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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 379 records · Page 21

Integrating Tide‐Driven Wetland Soil Redox and Biogeochemical Interactions Into a Land Surface Model

Abstract Redox processes, aqueous and solid‐phase chemistry, and pH dynamics are key drivers of subsurface biogeochemical cycling and methanogenesis in terrestrial and wetland ecosystems but are typically not included in terrestrial carbon cycle models. These omissions may introduce errors when simulating systems where redox interactions and pH fluctuations are important, such as wetlands where saturation of soils can produce anoxic conditions and coastal systems where sulfate inputs from seawater can influence biogeochemistry. Integrating cycling of redox‐sensitive elements could therefore allow models to better represent key elements of carbon cycling and greenhouse gas production. We describe a model framework that couples the Energy Exascale Earth System Model (E3SM) Land Model (ELM) with PFLOTRAN biogeochemistry, allowing geochemical processes and redox interactions to be integrated with land surface model simulations. We implemented a reaction network including aerobic decomposition, fermentation, sulfate reduction, sulfide oxidation, methanogenesis, and methanotrophy as well as pH dynamics along with iron oxide and iron sulfide mineral precipitation and dissolution. We simulated biogeochemical cycling in tidal wetlands subject to either saltwater or freshwater inputs driven by tidal hydrological dynamics. In simulations with saltwater tidal inputs, sulfate reduction led to accumulation of sulfide, higher dissolved inorganic carbon concentrations, lower dissolved organic carbon concentrations, and lower methane emissions than simulations with freshwater tidal inputs. Model simulations compared well with measured porewater concentrations and surface gas emissions from coastal wetlands in the Northeastern United States. These results demonstrate how simulating geochemical reaction networks can improve land surface model simulations of subsurface biogeochemistry and carbon cycling.

54 ENVIRONMENTAL SCIENCES↗

Control of core–shell nanoparticles properties through plasma synthesis: a computational study

The improved properties of core–shell nanoparticles (CSNPs) over homogeneous nanoparticles (NPs) have expanded and diversified the applications of these nanomaterials. However, controlling the properties of CSNPs can be a challenging task. Low temperature plasmas have proven to be an effective method of producing NPs with uniform size and morphology, and high yield. That said, NP transport and growth dynamics are sensitive to LTP properties. We report on a computational investigation of the evolution of Ge–Si CSNP properties as a function of operating conditions through the modeling of a flowing, two-zone inductively coupled plasma (ICP) reactor. Ar/GeH 4 and Ar/SiH 4 gas mixtures were supplied to separate plasma zones at a pressure of 1 Torr to promote growth of Ge cores and Si shells. The negatively charged CSNPs are trapped electrostatically in the vicinity of the antennas where the plasma is generated and where the majority of particle growth occurs. Particles that grow to a critical size are then de-trapped by fluid drag due to neutral gas flow. A two-dimensional hybrid plasma model coupled with a three-dimensional kinetic NP transport model were utilized to resolve plasma chemistry and NP growth processes that take place on distinct timescales. The trends in CSNP properties and trapping mechanisms associated with flow rate, applied ICP power and inlet precursor fraction are discussed. While the spatial distribution of plasma produced radical species can have significant impact on the NP growth process, the NP transport dynamics are what ultimately dictates the growth environment that is unique to each particle and so determines their final dimension and composition. The key to optimizing reactor conditions involves controlling the spatial density of growth species and plasma profile as a means to tailor particle trapping dynamics suitable to produce CSNPs for a specific application.

36 MATERIALS SCIENCE↗

Hyporheic‐Zone Processes and Stream Oxygen Dynamics: Insights From a Multiscale Reactive Transport Model

Aquatic ecosystem metabolism encapsulates the daily fixation (gross primary production, GPP d ) and mineralization (ecosystem respiration, ER d ) of organic carbon. In fluvial systems, these are commonly estimated by inverse solutions to field observations using a model that describes oxygen concentrations varying in the water column in response to metabolic fluxes and air‐water gas exchange controlled by a rate coefficient (K 600 ). The most common conceptual model is the single‐station metabolism (SSM) model. The simplicity and flexibility of this conceptualization make it attractive; however, it implicitly assumes that all the processes that consume oxygen in fluvial systems can be lumped into a bulk estimate of respiration with poorly understood consequences for estimates of GPP d , ER d , and K 600 . Here, we focus on the implications of using SSM conceptualization when estimating metabolic fluxes from oxygen dynamics in channels where hyporheic exchange occurs. We use a new multiscale numerical model for reactive transport in streams that represents hyporheic exchange and streambed heterotrophic respiration. Nondimensionalization of this model reveals dimensionless groups that collectively control oxygen dynamics. Numerical experiments offer a mechanistic understanding of the impacts of hyporheic exchange on diel oxygen dynamics revealing that potential biases arise from neglecting mass transfer limitations. Specifically, we found that hyporheic exchange significantly affects diel oxygen dynamics, even for nonreactive streambed sediments. Moreover, while the SSM performs well in many situations, we find conditions where significant bias is produced by hyporheic exchange, even when oxygen data are well‐fitted. These situations pose a major challenge in the interpretation of metabolism assessment estimates.

Gomez‐Velez, Jesus D. [Oak Ridge National Laborato↗

Constraints on dark matter from dynamical heating of stars in ultrafaint dwarfs. I. MACHOs and primordial black holes

We place limits on dark matter made up of compact objects significantly heavier than a solar mass, such as MACHOs or primordial black holes (PBHs). In galaxies, the gas of such objects is generally hotter than the gas of stars and will thus heat the gas of stars even through purely gravitational interactions. Ultrafaint dwarf galaxies (UFDs) maximize this effect. Observations of the half-light radius in UFDs thus place limits on MACHO dark matter. We build upon previous constraints with an improved heating rate calculation including both direct and tidal heating, and consideration of the heavier mass range above 10 4 M ⊙ . Additionally we find that MACHOs may lose energy and migrate in to the center of the UFD, increasing the heat transfer to the stars. UFDs can constrain MACHO dark matter with masses between about 10 M ⊙ and 10 8 M ⊙ and these are the strongest constraints over most of this range. Published by the American Physical Society 2024

Graham, Peter W. (ORCID:0000000216001601)↗

Computational Fluid Dynamics Analysis of the Molten Salt Tritium Transport Experiment Test Section

Tritium, a radionuclide produced through neutron capture by lithium and other elements (beryllium and fluoride) in molten salts, presents unique challenges to radionuclide release. This is true for both fusion energy breeder blankets and molten salt fission reactors. The fundamental understanding of tritium transport is crucial to the safe design and operation of these reactors. The Molten Salt Tritium Transport Experiment (MSTTE), currently under construction at Idaho National Laboratory, aims to investigate tritium transport phenomena using a forced-convection fluoride salt loop. This loop is designed to study various transport mechanisms, such as permeation through metals and gas-liquid interactions, and is intended to support future research on tritium extraction units. A critical aspect of the MSTTE loop design is ensuring a fully developed velocity profile before the fluid reaches the permeation test section where measurements are made. This study employs computational fluid dynamics to model the salt flow behavior within the MSTTE permeation test section. A realizable k-ε turbulent model with enhanced wall treatment is used to simulate the single-phase, vertical upward flow of molten salt FLiNaK under isothermal conditions. The simulation results indicated flow distortion and underdeveloped profiles at all planned flow rates within the test section due to the 85-deg sharp bend. To address this issue, a reduced diameter with a reducer and expander and a flow conditioner are investigated to achieve fully developed flow. The analysis showed that the flow conditioner successfully corrected the flow profile, achieving fully developed behavior at a flow rate of 50 liters per minute (LPM). In conclusion, this research enhances our understanding of flow dynamics in molten salt systems and contributes to optimizing tritium transport control technologies.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Probing Supercritical Phase Transition using Ultrafast X-ray Diagnostics (Final Technical Report)

Over recent years, several hypotheses have been put forward to elucidate supercritical transition states. Despite significant progress on the fundamental understanding of fluids at these supercritical conditions, important questions concerning the microstructure and dynamical processes remain. A particular research issue is hereby the fundamental understanding of the morphology of the molecular microstructure and its effect on the macroscopic behaviour and thermodynamic response functions. It is widely believed that the supercritical state is homogeneous without structural and dynamic observables to distinguish between a liquid and a vapor. However, recent investigations have identified regions of distinct liquid-like or vapor-like properties even under supercritical conditions. Specifically, it was shown that the transition between liquid-like and vapor-like states occurs across an extension to the coexistence line, marked by almost discontinuous changes in fluid properties. This transition was first identified experimentally by Nishikawa and Tanaka and stands in contrast to the classical presentation of the supercritical state space as a featureless, homogeneous domain. Structurally, the most important properties of supercritical fluids are the dynamic heterogeneities and local density fluctuations that are present within the fluid state at the microscopic level. These inhomogeneities are associated with the formation of molecular clusters of various sizes with liquid-like properties separated by voids of unbound gas-phase molecules which continuously restructure itself at picosecond timescales. By utilizing ultrafast X-ray Photon Correlation Spectroscopy (XPCS) at the Linac Coherent Light Source (LCLS) and X-ray synchrotron measurements as an experimental probe of these structural changes at the molecular level we seek to elucidate the higher-order phase transition from a liquid-like to a vapor-like state in the region extending the critical point. Open questions we seek to address particularly with XPCS are: (i) the underlying mechanisms responsible for the density fluctuations at supercritical conditions and how these dynamical processes at the molecular level affect the thermodynamic response functions and (ii) on what timescales do dynamical processes evolve that are associated with thermalization, molecular diffusion, and intermolecular cluster transfer.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

IoT-based retrofit information diffusion in future smart communities

Community-scale building retrofits are not merely scaled-up versions of single-building retrofits. They involve complex challenges, such as reconciling individual interests with collective goals and managing the dynamic interplay between buildings through mechanisms like power grids and social connections. Internet of Things (IoT) connectivity holds the potential to leverage these interplays to balance individual and collective interests effectively in smart communities. One critical aspect of this interplay is information diffusion, which shapes how retrofit decisions spread among neighbors, influencing individual choices and ultimately impacting community-level retrofit outcomes. In other words, IoT-based smart devices automatically push tailored retrofit notifications to homeowners, which completely changes the format of information diffusion in the future. To investigate this influence by such information diffusion, the study used CityBES to simulate energy performance for different retrofits and applied an information diffusion model to analyze how decisions spread in a networked community of 192 buildings. The diffusion process was modeled on a weighted, directed network, capturing the dynamics of information flow and decision-making across 16 scenarios. Individual retrofit benefits were evaluated through payback years, while community-level retrofit outcomes were assessed using greenhouse gas (GHG) emission reductions. The results demonstrate that easier information diffusion among neighbors encourages households to prioritize retrofit measures that align with the majority’s optimal choices, even at the expense of individual financial benefits. In this case, such collective prioritization enhanced community-level retrofit performance, increasing GHG emission reductions by up to 29.4 %. However, this improvement came with trade-offs, as the average payback period for households extended by approximately 1.74 years. These findings highlight the potential of IoT-based information diffusion in future smart communities to coordinate individual interests with collective goals, ultimately accelerating community-level building retrofits.

Shu, Lei↗

Flow instabilities in helical-coil steam generators for small modular reactors: A review

Here, this study covers the research and discoveries in two-phase flow-boiling instabilities available in the literature—specifically for a helical-coil steam generator (HCSG), including experimental findings, theoretical research, computational models, and system code analyses—supporting research and development of representative small modular reactors (SMRs). Like other new and advanced reactor systems, water-cooled SMRs require experimental data from both integral and separate thermal-hydraulics test facilities for the verification and validation (V&V) of the computational models and computer codes in order to design and obtain regulatory approval. The complex dynamics of two-phase flow-boiling instabilities includes flow regimes physics phenomena, flow-channel geometries, heat-transfer behavior, and interactions among the solid–liquid-gas within the system boundary, all of which are pivotal for understanding the design and operational challenges of SMRs. This study focuses on identifying the relevant knowledge gaps on boiling instabilities—specifically for a HCSG—and provides insights about future research direction optimizing the transport of thermal energy, mass-flow rates, and boundary conditions that ensure the adequate heat-transfer performance, operational stability, and safety associated with SMR systems.

20 FOSSIL-FUELED POWER PLANTS↗

Novel Design and Fabrication of a High Frequency Transient Heat Flux Sensor for Use in an RDE

Rotating detonation engine (RDE) combustion systems have been a topic of interest in the pressure gain combustion community for their benefits over traditional gas turbine engine combustors. However, cooling requirements for these engines are significantly higher and less predictable than non-detonating engines. To understand the high-speed heat transfer dynamics inside an RDE, a novel, high-frequency heat flux gage is presented. This study aims to design a robust, single-sided sensor that can withstand the high temperature and harsh environment of an RDE for extended durations. Sensor bench testing is performed using a hot plate as a heat source, and the sensor response is compared to a finite-element analysis (FEA) model. The sensor response is then tested inside a water-cooled RDE and the wall heat flux is compared to calorimetry data.

rotating detonation engines↗

Novel Design and Fabrication of a High Frequency Transient Heat Flux Sensor for Use in an RDE

Rotating detonation engine (RDE) combustion systems have been a topic of interest in the pressure gain combustion community for their benefits over traditional gas turbine engine combustors. However, cooling requirements for these engines are significantly higher and less predictable than non-detonating engines. To understand the high-speed heat transfer dynamics inside an RDE, a novel, high-frequency heat flux gage is presented. This study aims to design a robust, single-sided sensor that can withstand the high temperature and harsh environment of an RDE for extended durations. Sensor bench testing is performed using a hot plate as a heat source, and the sensor response is compared to a finite-element analysis (FEA) model. The sensor response is then tested inside a water-cooled RDE and the wall heat flux is compared to calorimetry data.

rotating detonation engines↗

Structurally Driven Selective Adsorption of Hydrocarbons by Metal Substitution in Isostructural Rare-Earth Metal–Organic Frameworks

The design and realization of highly selective nanoporous materials are necessary to target critical separations across industries. By leveraging pore size, pore shape, and linker functionalization, the design of nanoporous solid adsorbents will enable the rapid production of energy efficient separation materials for high-value gas mixtures. This study uses a combination of modeling, synthesis, and gas adsorption testing to investigate a new class of small-pore isostructural rare-earth (RE) 2,5-dihydroxyterephthalic acid (DOBDC) metal–organic frameworks (MOFs) (RE: Pr-, Gd-, Er-, Yb; DOBDC = 2,5-dihydroxyterephthalic acid) and their adsorption selectivity for acetylene/ethylene mixtures. Density functional theory simulations identified that selective binding of acetylene over ethylene in the Gd-, Er-, and Yb-DOBDC MOFs was due to hydrogen-bonding between acetylene and the linker hydroxyl. Adsorption experiments validated the computational results by identifying mechanisms that control the acetylene/ethylene adsorption selectivity and high acetylene adsorption. Furthermore, dynamic column breakthrough experiments with the Gd-DOBDC MOF validated the simulations and indicated that ethylene can be separated from acetylene in a mixture containing 1 vol % acetylene and 39 vol % ethylene (balance argon). In conclusion, the results highlight the complexity of gas binding in functional porous materials and how combining modeling and experiment enables a fundamental understanding of gas–framework interactions that can be leveraged for the design of future separation materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Catalytic Resonance Theory: Experimental and Kinetic Interpretation of Programmable Catalysis

The complexity of programmable catalysts that change in the physical or electronic state on the time scale of a catalytic turnover results in uncertainty in the kinetic outcome of common measurements with dynamic catalyst experiments. To provide an interpretation of utility to experimentalists, a general programmable catalytic reaction exhibiting high turnover efficiency was simulated to understand the kinetic behavior of catalysts with varying frequency, binding energy, oscillation amplitude, and minimum oscillation binding energy at different temperatures and reactant gas pressures. The time-averaged catalytic rate for varying temperature in the form of an Arrhenius plot exhibited three distinct kinetic regimes, with the intermediate temperatures or applied frequencies exhibiting zero slope, indicative of barrier-free kinetic control. Transitions in experimentally measurable kinetic regimes with both temperature and applied catalyst oscillation frequency were associated with transitions in the sensitivity of reaction rate constants and degrees of rate control. Furthermore, these distinct kinetic macroscopic features specific to programmable catalysts were identified for observation in experimental dynamic kinetic measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Benchmarking the Suitability of Novec$^{\mathrm{TM}}$ 4710 for Application in Flux Compression Generators

Here, an experimental study evaluated the feasibility of replacing traditional insulating gases such as SF 6 with C 4 F 7 N (3M TM , Novec 4710) in flux compression generator (FCG) applications. Currently available data indicate that Novec 4710 could offer certain performance benefits over SF 6 . However, the available literature is focused on low frequency (50–60 Hz) and dc at static pressures. To evaluate the performance of Novec 4710 under the pulsed dynamic pressure and temperature conditions found in an FCG, we report a performance comparison between three sets of identical FCGs using air, SF 6 , and Novec 4710 as the insulating gas. The generators used in this study had a single stage, directly seeded design with an armature diameter of 25 mm and a stator diameter of 46 mm. To highlight the performance of the different gases rather than any wire insulation, the stator was constructed with uninsulated wire. Furthermore, the generators were seeded aggressively, making the performance difference between the different gases more apparent. The performance was monitored with a pair of differential Rogowski coils that captured the generators’ di / dt while also using high-speed videography to capture possible gaseous breakdown signatures. The data gathered during this study indicate that Novec 4710 performs at least as well as SF 6 in FCG applications, if not significantly better.

42 ENGINEERING↗

Jets with a Twist: The Emergence of FR0 Jets in a 3D GRMHD Simulation of Zero-angular-momentum Black Hole Accretion

Abstract Spinning supermassive black holes (BHs) in active galactic nuclei magnetically launch relativistic collimated outflows, or jets. Without angular momentum supply, such jets are thought to perish within 3 orders of magnitude in distance from the BH, well before reaching kiloparsec scales. We study the survival of such jets at the largest scale separation to date, via 3D general relativistic magnetohydrodynamic simulations of rapidly spinning BHs immersed into uniform zero-angular-momentum gas threaded by a weak vertical magnetic field. We place the gas outside the BH sphere of influence, or the Bondi radius, chosen to be much larger than the BH gravitational radius, R B = 10 3 R g . The BH develops dynamically important large-scale magnetic fields, forms a magnetically arrested disk (MAD), and launches relativistic jets that propagate well outside R B and suppress BH accretion to 1.5% of the Bondi rate, M ̇ B . Thus, low-angular-momentum accretion in the MAD state can form large-scale jets in Fanaroff–Riley (FR) type I and II galaxies. Subsequently, the disk shrinks and exits the MAD state: barely a disk (BAD), it rapidly precesses, whips the jets around, globally destroys them, and lets 5%–10% of M ̇ B reach the BH. Thereafter, the disk starts rocking back and forth by angles 90°–180°: the rocking accretion disk (RAD) launches weak intermittent jets that spread their energy over a large area and suppress BH accretion to ≲2% M ̇ B . Because the BAD and RAD states tangle up the jets and destroy them well inside R B , they are promising candidates for the more abundant, but less luminous, class of FR0 galaxies.

Astronomy & Astrophysics↗

Stochastic finite volume method for uncertainty quantification of transient flow in gas pipeline networks

We develop a weakly intrusive framework to simulate the propagation of uncertainty in solutions of generic hyperbolic partial differential equation systems on graph-connected domains with nodal coupling and boundary conditions. The method is based on the Stochastic Finite Volume (SFV) approach and can be applied for uncertainty quantification (UQ) of the dynamical state of fluid flow over actuated transport networks. The numerical scheme has specific advantages for modeling intertemporal uncertainty in time-varying boundary parameters, which cannot be characterized by strict upper and lower (interval) bounds. We describe the scheme for a single pipe, and then formulate the controlled junction Riemann problem (JRP) that enables the extension to general network structures. In conclusion, we demonstrate the method's capabilities and performance characteristics using a standard benchmark test network.

97 MATHEMATICS AND COMPUTING↗

RAVEN Template for Dynamic Representativity Analysis of the High Temperature Test Facility

These slides present a walkthrough of the template that has been developed for using RAVEN to perform representativity analysis using models of the High Temperature Test Facility and the General Atomics Modular High Temperature Gas-cooled Reactor. The presentation provides participants in the HTTF benchmark with a walkthrough on how to use RAVEN for their sensitivity analysis and how to read results from the MHTGR-350 to perform representativity

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

Ultrafast temporal phase-resolved nonlinear optical spectroscopy in the molecular frame

In an ultrafast nonlinear optical interaction, the electric field of the emitted nonlinear signal provides direct access to the induced nonlinear transient polarization or transient currents and thus carries signatures of ultrafast dynamics in a medium. Measurement of the electric field of such signals offers sensitive observables to track ultrafast electron dynamics in various systems. In this work, we resolve the real-time phase of the electric field of a femtosecond third-order nonlinear optical signal in the molecular frame. The electric field emitted from impulsively pre-aligned gas-phase molecules at room temperature, in a degenerate four-wave mixing scheme, is measured using a spectral interferometry technique. The nonlinear signal is measured around a rotational revival to extract its molecular-frame angle dependence from pump-probe time-delay scans. By comparing these measurements for two linear molecules, carbon dioxide and nitrogen, we show that the measured second-order phase parameter (temporal chirp) of the signal is sensitive to the valence electronic symmetry of the molecules, whereas the amplitude of the signal does not show such sensitivity. We compare measurements to theoretical calculations of the chirp observable in the molecular frame. This work is an important step towards using electric field measurements in nonlinear optical spectroscopy to study ultrafast dynamics of electronically excited molecules in the molecular frame.

47 OTHER INSTRUMENTATION↗

HTGR Validation: NEUP Survey and Database - Data Reporting Standard for HTGR Thermal-Fluid Experiments

Since 2009, the U.S. Department of Energy (DOE) Office of Nuclear Energy's Nuclear Energy University Program (NEUP) has been at the forefront of nuclear research, specifically concentrating on advancing high-temperature gas-cooled reactor (HTGR) technologies. By Fiscal Year 2024, NEUP has authorized 36 projects dedicated to HTGR research, each contributing significantly to the enhancement of our understanding of this technology. The outcomes of these diverse projects have been disseminated through final NEUP reports, peer-reviewed journal articles, and presentations at academic conferences, forming a comprehensive tapestry of knowledge. Despite the substantial value of these findings, their dissemination has been fragmented, posing challenges for accessibility to researchers and policymakers and leading to underutilization of DOE investments. Recognizing this critical gap and its potential consequences for the future of nuclear research, the Advanced Reactor Technologies (ART) Gas-Cooled Reactor (GCR) program conducted an extensive survey of completed and ongoing HTGR NEUP projects. This survey enabled the compilation of crucial data, resulting in the development of a specialized public-access database tailored for computational fluid dynamics and system code validation, specifically designed for HTGR applications. However, the data collection process revealed a significant challenge in central data organization due to individual researchers from different institutes employing varying logics and preferences for recording and documenting experimental data. Consequently, an urgent need has been identified to establish a standardized reporting format for HTGR experimental projects. Addressing this issue is essential for enhancing collaboration, maximizing the impact of DOE investments, and ensuring the seamless advancement of HTGR technologies in nuclear research.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗