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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 613 records · Page 34

Low-Temperature Geothermal Resources: Relevant Data and PFA Methods to Reduce Development Risk

This project is part of a larger national effort focused on demonstrating the multi-faceted value of integrating low-temperature geothermal resources into national decarbonization strategies and community energy plans. Low-temperature geothermal resources are defined as reservoirs-natural or engineered-with temperatures < 150 degrees C. While the focus in the NREL effort is on geothermal heating and cooling (GHC), resources at the upper end of this temperature range can also be used for small-scale power generation. However, low-temperature geothermal resources have not been studied as extensively as higher-temperature geothermal resources. We identified three major classes of low-temperature geothermal play types: sedimentary basins, orogenic systems, and radiogenic systems. We developed workflows for evaluating the potential of these resources building off the Play Fairway Analysis (PFA) approach to de-risking geothermal exploration. This PFA-based approach to low-temperature geothermal resources includes: (1) identifying relevant data; (2) grouping and weighting of relevant datasets into PFA criteria (e.g., geological, risk, economic criteria); (3) developing favorability or common risk maps for low-temperature geothermal resources to identify potential locations for more focused data collection; and (4) estimating electric power generation and heating potential at those locations using the GeoRePORT Resource Size Assessment Tool. This project will facilitate future deployment of GHC by providing data, tools, and workflows applicable to low-temperature geothermal resources.

favorability maps↗

Development of a universal method for high yield of furfural and hydrogen from raw lignocellulosic biomass

In order to develop a universal method for the co-production of furfural and hydrogen from raw lignocellulosic biomass, three types of substrates (maple wood, wheat straw, and tall fescue) were investigated, integrating chemical and electrochemical technologies. The results show both furfural and pure hydrogen were produced from all the biomass substrates, and the substrate type, composition, concentration, and size all affected furfural and hydrogen production. The highest furfural production of 154 mg g -1 substrate was achieved from wheat straw. The highest conversion rate of 67% for the waste furfural residue was realized, and 335 ml pure hydrogen per gram of furfural residue with a Faradaic efficiency of 99.3% was obtained with a new electrolytic cell. A reaction mechanism for hydrogen evolution from furfural residue and a rule for co-production of furfural and hydrogen from raw biomass were proposed. The facts show that a promising universal method for the co-production of furfural and hydrogen from lignocellulosic biomass has been developed.

08 HYDROGEN↗

Glycolate Analysis in Tank 22: Developing and Testing Analytical Methods for the Savannah River Site Liquid Waste System

Researchers developed and tested a range of techniques to support a low mg/L Limit of Quantitation (LOQ) of glycolate in radioactive Tank 22 waste solution by Ion Chromatography (IC) and by proton NMR. For the IC method, Dionex OnGuard II cartridges were tested as a means of removing alkali earth and transition metals that can interfere during ion chromatography applications especially when analyzing for low-concentration, chelating analytes. Additionally, concentrations of nitrate in the raw Tank 22 sample (5,000 to 10,000 mg/L) were managed by using reasonable levels of sample dilution. The resulting IC performance quality was enhanced by improving the baseline, increasing sensitivity [Limit of Quantitation (LOQ) of 12 mg/L and Limit of Detection (LOD) of 4.0 mg/L], and resolving analytes into well-defined Gaussian peaks when using the Dionex OnGuard II H⁺ cartridges to remove matrix interferences. High concentrations of nitrate limited the performance of the IC method. To achieve an acceptable baseline, samples with high nitrate content require more dilution, resulting in higher detection limits. Tests on samples with higher concentrations of nitrate (Tank 30 and 32 supernate with approximately 150000 mg/L nitrate) suggested that IC detection limits for glycolate in these samples would be > 500 mg/L. Thus, an LOQ of 12 mg/L is not feasible by this IC method on evaporator feed samples. An alternative method of glycolate analysis, using proton nuclear magnetic resonance (H NMR), was developed by the research team. In initial tests, the H NMR technique provided reasonable quantitation of glycolate in Tank 22 conditions by direct observation of the liquid. The H NMR method may provide improved detection limits for solutions with higher nitrate concentrations. We recommend further development of this analysis for high nitrate LWS samples such as evaporator feed and evaporator drop tank content. A method for pretreatment of samples using crystalline silicotitanate (CST) was developed and tested. The objective of the pretreatment was to facilitate analysis of samples with higher levels of radioactivity. The pretreatment did not influence the glycolate concentration in solution, and the pretreatment is projected to reduce Cs 137 activity in a sample by a factor of 16,200. The double strike CST pretreatment was demonstrated and would allow milliliters of higher activity samples to be transferred from the Shielded Cells and handled in a containment unit for glycolate analysis. The various studies validated IC and H NMR methods for glycolate analysis, defined the range of applicability, and demonstrated key supporting analytical protocols. Based on the results, high quality glycolate analysis of Tank 22 is feasible down to approximately 12 mg/L, with the potential for broader applicability of the methods to other conditions in the Savannah River Site Liquid Waste System (LWS).

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Clear-sky detection for PV degradation analysis using multiple regression

A method is presented to detect clear-sky periods for plane-of-array irradiance time-averaged data that is based on the algorithm originally described by Reno and Hansen. Here we show this new method improves the state-of-the-art by providing accurate detection at longer data averaging intervals. Moreover, our new method detects clear periods in plane-of-array data, which is novel. The new method is developed by applying a Design of Experiment approach to optimize the parameters used in the Reno method, and Monte Carlo simulations are used to understand the robustness of the found parameters. Clear-sky detection accuracy is compared among four methods: the Reno method, the default clear-sky filter in RdTools, the Ellis method, and the method outlined in this work, using a hand-labeled two-year data set of 1-min plane-of-array irradiance for a fixed tilt system. The RdTools clear-sky filter is marred by excessive false positives. The other methods all perform well at 1-min data intervals; the method developed here provides more accurate detection at longer data averaging intervals. We show that the parameters are directly linked to the data frequency in the hope that these input variables may not have to be optimized for every data frequency and location. However, only a single fixed system in one location was carefully examined. Finally, we illustrate how accurate determination of clear-sky conditions helps to eliminate data noise and bias in the assessment of long-term performance of PV plants.

14 SOLAR ENERGY↗

Development of Laboratory Test Methods for Low-Cost Indoor Air Quality Sensors

This report describes the development of two standard test methods: one for evaluating PM2.5 sensors; and the other for evaluating CO 2 Sensors. The standards were developed to provide a pathway for the use of reliable, low-cost indoor air quality sensors as occupant feedback, ventilation control, and overall indoor air quality improvement. This paper describes the development process and technical issues involved.

30 DIRECT ENERGY CONVERSION↗

Machine-learning Kohn–Sham potential from dynamics in time-dependent Kohn–Sham systems

Abstract The construction of a better exchange-correlation potential in time-dependent density functional theory (TDDFT) can improve the accuracy of TDDFT calculations and provide more accurate predictions of the properties of many-electron systems. Here, we propose a machine learning method to develop the energy functional and the Kohn–Sham potential of a time-dependent Kohn–Sham (TDKS) system is proposed. The method is based on the dynamics of the Kohn–Sham system and does not require any data on the exact Kohn–Sham potential for training the model. We demonstrate the results of our method with a 1D harmonic oscillator example and a 1D two-electron example. We show that the machine-learned Kohn–Sham potential matches the exact Kohn–Sham potential in the absence of memory effect. Our method can still capture the dynamics of the Kohn–Sham system in the presence of memory effects. The machine learning method developed in this article provides insight into making better approximations of the energy functional and the Kohn–Sham potential in the TDKS system.

97 MATHEMATICS AND COMPUTING↗

Stacked target irradiations and radiochemical separations for simultaneous production of short-lived Ni and Ir isotopes

A method was developed for simultaneous production of neutron-deficient Ni and Ir isotopes by irradiation of stacked targets with a 50.5 MeV proton beam, followed by radiochemical separations to remove excess target material. The target, irradiation configuration, and post-irradiation radiochemical separations were developed and tested in a proof-of-principle irradiation. Radiochemical yields and purity of the products are discussed. Finally, the stacked target method, developed herein, can be used to produce other isotope pairs with appropriate beam tailoring.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Testing to Evaluate Processes Expected to Occur during MSR Salt Spill Accidents

Obtaining a license for a new nuclear reactor requires the identification and assessment of the potential consequences of specified accident scenarios, which are achieved using accident progression models. Those models need to be parameterized and validated using experimental data, but existing experimental data addressing processes relevant to molten salt reactor accidents are sparse. Specifically, experimental data that quantify the sensitives of important processes to the initial conditions of the spill, the ambient environment, and the containment features are needed to parameterize individual process models. Integrated experiments that simulate accident scenarios are also needed to provide data for model validation, but these experiments will require the use of proven methods to quantify the processes under evaluation. The overarching objectives of this work are to develop the methods for simulating the targeted processes, to determine the effectiveness of the methods in producing the data required for model development, to generate data that can be used to parameterize individual process models, and to provide key insights into the behavior of spilled molten salt that should be considered in models. Experimental methods were designed to quantify aspects of individual processes expected to occur during or after a molten salt spill accident that will affect the fate of spilled molten salt and the radionuclides within. These processes include 1) molten salt spreading and heat transfer, 2) molten salt flowing and freezing in tubing, 3) stainless steel corrosion kinetics in molten salt, and 4) molten salt splashing and aerosol generation. The initial tests described in this report were conducted using eutectic FLiNaK to demonstrate the test methods, the data that are generated, and the analyses of the data to derive values needed for modeling. The primary variables that were tested include initial salt temperature and the presence of volatile surrogate fission products (e.g., cesium and iodine). The developed methods are shown to be effective in quantifying the desired processes and can be applied to study more complex salt compositions of interest to molten salt reactor developers, a wide range of environmental conditions of interest to modelers, and additional variables relevant to salt spill accidents. The developed methods and insights gained from laboratory tests can also be incorporated in future large-scale integrated tests used to simulate molten salt spill accidents.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Quantifying deformation during Zry-4 burst testing: a comparison of BISON and a combined in-situ digital image correlation and infrared thermography method

The development and verification of nuclear fuel-cladding performance codes require extensive testing to establish empirical correlations, necessitating more accelerated testing methods that can replace large validation studies. Here, in the present work, a technique was developed and implemented to experimentally quantify the relationship between temperature, cladding internal pressure, and strain in-situ during a burst test, with the specific aim of generating data for code validation and model refinement. Digital image correlation was used to measure hoop, axial, and radial strain, and infrared thermography to quantify axial temperature gradients. Several key experimental modifications to traditional LOCA burst testing were necessary, but are shown to effectively have little impact on burst temperatures. The time/temperature dependent pressure and time/spatially dependent thermal gradient data were used with BISON to simulate cladding burst and strain rates. Although the measured DIC strains reach appreciable amounts at slightly lower temperatures than BISON simulated strains, there is good agreement between the measured and simulated strains in terms of magnitude and rates leading up to burst. However, in the few seconds prior to and during burst, the BISON simulated strains are significantly lower than the measured strains, indicating the potential for model improvement. The combined experiment and simulation technique may be applied to any new cladding concept to accelerate fuel qualification.

36 MATERIALS SCIENCE↗

Low-cost, high-efficiency III-V photovoltaics enabled by remote epitaxy through graphene (Final Technical Report)

One of the most important outcomes of this project was that the team developed a method to directly grow graphene layer in wafer-scale on III-V substrates. Conventionally, graphene had to be transferred for remote epitaxy, which has imposed significant challenges in scalability, film quality, and substrate recycling, due to the transfer-related issues. The newly developed method of directly forming 2D layers by Metal-Organic Chemical Vapor Deposition (MOCVD) has realized wafer-scale, defect-free graphene formation for remote epitaxy, which has huge implications not only for solar cells but also in expanding the scalability and the possibility for heterointegration with dissimilar material platforms. Another important outcome was on better understanding of remote epitaxy mechanism. The growth of III-V on graphene is vastly different from directly growing films on III-V substrates, because the surface energy of graphene is very small, meaning that the nucleation density on graphene will be much lower than exposed III-V surfaces. Also, the graphene and the interface properties critically affect remote interaction through graphene. With this obtained knowledge regarding III-V remote epitaxy, we were able to achieve wafer-scale single-crystalline remote epitaxy, 100% exfoliation of the remote epitaxial films, as well as multiple times of GaAs wafer reusability demonstration. The general rule of thumbs found during this project will be a stepping stone for the growth and fabrication of various high-performance devices by remote epitaxy. Lastly, because remote epitaxy and 2DLT offer a pathway to isolate single-crystal membranes from the host wafers, the wafer-scale remote epitaxy processes developed in this project could open up pathways for new functionality and multi-functionality by heterointegration of remote epitaxially formed membranes.

14 SOLAR ENERGY↗

Development and experimental verification of an active noise cancellation (ANC) method for non-invasive sensing

Ultrasonic wave propagation may be used in non-invasive sensing to identify the properties of a fluid in a container. An ultrasonic excitation can be coupled into the liquid or the gas through the walls of the container and detected by a receiver on the other side. However, in addition to this fluid path, another signal will also propagate through the structure and is referred as noise in this study. For most materials, this structural noise will be of higher amplitude compared to the fluid signal due to the large acoustic impedance difference between the solid container and the fluid. In this paper, an active noise cancellation (ANC) method is developed and demonstrated on an experimental setup. It was shown that this method cancels more than 90% of the noise signal in a given time window of interest. A sequential version of this cancellation method is also proposed, and it was shown that its performance improves as the number of canceling excitations is increased. The performance was found to be independent of the location of canceling transducers and position of the silence window but dependent on the width of the silence window. As an example, the ANC method was applied to noise cancellation of a signal travelling through water in a stainless-steel container. The signal-to-noise ratio (SNR) of the water signal in the window of interest was increased by 148% from 13.98 dB to 34.68 dB by using the proposed ANC method.

42 ENGINEERING↗

Highly Active and Stable Palladium Catalysts on Novel Ceria–Alumina Supports for Efficient Oxidation of Carbon Monoxide and Hydrocarbons

Precious metal catalysts with superior low-temperature activity and excellent thermal stability are highly needed in environmental catalysis field. In this study, a novel two-step incipient wetness impregnation (T-IWI) method was developed for the fabrication of a unique and highly stable CeO 2 /Al 2 O 3 support (CA-T). Pd anchored on CA-T exhibited a much higher low-temperature catalytic activity and superior thermal stability in carbon monoxide (CO) and hydrocarbon (HC) oxidations, compared to Pd anchored on conventional CeO 2 /Al 2 O 3 (CA), which was prepared by a one-step IWI method. After aging treatment at 800 °C, the CO oxidation rate on Pd/CA-T (1.69 mmol/(g Pd s)) at 120 °C was 4.1 and 84.5 times of those on Pd/CA (0.41 mmol/(g Pd s)) and Pd/Al 2 O 3 (0.02 mmol/(g Pd s)), respectively. It was revealed that the CA-T support with well-controlled small CeO 2 particles (ca. 12 nm) possessed abundant defects for Pd anchoring, which created rich Pd-CeO 2 interfaces with strengthened interaction between Pd and CeO 2 where oxygen could be efficiently activated. This resulted in the significantly improved oxidation activity and thermal stability of Pd/CA-T catalysts. The T-IWI method developed herein can be applied as a universal approach to prepare highly stable metal oxide-alumina-based supports, which have broad application in environmental catalyst design, especially for automobile exhaust aftertreatment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Autonomous nondestructive evaluation of resistance spot welded joints

The application of non-destructive evaluation approaches has attracted strong interests in modern automotive industries. Here, we present an autonomous deep-computing framework to analyze raw videos from infrared systems and to predict weld nugget shape and size with unprecedented accuracy and speed. In a comprehensive training and testing experiment with 90 videos (seven sets of welding material stack-ups), a new method was developed to assemble sufficient datasets for neural network training. Our framework successfully predicts all the nugget shapes with F1 scores that range from 0.84 to 0.92. The total training time on Nvidia DGX station takes less than 10 min for each set of welding material stack-up. The real inference time of an individual dataset (with 30 video frames) takes about 0.005 s. The procedure and methods developed in the study can be applied to other image-based weld property prediction, as well as other manufacturing processes. Furthermore, our well-trained neural networks take limited memory resources (2.3 MB) and are suitable for embedded microprocessors for in-situ welding quality control as edge computing within an intelligent welding framework.

42 ENGINEERING↗

Ultrasonic Measurements of Temperature Profile and Heat Fluxes in Coal-Fired Power Plants (Final Report)

Many industrial processes are inaccessible or inhospitable to characterization by traditional temperature measurement methods, such as thermocouples, especially over prolonged exposure to harsh environments. Ultrasound is an established characterization technology with diverse applications ranging from medical imaging to therapies to flaw detection to nondestructive evaluation. Ultrasound may characterize solid materials and components noninvasively as a nondestructive evaluation modality and obtain internal measurements of material properties. For example, the speed of ultrasound propagation changes with Young’s modulus and Poisson’s ratio, which can be found from its measurements. Traditional ultrasonic characterization assumes all material properties remain constant with the position. When this assumption holds, a property of interest may be measured by relating it to the speed of ultrasound propagation (or a speed of sound, SOS) and measuring the SOS by timing the ultrasound propagation through a known distance. However, when a property of interest is spatially distributed, the propagation time depends on the SOS changing with the position along the ultrasound propagation path. The multiple temperature distributions may lead to an identical time of flight (TOF). Temperature is one property that impacts the speed of ultrasound and often cannot be assumed to remain constant with the position. Previously, in the context of temperature, we addressed the challenge of ultrasonic characterization of spatially distributed properties by developing a method for measuring segmental temperature distributions (MSTD). This method divides the ultrasonic propagation into segments bound by echogenic features. These features provide ultrasonic interfaces where some energy is reflected toward the receiving transducer, and the rest continues through the medium. The time-of-flight between the echoes reflected from echogenic features characterizes the spatial distribution in the properties of interest in the corresponding segment of the ultrasonic propagation path. This project demonstrated the application of the MSTD method in industrial conditions of the coal-fired power plant. We implemented the MSTD using metals and alloys waveguides, which may be the existing structure for which the temperature distribution is characterized or purposefully designed waveguides added to the structure by welding or other means specifically to quantify thermal properties using the MSTD method. Previous iterations of the MSTD method used ceramic and cementitious waveguides, which significantly attenuate ultrasound. On the other hand, low attenuation in metallic waveguides creates interactions between echogenic features which compilates the signal analysis in the segmental TOF measurements. We have established the WG design principles that minimize the interferences between trailing and primary echoes and, in some cases, eliminate them. The waveguides in which echoes do not interfere improve the timing accuracy and the robustness of ultrasonic measurements of the spatial distributions in material properties. Our emphasis remained on the estimation of the temperature distributions. We have developed general recommendations for designing ultrasonically segmented waveguides with the reduced influence of trailing echoes. Two of our waveguide designs were tested in the industry. The first waveguide was designed for insertion into a combustion zone of the utility-scale coal-fired power plant boiler. The second design allows the characterization of temperature distribution in the direction normal to the boiler’s water wall, a large heat exchanger converting the chemical energy released during combustion to the steam driving the electrical power generation turbines. These waveguides were designed to operate within a restrictive space of thermally insulated water wall and incorporate densely located echogenic features while combatting the influence of trailing echoes. The project has successfully demonstrated the feasibility of using the developed method for accurate, continuous, and robust temperature measurements in extreme environments of power generation and other industrial processes. It, therefore, has achieved its overarching goal of advancing the technology readiness level of the novel Ultrasound Measurements of Segmental Temperature Distribution (US-MSTD) method for real-time measurements of the temperature distribution and heat fluxes closer to commercial availability, developing a prototype multipoint measurement system, and validating its performance on coal-fired utility boilers. The success of this project was achieved in collaboration with the power generator, Rocky Mountain Power, and set the stage for the transfer of this technology from the laboratory to the industry.

01 COAL, LIGNITE, AND PEAT↗

Use of Sobol’ Variance-Based Global Sensitivity Analysis and Multidimensional Legendre Polynomial Fitting for Reduced Order Modeling

Sandia National Laboratories (SNL) has developed a novel reduced order modeling approach. Prioritization of inputs is accomplished using Sobo' indices obtained through a more efficient variance-based global sensitivity analysis. To determine the Sobo' functions, simulated input values are aligned to collocation points to permit the use of Gauss-Lobatto integration, thereby reducing the number of simulation trials needed by more than an order of magnitude compared to standard Monte Carlo approaches. Furthermore, by leveraging the orthogonality of Legendre polynomials in conjunction with those same simulations at the collocation nodes, an efficient fitting method is developed to represent the Sobo' functions from which a reduced order model (ROM) is constructed. The developed method is both more efficient computationally, and the resulting ROM is more accurate. The efficacy of this technique is demonstrated on a nonlinear polynomial test function as well as the nonlinear Ishigami and Sobo' g functions.

97 MATHEMATICS AND COMPUTING↗

Resilient Hydrogels from the Nanoscale to the Macroscale

Biological systems illustrate how a material composed of fragile molecular components can collectively be highly resilient. While the average protein, cell, or even tissue may not last more than a few weeks, many animals and plants live for more than a century. Continual component regeneration and multiple systems to resist mechanical and chemical damage together make this longetivity possible. This project sought to develop biomimetic methods to enable a specific type of material, a hydrogel, to resist damage across multiple scales using distinct, modular damage protection mechanisms. Because hydrogels share many features with biological tissues, they are an ideal substrate for exploring biomimetic strategies for designing resilience and self-repair. We specifically focused in this study on DNA-crosslinked hydrogels, which contain DNA strands that can serve as material to link it together or to control its current state or properties. We investigated how new tools from dynamic DNA nanotechnology could make it possible to actively recover from damage by continually growing and forming a materials shape, or by identifying damage and directing an adaptive response to that damage involving chemical synthesis to reconstruct a structure. We developed embedded molecular sensors able to detect and strain of the gel before damage occurred and react to counteract damage. We also developed methods to continually create shapes and patterns using chemical processes that will allow those patterns to reform when they are damaged. The ability to design resilient materials capable of self-repair has important implications for materials engineering. Instead of designing a material to withstand the worst stresses it may encounter, we could instead design a material to survive under average conditions, but self-repair or reconfigure to resist impending damage. Resilient, self-repairing hydrogels will also have diverse applications such as sensors or actuators.

36 MATERIALS SCIENCE↗

Tensor networks for High Energy Physics: contribution to Snowmass 2021

Tensor network methods are becoming increasingly important for high-energy physics, condensed matter physics and quantum information science (QIS). We discuss the impact of tensor network methods on lattice field theory, quantum gravity and QIS in the context of High Energy Physics (HEP). These tools will target calculations for strongly interacting systems that are made difficult by sign problems when conventional Monte Carlo and other importance sampling methods are used. Further development of methods and software will be needed to make a significant impact in HEP. We discuss the roadmap to perform quantum chromodynamics (QCD) related calculations in the coming years. The research is labor intensive and requires state of the art computational science and computer science input for its development and validation. We briefly discuss the overlap with other science domains and industry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Negative fluxes and cell-miss errors in the random ray method

The random ray method is a recently developed stochastic method for solving neutral particle transport problems based on the method of characteristics. Perhaps surprisingly for a characteristics-based method using flat sources, we note that the random ray method can produce negative fluxes which may be numerically troublesome in several situations. These occur most severely in fixed source problems where the source is in a region with a small cross section. Additionally, we briefly discuss another source of bias which can occur in similar situations, namely a ray missing a mesh with a strong source and small cross section, resulting in the entirety of the source being unphysically deposited locally. This paper describes the mechanism by which negative fluxes may occur and several different methods to mitigate their effects. These fixes are tested on an eigenvalue problem, a ‘fusion-like’ shielding problem, and a shielding problem featuring an adjoint calculation. Even when extremely coarse random ray quadratures are used such that 20%–30% of cells are missed during a given iteration, use of the preferred fix technique ensures local flux tally errors remain trivial (below 1%). The preferred fix is now the default option in SCONE and OpenMC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗