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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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Additive Manufacture of Multi-Functional, Large-Scale Components
The poster summarizes the main results for a LDRD focused on developing a arc-based additive manufacturing (AM) system capable of fabricating large components with a composition gradient otherwise known as functionally graded materials (FGMs). FGMs are capable of addressing local extreme conditions in an optimal and cost-effective manner. The AM system (referred to as multi-Wire Arc Additive Manufacturing or m-WAAM) consisted of modifying a standard automated gas tungsten arc welding system to deliver multiple welding wires to the weld pool at controlled rates to deposit desired alloy compositions at critical locations. Numerous shapes and composition gradients were fabricated with the system and the effect of various deposition parameters on the nature of the composition profile were evaluated. Additionally, heat treatment of the FGM was performed to develop graded microstructures which should enhance dynamic impact performance of inexpensive steels. The project highlights the potential of m-WAAM to efficiently fabricate FGMs. However, this project only explored the science behind the technique and additional development work will be required to develop a fully-functional system that can build more complex components.
Thermal Cyclic Behavior of Thermal and Environmental Barrier Coatings Investigated Under High-Heat-Flux Conditions
Environmental barrier coatings (EBC's) have been developed to protect silicon-carbide- (SiC) based ceramic components in gas turbine engines from high-temperature environmental attack. With continuously increasing demands for significantly higher engine operating temperature, future EBC systems must be designed for both thermal and environmental protection of the engine components in combustion gases. In particular, the thermal barrier functions of EBC's become a necessity for reducing the engine-component thermal loads and chemical reaction rates, thus maintaining the required mechanical properties and durability of these components. Advances in the development of thermal and environmental barrier coatings (TBC's and EBC's, respectively) will directly impact the successful use of ceramic components in advanced engines. To develop high-performance coating systems, researchers must establish advanced test approaches. In this study, a laser high-heat-flux technique was employed to investigate the thermal cyclic behavior of TBC's and EBC's on SiC-reinforced SiC ceramic matrix composite substrates (SiC/SiC) under high thermal gradient and thermal cycling conditions. Because the laser heat flux test approach can monitor the coating's real-time thermal conductivity variations at high temperature, the coating thermal insulation performance, sintering, and delamination can all be obtained during thermal cycling tests. Plasma-sprayed yttria-stabilized zirconia (ZrO2-8 wt% Y2O3) thermal barrier and barium strontium aluminosilicate-based environmental barrier coatings (BSAS/BSAS+mullite/Si) on SiC/SiC ceramic matrix composites were investigated in this study. These coatings were laser tested in air under thermal gradients (the surface and interface temperatures were approximately 1482 and 1300 C, respectively). Some coating specimens were also subject to alternating furnace cycling (in a 90-percent water vapor environment at 1300 C) and laser thermal gradient cycling tests (in air), to investigate the water vapor effect. All cyclic tests were conducted using a 60-min hot-time temperature.
Blood pressure responses to LBNP in nontrained and trained hypertensive rats
To study the influences of 16 wk of endurance training on the reflex regulation of resting blood pressure, nontrained (NT) and trained (T) female hypertensive rats (SHR) were subjected to conditions of lower body negative pressure (LBNP). Measurements of muscle cytochrome oxidase activity and run time to exhaustion indicated that the animals were endurance trained. The rats (NT = 6, T = 7) were tranquilized with 300-600 micrograms.kg-1 diazepam (IV) before heart rates and blood pressures were measured over a range of 2.5-10.0 mm Hg of negative pressure. When subjected to conditions of LBNP, the reflex tachycardia of the T group was greater than the NT at the lower (-2.5 and -5.0 mm Hg) negative pressures. Although arterial pressure declines were similar in both groups, the T group experienced significantly less of a decline in central venous pressure than the NT animals. When chlorisondamine was used as a ganglionic blocker (2.5 mg.kg-1, IV), the fall in CVP at 10 mm Hg negative pressure was greater for the NT group while the fall in the initial systemic arterial pressure was more for the T group. From these results we concluded that training had altered the interaction between cardiopulmonary and arterial baroreflexes in these hypertensive rats and a nonneural component had been altered such as cardiac function.
Lidar observations and modeling of cold air outbreaks during MASEX and GALE
As part of MASEX and GALE a number of research flights were carried out over the Marine Boundary Layer (MBL) during periods when extremely cold and dry continental air was flowing out over the warm coastal waters at the east coast of the U.S. Such periods, which are named cold air outbreaks are characterized by massive warming and moistening of the MBL resulting in rapid entrainment conditions. As the MBL deepens as a function of fetch over the ocean, clouds develop. The line of cloud formation typically follows the coast line closely as has been observed many times from satellite imagery. The backscatter data from the NASA Goddard airborne lidar, which was used to measure the depth of the MBL in great detail, is ideally suited to verify parametrized models of boundary layer growth rate. The data indicates that the deepening MBL gradually develops clouds at its top. Those clouds form an integral part of the MBL and exercise an important influence on the energy cycle within the MBL. It is suggested that the rapid entrainment observed during overcast conditions represent an increase in efficiency of conversion of available turbulence kinetic energy into entrainment energy.
Reactive transport benchmarks for subsurface environmental simulation
Over the last 20 years, we have seen firsthand the evolution of multicomponent reactive transport modeling and the expanding range and increasing complexity of subsurface applications it is being used to address. There is a growing reliance on reactive transport modeling (RTM) to address some of the most compelling issues facing our planet: climate change, nuclear waste management, contaminant remediation, and pollution prevention. While these issues are motivating the development of new and improved capabilities for subsurface environmental modeling using RTM (e.g., biogeochemistry from cell-scale physiology to continental-scale terrestrial ecosystems, nonisothermal multiphase conditions, coupled geomechanics), there remain longstanding challenges in characterizing the natural variability of hydrological, biological, and geochemical properties in subsurface environments and limited success in transferring models between sites and across scales. An equally important trend over the last 20 years is the evolution of modeling from a service sought out after data has been collected to a multifaceted research approach that provides (1) an organizing principle for characterization and monitoring activities; (2) a systematic framework for identifying knowledge gaps, developing and integrating new knowledge; and (3) a mechanistic understanding that represents the collective wisdom of the participating scientists and engineers. There are now large multidisciplinary projects where the research approach is model-driven, and the principal product is a holistic predictive simulation capability that can be used as a test bed for alternative conceptualizations of processes, properties, and conditions. Much of the future growth and expanded role for RTM will depend on its continued ability to exploit technological advancements in the earth and environmental sciences. Advances in measurement technology, particularly in molecular biology (genomics), isotope fractionation, and high-resolution X-ray spectroscopy, have created new lines of research that can be used to inform the conceptualization of reactions and rate laws and validate mechanistic models. For example, spectroscopy has identified the oxidation states of key components and elemental distributions at increasingly smaller scales and lower concentrations; molecular biology has progressed from identifying the presence of microbes to characterization of which microbial communities are active and what they are doing (i.e., microbial function), which has led in turn to the identification of active processes under conditions beyond what analytical chemistry can discern; isotope ratios in pore water and solid phases that can be used to distinguish between biotic from abiotic processes, sorption from precipitation, and origin and age of groundwater. The other noteworthy development that is expanding the role of RTM in subsurface environmental modeling is he advance in computational technology that is enabling the simulation of more coupled processes with increasing mechanistic detail. In some cases, this involves the inclusion of more reactive species and/or microbial populations in the simulations; in other cases, the impact is through the ability to achieve high resolution of property distributions over longer simulated times. To achieve these ambitious objectives for subsurface reactive transport simulation, the subsurface science and engineering community is being driven to provide accurate assessments of engineering performance and risk for important issues with far-reaching consequences. As a result, the complexity and detail of subsurface processes, properties, and conditions that can be simulated have significantly expanded. This expansion was enabled, in part, by advances in measurement technology, computing technology, and numerical techniques.
The Stabilization Rate of Solutions to the Cauchy Problem for Parabolic Equations
We study sufficient conditions on lower-order coefficients of a nondivergence-form parabolic equation that guarantee the power rate of the uniform stabilization of the solution to the Cauchy problem on every compact set K of R{sup N} for any bounded initial function.
Kagomé lattices as cathode: Effect of particle size and fluoride substitution on electrochemical lithium insertion in sodium- and ammonium Jarosites
Highly crystalline sodium and ammonium Jarosites, NaFe{sub 3}(SO{sub 4}){sub 2}(OH){sub 6} and NH{sub 4}Fe{sub 3}(SO{sub 4}){sub 2}(OH){sub 6}, have been synthesized employing hydrothermal synthesis routes. The structures consist of anionic layers of vertex-sharing FeO{sub 6} octahedra and SO{sub 4} tetrahedral units with interlayer space occupied by Na and ammonium ions, respectively. The corner-sharing FeO{sub 6} octahedral units form six and three rings similar to hexagonal tungsten bronze sheets also known as kagomé lattice. These sodium and ammonium Jarosites are thermally stable up to 400 °C and undergo facile electrochemical lithium insertion through the reduction of Fe{sup 3+} to Fe{sup 2+}. Galvanostatic charge–discharge indicates that up to 2.25 and 2 lithium ions per formula unit can be inserted at an average voltage of 2.49 and 2.26 V to the sodium and the ammonium Jarosites, respectively, under slow discharge rate of C/50. The cycle-life and experimental achievable capacity show strong dependence on particle sizes and synthesis conditions. A small amount of fluoride substitution improves both achievable capacity and average voltage. - Graphical abstract: Discharge capacity of jarosite phases as a function of particle size and fluoride substitution. - Highlights: • Synthesis of natro- and ammonium Jarosites. • Jarosites as cathodes for lithium ion batteries. • Li-ion electrochemistry of Jarosites. • Mössbauer spectroscopy of Jarosites.
Shielding Analysis Capability of UNF-ST&DARDS
The Used Nuclear Fuel Storage, Transportation and Disposal Analysis Resource and Data System (UNF-ST&DARDS) is used to perform dose rate calculations for spent nuclear fuel (SNF) transportation packages based on the actual physical and nuclear characteristics (i.e., assembly design, burnup, initial enrichment, and cooling time) of the as-loaded SNF. Nuclear fuel data, transportation package model templates, and SNF canister loading map information residing within the tool facilitate automated generation of SCALE input files for radiation source term and dose rate calculations. Transportation package specific models developed for UNF-ST&DARDS dose rate analyses are described in detail. UNF-ST&DARDS dose rate analyses were performed in this paper for over 400 SNF canisters from 16 sites in their designated transportation casks. For simplicity, representative dose rate calculation results are presented as a function of time (i.e., selected calendar years between 2020 and 2100) for 73 SNF canisters in dry storage at four sites. For these canisters, the projected maximum dose rate values at 2 m from the lateral surfaces of the vehicle under normal conditions of transport (NCT) would vary between 1.9 and 11.5 mrem/h in 2020. Five SNF canisters will exceed the regulatory dose rate limit of 10 mrem/h at 2 m in 2020, and the analyzed SNF canisters will comply with regulatory dose rate limits by 2030. An analysis of the impact on the dose rate of fuel failure and reconfiguration during transportation indicated that the maximum dose rate for hypothetical accident conditions will be unaffected, and the NCT maximum dose rate at 2 m would have a maximum increase by a factor of 1.7 for a representative pressurized water reactor package and by a factor of 2.6 for a representative boiling water reactor package relative to intact fuel. Finally, analysis of the actual heat loading and the dose rate at 2 m from the lateral surface of the vehicle for the five SNF canisters exceeding the NCT regulatory dose rate limit of 10 mrem/h in 2020 showed that the dose rate could be more limiting with respect to regulatory requirements than the heat loading; i.e., the canister transportability date may be evaluated based on the transportation package’s external dose rate.
Beyond Darcy's law: The role of phase topology and ganglion dynamics for two-fluid flow
Relative permeability quantifies the ease at which immiscible phases flow through porous rock and is one of the most well known constitutive relationships for petroleum engineers. It however exhibits troubling dependencies on experimental conditions and is not a unique function of phase saturation as commonly accepted in industry practices. The problem lies in the multi-scale nature of the problem where underlying disequilibrium processes create anomalous macroscopic behavior. Here we show that relative permeability rate dependencies are explained by ganglion dynamic flow. We utilize fast X-ray micro-tomography and pore-scale simulations to identify unique flow regimes during the fractional flow of immiscible phases and quantify the contribution of ganglion flux to the overall flux of non-wetting phase. We anticipate our approach to be the starting point for the development of sophisticated multi-scale flow models that directly link pore-scale parameters to macro-scale behavior. Such models will have a major impact on how we recover hydrocarbons from the subsurface, store sequestered CO 2 in geological formations, and remove non-aqueous environmental hazards from the vadose zone.
Optical tuning of the diamond Fermi level measured by correlated scanning probe microscopy and quantum defect spectroscopy
Quantum technologies based on quantum point defects in crystals require control over the defect charge state. Here we tune the charge state of shallow nitrogen-vacancy and silicon-vacancy centers by locally oxidizing a hydrogenated surface with moderate optical excitation and simultaneous spectral monitoring. The loss of conductivity and change in work function due to oxidation are measured in atmosphere using conductive atomic force microscopy and Kelvin probe force microscopy (KPFM). We correlate these scanning probe measurements with optical spectroscopy of the nitrogen-vacancy and silicon-vacancy centers created via implantation 15–25 nm beneath the diamond surface and annealing. The observed charge state of the defects as a function of optical exposure demonstrates that laser oxidation provides a way to precisely tune the Fermi level over a range of at least 2.00 eV. We also observe a significantly larger oxidation rate for implanted surfaces compared to unimplanted surfaces under ambient conditions. Here, combined with knowledge of the electron affinity of a surface, these results suggest KPFM is a powerful, high-spatial-resolution technique to advance surface Fermi level engineering for charge stabilization of quantum defects.
Combining RAVEN, RELAP5-3D, and PHISICS for Fuel Cycle and Core Design Analysis for New Cladding Criteria
The Nuclear Regulatory Commission (NRC) has considered revision of 10 CFR 50.46C rule to account for the effects of burn-up rate in future analysis of reactor accident scenarios so that safety margins may evolve with the operation and reloading of the reactor as dynamic limits. In order to find these limiting conditions, both cladding oxidation and maximum temperature must be cast as functions of fuel exposure. It is computationally intensive to run a plant model through a long duration operational transient to the time of fuel reload, and this must be repeated for each reload until the time of the accident scenario. Moreover, fuel reload patterns may differ in many ways so that calculations with many different core configurations must be considered. To perform such new analyses in a reasonable amount of computational time with good accuracy, Idaho National Laboratory (INL) has developed new multi-physics tools by combining existing codes and adding new capabilities. The Parallel Highly Innovative Simulation INL Code System (PHISICS) toolkit for neutronic and reactor physics is coupled with the Reactor Excursion and Leak Analysis Program (RELAP5-3D) for the Loss of Coolant Accident (LOCA) analysis and RAVEN for the Probabilistic Risk Assessment (PRA) and margin characterization analysis. Expansion of code capability was also necessary. For RELAP5-3D to process a single sequence of cores in a continuous run required modification of RELAP5-3D to restart a sequence of input decks, each with a slightly modified neutronics model or thermal-hydraulic flow region and culminating in an accident scenario. A new multi-deck input processing capability was developed and verified for this analysis. In conclusion, the combined RAVEN/PHISICS/RELAP5-3D tool is used to analyze a typical Pressurized Water Reactor (PWR).
Risk-Averse Control of Fractional Diffusion with Uncertain Exponent
In this paper, we introduce and analyze a new class of optimal control problems constrained by elliptic equations with uncertain fractional exponents. We utilize risk measures to formulate the resulting optimization problem. We develop a functional analytic framework, study the existence of solution and rigorously derive the first-order optimality conditions. Additionally, we employ a sample-based approximation for the uncertain exponent and the finite element method to discretize in space. Further, we prove the rate of convergence for the optimal risk neutral controls when using quadrature approximation for the uncertain exponent and conclude with illustrative examples.
Effects of ionomer morphology on oxygen reduction on Pt
In this paper, the oxygen reduction reaction (ORR) at the interface between platinum and Nafion 1100 equivalent weight was studied as a function of temperature (20–80 °C), humidity (10–100%), scan rate, the manner in which Nafion film was deposited, and the state of the Pt surface using ultramicroelectrodes employing cyclic voltammetry and chronoamperometry. ORR on smooth electrodes was strongly inhibited under specific conditions dependent on temperature, humidity, and scan rate. From the data presented, we postulate that dynamic changes in the molecular structure of the ionomer at the platinum interface result in differences in ORR voltammetry for films prepared and equilibrated under different conditions. The lack of similar changes for rough, platinized electrodes has been attributed to differences in initial ionomer structure and a higher energy barrier for ionomer restructuring. Finally, these model system studies yield insight into the ionomer-catalyst interface of particular interest for polymer electrolyte fuel cells.
Higher Americium Oxidation State Research Roadmap
The partitioning of hexavalent Am from dissolved nuclear fuel requires the ability to efficiently oxidize Am(III) to Am(VI) and to maintain that oxidation state for a length of time sufficient to perform the separation. Several oxidants have been, or are being developed. Chemical oxidants include Ag-catalyzed ozone, Ag-catalyzed peroxydisulfate, Cu(III) periodate, and sodium bismuthate. Hexavalent americium has also now successfully been prepared by electrolysis, using functionalized electrodes. So-called auto-reduction rates of Am(VI) are sufficiently slow to allow for separations. However, for separations based on solvent extraction or ion exchange using organic resins, the high valence state must be maintained under the reducing conditions of the organic phase contact, and a holding oxidant is probably necessary. Until now, only Cu(III) periodate and sodium bismuthate oxidation have been successfully combined with solvent extraction separations. Bismuthate oxidation provided the higher DAm, since it acts as its own holding oxidant, and a successful hot test using centrifugal contactors was performed. For the other oxidants, Ag-catalyzed peroxydisulfate will not oxidize americium in nitric acid concentrations above 0.3 M, and it is not being further investigated. Peroxydisulfate in the absence of Ag catalysis is being used to prepare Am(V) in ion exchange work, discussed below. Preliminary work with Ag-catalyzed ozone has been unsuccessful for extractions of Am(VI) from 6.5 M HNO3, and only one attempt at extraction, also from 6.5 M HNO3, using the electrolytic oxidation has been attempted. However, this high acid concentration was based on the highest Am extraction efficiency using the bismuthate oxidant; which is only sparingly soluble, and thus the oxidation yield is based on bismuthate solubility. Lower acid concentrations may be sufficient with alternative oxidants and work with Ag-ozone, Cu(III) and electrolysis is on-going. Two non-solvent-extraction separations are also under investigation. The first would separate Am(VI) by co-crystallization with uranium and the other oxidizable actinides as their nitrate salts. This novel idea has been successful in lab scale testing, and merits further investigation. Similarly, success has been achieved in separations using inorganic or hybrid ion exchange materials to sorb the lanthanides and actinides, while allowing pentavalent americium to elute. This is the only technique currently investigating Am(V), despite the advantages of this oxidation state with regard to its higher stability. The ultimate destination for this roadmap is to develop an americium separation that can be applied under process conditions, preferably affording a co-separation of the actinyl (VI) ions. Toward that end, emphasis is given here to selection of a solvent extraction flowsheet for testing in the INL centrifugal contactor hot test bed during FY16. A solvent extraction process will be tested mainly because solvent extraction separations of Am(VI) are relatively mature and the test bed currently exists in a configuration to support them. Thus, a major goal of FY16 is to select the oxidant/ligand combination to run such a test using the contactors. The only ligands under consideration are DAAP and DEHBA. This is not to say that ion exchange and co-crystallization techniques are unimportant. They merit continued investigation, but are not mature enough for hot test bed testing at this time.
Thermodynamics and Kinetics of Phase Transformations in Energy Materials (Final Report)
The primary goal of this program is to develop computational tools and methodology for enabling a shift from empirical trial-and-error driven materials discovery towards data and information technology driven design of materials with targeted functional properties. Both thermodynamic and kinetic factors need to be taken into account when designing new materials. Thermodynamics sets the necessary-but-not-sufficient conditions for the suitability of a particular material in a given application, while the kinetics controls the rates of microscopic processes and hence the performance in energy applications (e.g., power in energy storage, conversion efficiencies in solar cells and thermoelectrics, chemical activity in catalysis). The complexity of these phenomena makes computational design difficult, not least due to the lack of suitable theoretical methods and computational tools. To address these needs, we develop systematic, quantitatively accurate first-principles methods to address two important problems: (i) predict and optimize the thermodynamics of materials over a large composition and structure space, and (ii) model kinetic processes such as mass and heat transport in crystalline solids under non-equilibrium conditions. These tasks are addressed by combining high-throughput computation with automatic construction of accurate lattice models using mathematically rigorous methods of information theory, such as compressive sensing and Bayesian inference.
Multiscale Modeling of Nanoparticle Precipitation in Oxide Dispersion-Strengthened Steels Produced by Laser Powder Bed Fusion
Laser Powder Bed Fusion (LPBF) enables the efficient production of near-net-shape oxide dispersion-strengthened (ODS) alloys, which possess superior mechanical properties due to oxide nanoparticles (e.g., yttrium oxide, Y-O, and yttrium-titanium oxide, Y-Ti-O) embedded in the alloy matrix. To better understand the precipitation mechanisms of the oxide nanoparticles and predict their size distribution under LPBF conditions, we developed an innovative physics-based multiscale modeling strategy that incorporates multiple computational approaches. These include a finite volume method model (Flow3D) to analyze the temperature field and cooling rate of the melt pool during the LPBF process, a density functional theory model to calculate the binding energy of Y-O particles and the temperature-dependent diffusivities of Y and O in molten 316L stainless steel (SS), and a cluster dynamics model to evaluate the kinetic evolution and size distribution of Y-O nanoparticles in as-fabricated 316L SS ODS alloys. The model-predicted particle sizes exhibit good agreement with experimental measurements across various LPBF process parameters, i.e., laser power (110–220 W) and scanning speed (150–900 mm/s), demonstrating the reliability and predictive power of the modeling approach. The multiscale approach can be used to guide the future design of experimental process parameters to control oxide nanoparticle characteristics in LPBF-manufactured ODS alloys. Additionally, our approach introduces a novel strategy for understanding and modeling the thermodynamics and kinetics of precipitation in high-temperature systems, particularly molten alloys.
High Power Flex-Propellant Arcjet Performance
A MW-class electrothermal arcjet based on a water-cooled, wall-stabilized, constricted arc discharge configuration was subjected to extensive performance testing using hydrogen and simulated ammonia propellants with the deliberate aim of advancing technology readiness level for potential space propulsion applications. The breadboard design incorporates alternating conductor/insulator wafers to form a discharge barrel enclosure with a 2.5-cm internal bore diameter and an overall length of approximately 1 meter. Swirling propellant flow is introduced into the barrel, and a DC arc discharge mode is established between a backplate tungsten cathode button and a downstream ringanode/ spin-coil assembly. The arc-heated propellant then enters a short mixing plenum and is accelerated through a converging-diverging graphite nozzle. This innovative design configuration differs substantially from conventional arcjet thrusters, in which the throat functions as constrictor and the expansion nozzle serves as the anode, and permits the attainment of an equilibrium sonic throat (EST) condition. During the test program, applied electrical input power was varied between 0.5-1 MW with hydrogen and simulated ammonia flow rates in the range of 4-12 g/s and 15-35 g/s, respectively. The ranges of investigated specific input energy therefore fell between 50-250 MJ/kg for hydrogen and 10-60 MJ/kg for ammonia. In both cases, observed arc efficiencies were between 40-60 percent as determined via a simple heat balance method based on electrical input power and coolant water calorimeter measurements. These experimental results were found to be in excellent agreement with theoretical chemical equilibrium predictions, thereby validating the EST assumption and enabling the utilization of standard TDK nozzle expansion analyses to reliably infer baseline thruster performance characteristics. Inferred specific impulse performance accounting for recombination kinetics during the expansion process implied nearly frozen flow in the nozzle and yielded performance ranges of 800-1100 sec for hydrogen and 400-600 sec for ammonia. Inferred thrust-to-power ratios were in the range of 30-10 lbf/MWe for hydrogen and 60-20 lbf/MWe for ammonia. Successful completion of this test series represents a fundamental milestone in the progression of high power arcjet technology, and it is hoped that the results may serve as a reliable touchstone for the future development of MW-class regeneratively-cooled flex-propellant plasma rockets.