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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 361 records · Page 20
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DOE OSTI2025

An Application of Molecular Recognition for the Efficient Removal of Cesium from Hanford Nuclear Waste by Modular Solvent Extraction

In this work, experimental results leading to flowsheet design are presented showing how a calixarene-crown ether based solvent-extraction process can meet the challenge of cesium removal from nuclear tank wastes stored at the US Department of Energy Hanford site. Cleanup of legacy Cold War nuclear waste stored in underground tanks represents one of the greatest environmental challenges facing the US Department of Energy in terms of risk, cost, and effectiveness of applicable science and technology. Planning for the cleanup at the Hanford Site calls for the removal of the radioactive fission product 137Cs from its alkaline salt waste, including the use of modular processes that can be deployed near the tank farms. To meet the resulting need for extremely high selectivity, the Next-Generation Caustic-Side Solvent Extraction (NG-CSSX) process employing a calix[4]arene-crown ether in modified kerosene has been adapted to remove sub-millimolar cesium in competition with molar sodium and potassium in a high-nitrate alkaline matrix. Potassium loading in the solvent was determined in extraction, scrubbing, and stripping, leading to an empirical model closely approximating cesium distribution ratios for a variety of Hanford waste types. Process chemistry has been developed based on this molecular-recognition approach, focusing on the competitive effect of potassium loading and the mitigating process modifications needed, including extending the scrub section. The result is a modular flowsheet design that can achieve cesium decontamination factors well in excess of 15,000 even for the worst-case Hanford waste.

Williams, Neil [ORNL] (ORCID:000000023159226X)↗
DOE OSTI2022

Model predictive control for robust quantum state preparation

A critical engineering challenge in quantum technology is the accurate control of quantum dynamics. Model-based methods for optimal control have been shown to be highly effective when theory and experiment closely match. Consequently, realizing high-fidelity quantum processes with model-based control requires careful device characterization. In quantum processors based on cold atoms, the Hamiltonian can be well-characterized. For superconducting qubits operating at milli-Kelvin temperatures, the Hamiltonian is not as well-characterized. Unaccounted for physics (i.e., mode discrepancy), coherent disturbances, and increased noise compromise traditional model-based control. This work introduces model predictive control (MPC) for quantum control applications. MPC is a closed-loop optimization framework that (i) inherits a natural degree of disturbance rejection by incorporating measurement feedback, (ii) utilizes finite-horizon model-based optimizations to control complex multi-input, multi-output dynamical systems under state and input constraints, and (iii) is flexible enough to develop synergistically alongside other modern control strategies. We show how MPC can be used to generate practical optimized control sequences in representative examples of quantum state preparation. Specifically, we demonstrate for a qubit, a weakly-anharmonic qubit, and a system undergoing crosstalk, that MPC can realize successful model-based control even when the model is inadequate. These examples showcase why MPC is an important addition to the quantum engineering control suite.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Preserving the Mound Laboratory Legacy-The Mound Cold War Discovery Center - 19550

The Mound Cold War Discovery Center (MCWDC) opened at the former DOE Mound Laboratory in Miamisburg, Ohio, on April 23, 2018, approximately three years after the US Department of Energy (DOE) Office of Legacy Management, Dayton History, the Mound Science and EnergyMuseum Association (MSEMA), and the Mound Development Corporation signed the Mound Educational Center Memorandum of Agreement (MOA). This MOA designated each party's responsibilities for the facility and laid the groundwork for DOE to enter into a Cooperative Agreement with Dayton History to design, build, and perform initial operations of the educational center. Dayton History is a nonprofit organization that operates several historical facilities in Montgomery County, Ohio. The Mound Development Corporation is the nonprofit organization that operates the Mound Business Park, privately owned property previously associated with the former DOE Mound Laboratory. The US Atomic Energy Commission began operations at the Mound Laboratory in 1948 as an integrated research, development, and production facility that supported the nation's weapons and energy programs. In October 2015, DOE entered into a five-year Cooperative Agreement with Dayton History to preserve, protect, and make accessible legacy records and information about the history of the Mound site through the development of an educational center. Years One and Two were for design and construction, respectively. Years Three through Five were for operation of the new center. The new center, located in a building owned by the Mound Development Corporation, would carry on the mission started by the MSEMA, a nonprofit organization started by former Mound site employees more than 15 years ago after DOE mission work ended at the site. As part of the cooperative agreement, Dayton History is responsible for creating interactive displays and exhibits to draw, entertain, and educate the public on the Mound site's significant contributions to the protection of the nation; developing educational programs; and initiating marketing strategies for the long-term sustainability of the educational center. In 2016, parties to the MOA officially named the facility the Mound Cold War Discovery Center. The MCWDC was designed to preserve the history of the Mound site through effective, entertaining, and efficient communication of the history of the Mound Laboratory; the site's legacy to the US weapons production complex and space exploration program; and promote understanding of what has happened at the site since DOE mission work ended, including environmental cleanup under the Comprehensive Environmental Response, Compensation, and Liability Act and the regulator-approved end state of industrial/commercial land use with associated institutional controls. The cooperative agreement requires Dayton History to develop and implement marketing strategies to support the long-term sustainability of the MCWDC at the Mound site. Dayton History will submit a report after the first year of operation and every year thereafter during the period of the cooperative agreement. These reports will describe and status efforts to obtain sustainability and offer for consideration any operational changes, corrections, or suggestions that may improve the potential for sustainability. Prior to the end of the cooperative agreement, a sustainability assessment decision will be made by DOE to determine whether the MCWDC has enough community interest to financially sustain itself at the Mound site. The status of the MCWDC Legacy Fund established by Dayton History will be considered in DoE's assessment determination. If DOE determines that the MCWDC is not sustainable at the Mound site, the exhibits will be relocated to Carillon Historical Park in Dayton, with the five key exhibits that were predetermined in the MOA to be placed on permanent display, thereby maintaining the legacy of the Mound site. Dayton History is required to submit a final closeout report at the end of Year Five of the cooperative agreement. The report will describe all activities completed under the agreement, provide an assessment of how project goals were achieved or not achieved, and describe how the legacy of the site will be preserved. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

ARC-100 Reactor Security-by-Design Summary 2025

This report applies the security-by-design methodology developed in a previous National Nuclear Security Administration–sponsored work to the ARC-100, a sodium-cooled fast reactor (SFR) being developed by ARC Clean Technology, Inc (ARC). The report contains no proprietary information specific to the ARC 100 reactor. The insights developed in this report are high-level, and generally applicable to other sodium fast reactor designs. The information presented here is the result of a qualitative safety-based analysis and would not inform any potential adversary beyond what would be found in a docketed safety analysis report. The scope of this present report covers ARC-100’s reactor core, used fuel storage, used fuel assembly wash station, cesium trap, sodium cold trap, noble gas decay tanks, used fuel dry storage facility, damaged fuel storage facility, and radioactive waste building. These systems are also compared to a generic SFR design assumed in the previous study. The security assessment results show changes in structures, systems, and components (SSCs) safety importance relative to the generic SFR SSCs. Several SSCs have higher importance rankings than others, and it is recommended that protection efforts are prioritized for these SSCs. Results from this work will furnish a technical justification for the feasibility of these solutions for the ARC reactor's design and, where applicable, identify any regulatory benefits conferred by the proactive design aspect within a risk management framework. This initiative will contribute to a more secure design of the ARC reactor and support its licensing process.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗
DOE OSTI2023

Explicit dispersion relations for warm fluid waves in a uniform plasma (invited)

Classical dispersion relations for waves in a fluid plasma are expressed as implicit functions of wave frequency and wave- number. The implicit dispersion relation must in general be solved numerically. This work introduces an astute method for obtaining an explicit dispersion relation for waves in a fluid plasma. The explicit expression has an advantage of providing eigenmodes without numerical computations and giving a dispersion relation more detailed than the implicit expression. As in the case of cold waves, the wavenumber for an arbitrary frequency can be directly obtained from the explicit formula. The explicit formula also enables an accurate evaluation of finite-temperature effects on a dispersion relation even near the cyclotron resonance, where a numerical analysis of the implicit relation is impractical. As a result, the analytic formula can be used to investigate temperature effects on electromagnetic waves.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Adiabatic and isothermal configurations for Re 4 Si 7 transverse thermoelectric power generators

We report that transverse thermoelectric generators (TTEGs) have the potential to overcome two challenging problems that limit the commercial application of classical thermoelectric generators (TEGs): the significant irreversible efficiency losses in the contacts and the thermal degradation of the contacts at the hot end. TTEGs are built from a single material that can generate a thermoelectric current in a direction that is orthogonal to a temperature gradient. They only require a single set of contacts that are displaced away from the hot end. Here, we experimentally explore the device design considerations for optimizing the performance of this far less explored class of thermal-to-electric generation devices. We fabricate Re 4 Si 7 TTEGs and show that there is no measurable loss in efficiency with a single set of contacts that are midway between the hot and cold ends. We show that a new effect must be considered: the appearance of transverse thermal gradients that lead to significant differences between the performance of TTEGs implemented in isothermal and adiabatic geometries. The isothermal TTEG configuration leads to much higher device efficiencies. Overall, this work highlights how different the design of TTEGs is from that of conventional TEGs and the importance of controlling the device geometry for optimum waste heat recovery.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Dissipative Dark Substructure: The Consequences of Atomic Dark Matter on Milky Way Analog Subhalos

Using cosmological hydrodynamical zoom-in simulations, we explore the properties of subhalos in Milky Way analogs that contain a subcomponent of atomic dark matter (ADM). ADM differs from cold dark matter (CDM) due to the presence of self-interactions that lead to energy dissipation, analogous to standard model baryons. This model can arise in dark sectors that are natural and theoretically motivated extensions to the standard model. The simulations used in this work were carried out using GIZMO and utilize the FIRE-2 galaxy formation physics in the standard model baryonic sector. For the parameter points we consider, the ADM gas cools efficiently, allowing it to collapse to the center of subhalos. This increases a subhalo's central density and affects its orbit, with more subhalos surviving small pericentric passages. The subset of subhalos that host satellite galaxies have cuspier density profiles and smaller stellar half-mass radii relative to CDM. The entire population of dwarf galaxies produced in the ADM simulations is more compact than those seen in CDM simulations, unable to reproduce the entire diversity of observed dwarf galaxy structures. Additionally, we also identify a population of highly compact subhalos that consist nearly entirely of ADM and form in the central region of the host, where they can leave distinctive imprints in the baryonic disk. This work presents the first detailed exploration of subhalo properties in a strongly dissipative dark matter scenario, providing intuition for how other regions of ADM parameter space, as well as other dark sector models, would impact galactic-scale observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Galaxy Size and Rotation Curve Diversity in ΛCDM with Baryons

The observed rotation curves of dwarf galaxies exhibit significant diversity at fixed halo mass, challenging galaxy formation within the cold dark matter (CDM) model. Previous cosmological galaxy formation simulations with baryonic physics fail to reproduce the full diversity of rotation curves, suggesting that there is a flaw in baryonic feedback models, observational bias, or that an alternative to CDM must be invoked. In this work, we use the Marvelous Massive Dwarf zoom-in simulations, a suite of high-resolution dwarf simulations with M 200 ∼ 10 10 –10 11 M ⊙ and M * ∼ 10 7 –10 9 M ⊙ , designed to target the mass range where the galaxy rotation curve diversity is maximized, i.e., between and 100 km s −1 . We add to this a set of low-mass galaxies from the Marvel Dwarf Zoom Volumes to extend the galaxy mass range to lower values. Our fiducial star formation and feedback models produce simulated dwarfs with a broader range of rotation curve shapes, similar to observations. These simulations both create dark matter cores via baryonic feedback, reproducing the slower-rising rotation curves, while also allowing for compact galaxies and steeply rising rotation curves. Our simulated dwarfs also reproduce the observed size–M * relation, including scatter, producing both extended and compact dwarfs for the first time in simulated field dwarfs. However, the slowly rising and high baryon mass fraction, as well as the steeply rising and low baryon mass fraction, remain missing. We explore star formation and feedback models and conclude that previous simulations may have had feedback that was too strong to produce compact dwarfs.

Cruz, Akaxia [Flatiron Institute, New York, NY (Un↗
DOE OSTI2019

The Importance of Viscous and Interfacial Forces in the Hydrodynamics of the Top-Submerged-Lance Furnace

The purpose of this work is to focus on the hydrodynamics of a Top-Submerged-Lance (TSL) smelting furnace, understanding how liquid properties and operational parameters act on key factors of a TSL process, such as splashing, mixing, mass transfer area, and bubble development. A deep knowledge of all those aspects is needed since they all influence the smelting reaction rates; hence the efficiency of the reactor. The characterization and scaling of the TSL gas injection are commonly based on the modified Froude number, the ratio of dynamic and gravitational forces. Detailed literature research reveals a potential weakness of this approach, since it does not consider the effects of viscosity and surface tension. To investigate this question an extensive parametric study was performed applying computational fluid dynamics to cold and non-reactive flows, which provided a broad overview of the physics of the flow. The analysis was performed on fluid dynamic properties (liquid density, liquid viscosity, surface tension) and operational variables (gas volume flow, lance immersion depth). The coupled Level Set—Volume of Fluid model, available in the commercial solver ANSYS Fluent{sup ®}, was used to resolve the gas–liquid interface in the multiphase flow. The results of the work underscore the significance of the viscous and interfacial forces for gas injection in smelting slags, confirming the incompleteness of applying only the Froude number to describe such flows.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Suitable low Global Warming Potential (GWP) refrigerants for two-speed Heat Pumps for residential applications based on speed Heat Pumps for residential applications based on simulated performance simulated performance

Cold climate Heat Pumps (CCHPs) using single-speed compressors in tandem have been successfully built and tested to reach its performance metrics with outdoor temperatures as low as -25°C. CCHPs must be designed to alleviate the problems of too high discharge temperatures, low suction pressure and high-pressure ratio at low ambient conditions and insufficient heating capacity relative to the heating capacity at 8.3°C. In this paper we recognize those concerns. Low-GWP refrigerants are screened based on the shape of their T-S saturation boundary. Simulations of the performance of low-GWP refrigerants (R32, R454B, R466A, and R452B) relative to R410A is done using the DOE/ORNL Heat Pump Design Model at the component level. Systemic inefficiency, the root cause of lost work, is addressed by component-level exergy analysis to refine design options. CCHPs using low-GWP refrigerants addresses issues of reducing energy consumption, lowering carbon footprint, and enabling environmentally sustainability. The CCHP was designed to meet a HSPF > 11.0 and SEER > 15.0 having adequate heat pump heating capacity down to -25°C. It is estimated that at least 2.6 million U.S homes using electric furnaces and heat pumps in cold or very old climates with an annual energy consumption of 0.17EJ would benefit by CCHPs.

Ally, Moonis↗
DOE OSTI2022

Experiments and modeling to evaluate global reaction kinetics of three-way catalyst light off for net-zero carbon fuels and selected fuel blends

Internal combustion engine exhaust composition can have a significant impact on the light-off characteristics of CO, NO, and organics in the three-way-catalyst during cold-start. The U.S. Department of Energy’s Co-Optimization of Fuels and Engines initiative was aimed at developing new high-performance fuels, which raises the question of how current three-way-catalysts will perform if the exhaust composition is significantly changed. This work is aimed at quantifying the performance of the catalyst under a variety of different fuel components and mixtures. To this end, a reduced-order model is developed wherein the set of organics examined are placed into molecular groups based on their reactivities and to model each organic within that group with a common kinetic expression. In conclusion, this strategy allows for a first approximation to the light-off characteristics of all organics that fall within that group and to make predictions for fuel blends.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Elucidating the photodissociation fingerprint and quantifying the determination of organic hydroperoxides in gas-phase autoxidation

Hydroperoxides are formed in the atmospheric oxidation of volatile organic compounds, in the combustion autoxidation of fuel, in the cold environment of the interstellar medium, and also in some catalytic reactions. They play crucial roles in the formation and aging of secondary organic aerosols and in fuel autoignition. However, the concentration of organic hydroperoxides is seldom measured, and typical estimates have large uncertainties. In this work, we developed a mild and environmental-friendly method for the synthesis of alkyl hydroperoxides (ROOH) with various structures, and we systematically measured the absolute photoionization cross-sections (PICSs) of the ROOHs using synchrotron vacuum ultraviolet-photoionization mass spectrometry (SVUV-PIMS). A chemical titration method was combined with an SVUV-PIMS measurement to obtain the PICS of 4-hydroperoxy-2-pentanone, a typical molecule for combustion and atmospheric autoxidation ketohydroperoxides (KHPs). We found that organic hydroperoxide cations are largely dissociated by loss of OOH. This fingerprint was used for the identification and accurate quantification of the organic peroxides, and it can therefore be used to improve models for autoxidation chemistry. The synthesis method and photoionization dataset for organic hydroperoxides are useful for studying the chemistry of hydroperoxides and the reaction kinetics of the hydroperoxy radicals and for developing and evaluating kinetic models for the atmospheric autoxidation and combustion autoxidation of the organic compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Understanding the Role of Tropical Moisture in Atmospheric Rivers

There has been a long-standing debate about whether tropical moisture export (TME) or local moisture convergence play the dominant role in the development and strength of Atmospheric Rivers (ARs). In this work, we quantify the contribution of TME to 29 simulated extreme ARs that affected the U.S. Northwest Coast by “tagging” tropical moisture using water vapor tracers in the Weather Research and Forecast (WRF) model. From a case study with strong TME, we find three mechanisms by which TME can contribute to AR strength: direct contribution of moisture, indirect contributions via thermodynamic feedbacks and indirect contributions via synoptic-scale dynamic feedbacks. Focusing on these processes, we divide the 29 simulated ARs into two groups (>25% of TME contribution to inland precipitation as TME-ARs and <25% as NTME-ARs) and find that TME-ARs are characterized by stronger pre-cold-frontal low-level jets and stronger warm air advection. Notably, the ARs with the greatest 2-day precipitation are found to be TME-ARs but with <50% TME contributions, indicating a more dominant role of indirect enhancement of local moisture convergence due to TME than the direct moisture contribution supplying precipitation.

Hu, Huancui↗
DOE OSTI2021

The Simons Observatory: modeling optical systematics in the Large Aperture Telescope

We present geometrical and physical optics simulation results for the Simons Observatory Large Aperture Telescope. This work was developed as part of the general design process for the telescope, allowing us to evaluate the impact of various design choices on performance metrics and potential systematic effects. The primary goal of the simulations was to evaluate the final design of the reflectors and the cold optics that are now being built. We describe nonsequential ray tracing used to inform the design of the cold optics, including absorbers internal to each optics tube. We discuss ray tracing simulations of the telescope structure that allow us to determine geometries that minimize detector loading and mitigate spurious near-field effects that have not been resolved by the internal baffling. We also describe physical optics simulations, performed over a range of frequencies and field locations, that produce estimates of monochromatic far-field beam patterns, which in turn are used to gauge general optical performance. Finally, we describe simulations that shed light on beam sidelobes from panel gap diffraction.

Gudmundsson, Jon E. (ORCID:0000000317600355)↗
DOE OSTI2020

The Simons Observatory: Modeling Optical Systematics in the Large Aperture Telescope

We present geometrical and physical optics simulation results for the Simons Observatory Large Aperture Telescope. This work was developed as part of the general design process for the telescope; allowing us to evaluate the impact of various design choices on performance metrics and potential systematic effects. The primary goal of the simulations was to evaluate the final design of the reflectors and the cold optics which are now being built. We describe non-sequential ray tracing used to inform the design of the cold optics, including absorbers internal to each optics tube. We discuss ray tracing simulations of the telescope structure that allow us to determine geometries that minimize detector loading and mitigate spurious near-field effects that have not been resolved by the internal baffling. We also describe physical optics simulations, performed over a range of frequencies and field locations, that produce estimates of monochromatic far field beam patterns which in turn are used to gauge general optical performance. Finally, we describe simulations that shed light on beam sidelobes from panel gap diffraction.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Carnot Analysis of Heat Pump Drying: Ideal Efficiency and Dry Time

Drying processes are important in appliances and in industry, and clothes drying accounts for approximately 3% of residential primary energy consumption in the US. Globally, heat pump tumble dryers (HPD) are increasing their market share against the ubiquitous electric resistance tumble dryer (ERD). In this work, efficiency and dry time limits are defined for ideal HPDs, for both closed air cycle (unvented) and open air cycle (vented). These limits are compared with the limits for ERD. The traditional Carnot efficiency limit for an ideal heat pump, operating between a hot and a cold thermal reservoir, does not apply directly to clothes dryers. One reason dryers require a novel analysis is the presence of additional degrees of freedom, since the hot and cold temperatures are floating, unfixed by ambient conditions. Furthermore, dryers can operate in a closed or open air cycle, and each requires a different analysis. In the closed (unvented) case, the hot and cold temperatures are coupled to each other; while in the open (vented) case, the hot and cold temperatures are both independent free variables. This paper provides an analysis of the fundamental efficiency limits of ERDs and HPDs, which can inform the design and performance limits of evaporative drying technology.

Gluesenkamp, Kyle↗
DOE OSTI2024

Towards an understanding of particle-scale flaws and microstructure evolution in cold spray via accumulation of single particle impacts

Cold spray coatings are the sum of countless individual bonding events between single particles impacting on top of one another at high velocities. Thus, the collective behavior of microparticles must be considered to elucidate the origins of coating flaws at the scale of the particles and larger, or the dynamic evolution of the overall coating microstructure. Laser-induced particle impact testing (LIPIT) has been extensively used to study single-particle impacts, and in this work is adapted to study the accumulation of numerous particles with knowledge of each individual particle's impact parameters (particle size, velocity). The method reproducibly deposits stacks of gold particles (>20 particles) with different characteristic spectra of impact velocity. The observation of impact-induced erosion lets us define a critical velocity for material-build-up that is higher than that for single-particle bonding. The quantitative single-particle data are analyzed in a correlative manner to the structure and flaws in the resulting stacks, providing some first statistical connections between, e.g., strain and recrystallization, or aberrant particle characteristics and defects. The results highlight opportunities for the study of many-particle phenomena in microparticle impact—from interaction of particles in cold spray to multi-step erosion processes—with a quantitative view of the behavior of single particles.

Erosion↗