qualitative explanation of the sluggish interphase boundary diffusion is proposed. Atomic mechanisms of interphase boundary diffusion are similar to those in metallic grain boundaries and are dominated by correlated atomic rearrangements in the form of strings and rings of collectively moving atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Evaluation of Additively Manufactured Monolithic SiC and SiC Ceramic Matrix Composites for CSP- Fabrication and Testing of Receiver Design Feature Specimens in a Simulating Lab Test via Laser Heating

Critical to the creation of a multi-component SiC receiver design concept capable of meeting the SETO CST cost goal objectives of <$150/kWth is the optimal utilization of material for solar absorption and heat transfer to transport fluid. This is to maximize the solar-thermal efficiency in the techno-economic analysis of derived use case. As a first step in preparation of sub-component design for on-sun test evaluations we use different proposed SiC absorber element in a customized laser heat flux test to assess an effective heat transfer coefficient characteristic of the design. The test results are analyzed to extract the effective heat transfer coefficient, thus enable optimization of the geometry of receiver components for heat transfer, efficiency attributes and the thermo-structural management of the components. High intensity CO2 laser is used in combination with air flow through the test specimen to assess the effective heat transfer coefficient under heat flux conditions corresponding to high solar concentrations in the range of 1000-2000 suns.

14 SOLAR ENERGY↗
DOE OSTI2026

Overview of advanced plasma-facing materials testing for Fusion Pilot Plants at DIII-D

Characterization and testing of advanced plasma-facing materials (PFMs) for Fusion Pilot Plants (FPP) is being conducted at the DIII-D National Fusion Facility through the ongoing two-year FPP Candidate Materials Thrust. Year one tested 17 novel materials utilizing the Divertor Materials Evaluation System (DiMES), with samples analyzed pre- and post-experiment via SEM, EDS, and confocal microscopy. Repeatable reference discharges were developed to ensure uniformity between experiments, including a new strike-point rastering scenario to provide more uniform heat/particle flux across DiMES during ELMing H-mode discharges. Various sample geometries and temperatures were used to achieve FPP-relevant conditions, including samples angled 10° towards the incident plasma flux and pre-heating up to 500 °C. The first exposure of liquid lithium (Li) capillary porous structures in a tokamak demonstrated uniform emission of Li vapor and suppression of Li droplets in H-mode when preheated to 350 °C. Dispersoid-strengthened W with 1 wt% TaC, TiC, and ZrC exposed to H-mode showed cracking and dispersoid ejection for all varieties except TiC, providing a clear down-selection. Ultra-high temperature ceramic materials TiB 2 and ZrB 2 showed minimal degradation under L-mode exposure. Silicon carbide (SiC) fiber composites showed arcing along edges, while CVD SiC remained pristine. Atmospheric plasma-sprayed W and SiC coatings endured H-mode exposure without macroscopic delamination; SiC exhibited granular ejection, while W showed increased outgassing. Additional W-based alloys were stress tested in H-mode, including Ni-based W heavy alloys, W f SiC f /W composites, W multi-principle element alloys, and functionally-graded W/SiC, to varying degrees of success.

DIII-D↗
DOE OSTI2021

RF sheath induced sputtering on Proto-MPEX. I. Sheath equivalent dielectric layer for modeling the RF sheath

The pulsed linear plasma device Prototype Material Plasma Exposure eXperiment (Proto-MPEX) uses a radio frequency (RF) helicon antenna with an aluminum nitride ceramic window for plasma production. The RF sheath created under the helicon antenna is sufficient to cause ion impact energies to be greater than the sputtering threshold of the AlN helicon window material and for impurities to be created. In this study, we investigate the RF sheath on the inner diameter of the helicon window and its impact on the impurity production rates in Proto-MPEX. Three models—a 3D COMSOL finite element RF model of the Proto-MPEX helicon region, a rectified DC sheath potential model, and the 3D Global Impurity TRansport code—are coupled together to study impurity production and transportation. This novel method of impurity generation and transport modeling spans length scales ranging from the sheath (millimeters or less) up to the full device (meters) and can be applied to other radio frequency sources and antennas in a wide range of plasma physics studies, including basic plasmas, low-temperature processing plasmas, plasma thrusters, and fusion plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

High-Energy Solid-State Lithium Batteries with Organic Cathode Materials (Final Report)

Organic materials made from abundant elements via low-energy processes are emerging as sustainable and low-cost alternatives to transition metal oxides as the electrode materials for high- energy batteries in the wake of supply chain and environmental issues associated with critical materials during the transition to clean energy. Organic insertion materials (OIMs) offer material- level energy comparable to transition metal oxides, but they have durability difficulties owing to dissolving in common liquid electrolytes. Combining ceramic-based solid electrolytes with organic electrode materials is one intriguing solution. The goal of this project is to design and synthesize high-energy OIMs, to understand the chemical dynamics and mechanical properties at the OIM-sulfide interface during electrochemical cycling, and to develop methods for constructing the optimum cathode microstructure, which will lead to improved electrochemical performance. The project team has accomplished the following over the last four years: (a) demonstrating that the mechanical softness of organic electrode materials is uniquely beneficial in suppressing crack formation at the electrode-electrolyte interface during cell operation; (b) understanding the interaction between cathode microstructure and the mechanical properties of individual components; and (c) establishing predictive control of cathode microstructure by tuning the mechanical properties of solid electrolytes and OIMs; (d) determining the chemical combability of sulfide electrolyte with high-energy OIMs and finally (f) laying out a road map toward a specific energy of 500 Wh kg -1 for solid-state lithium batteries. 14 publications resulted from this project.

25 ENERGY STORAGE↗
DOE OSTI2025

Methanol from Integrated Direct Air Capture and Ceramic Electrolysis (MIDACE)

The Methanol from Integrated Direct Air Capture and Ceramic Electrolysis (MIDACE) project advanced a novel system concept for integrating pressurized co-electrolysis of steam and crude carbon dioxide captured directly from ambient air using a sorbent technology. The co-electrolysis produced syngas provides feedstock for a gas-to-liquid methanol synthesis reactor. The system recovers waste heat from the reactor and electrolyzer into regenerating the direct air capture sorbent. The purpose of the project was to demonstrate critical integration elements of the design and perform a technical study illustrating how a large-scale installation could achieve the $800/ton program target for green methanol production. The concept addresses the program objective to consolidate operations by combining crude CO 2 cleanup, hydrogen production, and partial CO 2 reduction steps within a carbon tolerant high temperature electrolyzer. The design lowers costs by simplifying the methanol recovery cycle, reducing carbon losses from venting, reducing sensitivity to catalyst selectivity, and avoiding syngas compression.

10 SYNTHETIC FUELS↗