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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Quantifying the anomalous water absorption behavior of cement mortar in view of its physical sensitivity to water

The one-dimensional water absorption into cement-based materials, possibly the simplest case of unsaturated water flow playing a fundamental role in predicting mass transport and durability, is still far from being completely understood due to several puzzling anomalies. Considering the water sensitivity of C-S-H gels (swell upon wetting and contract upon drying), a modified Richards equation (MRE) is proposed to quantify the anomalous water absorption into cement-based materials of changing porosity. Consistent experimental tests on a cement mortar and calculations indicate that the MRE with time-decaying water permeability can quantitatively capture the long-term absorption with two linear stages and a nonlinear transition stage between them. The water sensitivity is validated to be responsible for the anomalous deviation of water absorption from the classical square root of time law. It also partially contributes to the anomalous dependence of sorptivity on the temperature-dependent surface tension and viscosity of water and many organic liquids.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Structural dynamics in the water and proton channels of photosystem II during the S2 to S3 transition

Abstract Light-driven oxidation of water to molecular oxygen is catalyzed by the oxygen-evolving complex (OEC) in Photosystem II (PS II). This multi-electron, multi-proton catalysis requires the transport of two water molecules to and four protons from the OEC. A high-resolution 1.89 Å structure obtained by averaging all the S states and refining the data of various time points during the S 2 to S 3 transition has provided better visualization of the potential pathways for substrate water insertion and proton release. Our results indicate that the O1 channel is the likely water intake pathway, and the Cl1 channel is the likely proton release pathway based on the structural rearrangements of water molecules and amino acid side chains along these channels. In particular in the Cl1 channel, we suggest that residue D1-E65 serves as a gate for proton transport by minimizing the back reaction. The results show that the water oxidation reaction at the OEC is well coordinated with the amino acid side chains and the H-bonding network over the entire length of the channels, which is essential in shuttling substrate waters and protons.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Relationship between isotope ratios in precipitation and stream water across watersheds of the National Ecological Observation Network

The timescales associated with precipitation moving through watersheds reveal processes that are critical to understanding many hydrologic systems. Measurements of environmental stable water isotope ratios (δ 2 H and δ 18 O) have been used as tracers to study hydrologic timescales by examining how long it takes for incoming precipitation tracers become stream discharge, yet limited measurements both spatially and temporally have bounded macroscale evaluations so far. Here in this observation driven study across North American biomes within the National Ecological Observation Network (NEON), we examined δ 18 O and δ 2 H stable water isotope in precipitation (δP) and stream water (δQ) at 26 co-located sites. With an average 54 precipitation samples and 139 stream water samples per site collected over 2014–2022, assessment of local meteoric water lines and local stream water lines showed geographic variation across North America. Taking the ratio of estimated seasonal amplitudes of δP and δQ to calculate young water fractions (F yw ), showed a Fyw range from 1% to 93% with most sites having F yw below 20%. Calculate d mean transit times (MTT) based on a gamma convolution model showed a MTT range from 0.10 to 13.2 years, with half of the sites having MTT estimates lower than 2 years. Significant correlations were found between the F yw and watershed area, longest flow length, and the longest flow length/slope. Significant correlations were found between MTT and site latitude, longitude, slope, clay fraction, temperature, precipitation magnitude, and precipitation frequency. The significant correlations between water timescale metrics and the environmental characteristics we report share some similarities with those reported in prior studies, demonstrating that these quantities are primarily driven by site or area specific factors. The analysis of isotope data presented here provides important constraints on isotope variation in North American biomes and the timescales of water movement through NEON study sites.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1994

On the transition towards slow manifold in shallow-water and 3D Euler equations in a rotating frame

The long-time, asymptotic state of rotating homogeneous shallow-water equations is investigated. Our analysis is based on long-time averaged rotating shallow-water equations describing interactions of large-scale, horizontal, two-dimensional motions with surface inertial-gravity waves field for a shallow, uniformly rotating fluid layer. These equations are obtained in two steps: first by introducing a Poincare/Kelvin linear propagator directly into classical shallow-water equations, then by averaging. The averaged equations describe interaction of wave fields with large-scale motions on time scales long compared to the time scale 1/f(sub o) introduced by rotation (f(sub o)/2-angular velocity of background rotation). The present analysis is similar to the one presented by Waleffe (1991) for 3D Euler equations in a rotating frame. However, since three-wave interactions in rotating shallow-water equations are forbidden, the final equations describing the asymptotic state are simplified considerably. Special emphasis is given to a new conservation law found in the asymptotic state and decoupling of the dynamics of the divergence free part of the velocity field. The possible rising of a decoupled dynamics in the asymptotic state is also investigated for homogeneous turbulence subjected to a background rotation. In our analysis we use long-time expansion, where the velocity field is decomposed into the 'slow manifold' part (the manifold which is unaffected by the linear 'rapid' effects of rotation or the inertial waves) and a formal 3D disturbance. We derive the physical space version of the long-time averaged equations and consider an invariant, basis-free derivation. This formulation can be used to generalize Waleffe's (1991) helical decomposition to viscous inhomogeneous flows (e.g. problems in cylindrical geometry with no-slip boundary conditions on the cylinder surface and homogeneous in the vertical direction).

Mahalov, A.↗
NASA NTRS1987

An experimental low Reynolds number comparison of a Wortmann FX67-K170 airfoil, a NACA 0012 airfoil and a NACA 64-210 airfoil in simulated heavy rain

Wind tunnel experiments were conducted on Wortmann FX67-K170, NACA 0012, and NACA 64-210 airfoils at rain rates of 1000 mm/hr and Reynolds numbers of 310,000 to compare the aerodynamic performance degradation of the airfoils and to attempt to identify the various mechanisms which affect performance in heavy rain conditions. Lift and drag were measured in dry and wet conditions, a variety of flow visualization techniques were employed, and a computational code which predicted airfoil boundary layer behavior was used. At low angles of attack, the lift degradation in wet conditions varied significantly between the airfoils. The Wortmann section had the greatest overall lift degradation and the NACA 64-210 airfoil had the smallest. At high angles of attack, the NACA 64-210 and 0012 airfoils had improved aerodynamic performance in rain conditions due to an apparent reduction of the boundry layer separation. Performance degradation in heavy rain for all three airfoils at low angles of attack could be emulated by forced boundary layer transition near the leading edge. The secondary effect occurs at time scales consistent with top surface water runback times. The runback layer is thought to effectively alter the airfoil geometry. The severity of the performance degradation for the airfoils varied. The relative differences appeared to be related to the susceptibility of each airfoil to premature boundary layer transition.

Craig, Anthony P.↗
NASA NTRS1994

Characteristics of surface roughness associated with leading edge ice accretion

Detailed size measurements of surface roughness associated with leading edge ice accretions are presented to provide information on characteristics of roughness and trends of roughness development with various icing parameters. Data was obtained from icing tests conducted in the Icing Research Tunnel (IRT) at NASA Lewis Research Center (LeRC) using a NACA 0012 airfoil. Measurements include diameters, heights, and spacing of roughness elements along with chordwise icing limits. Results confirm the existence of smooth and rough ice zones and that the boundary between the two zones (surface roughness transition region) moves upstream towards stagnation region with time. The height of roughness grows as the air temperature and the liquid water content increase, however, the airspeed has little effect on the roughness height. Results also show that the roughness in the surface roughness transition region grows during a very early stage of accretion but reaches a critical height and then remains fairly constant. Results also indicate that a uniformly distributed roughness model is only valid at a very initial stage of the ice accretion process.

Shin, Jaiwon↗
DOE OSTI2021

Site-Selective Real-Time Observation of Bimolecular Electron Transfer in a Photocatalytic System Using L-Edge X-Ray Absorption Spectroscopy

Here, time-resolved X-ray absorption spectroscopy has been utilized to monitor the bimolecular electron transfer in a photocatalytic water splitting system. This has been possible by uniting the local probe and element specific character of X-ray transitions with insights from high-level ab initio calculations. The specific target has been a heteroleptic [Ir III (ppy) 2 (bpy)] + photosensitizer, in combination with triethylamine as a sacrificial reductant and Fe 3 (CO) 12 as a water reduction catalyst. The relevant molecular transitions have been characterized via high-resolution Ir L-edge X-ray absorption spectroscopy on the picosecond time scale and restricted active space self-consistent field calculations. The presented methods and results will enhance our understanding of functionally relevant bimolecular electron transfer reactions and thus will pave the road to rational optimization of photocatalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Dynamic Behavior of Natural Seep Vents: Analysis of Field and Laboratory Observations and Modeling (Final Scientific/Technical Report)

In this project, we have analyzed data collected by the U.S. Department of Energy (DOE), National Energy Technology Laboratory (NETL) in a high pressure water tunnel (HPWT) and data from two research cruises to natural seeps in the Gulf of Mexico to adapt and validate a numerical model to predict the dynamics of natural seeps in the deep oceans. The HPWT data include video observations of the shrinkage rate of individual methane and natural gas bubbles under simulated deep-water conditions. Field data were collected during two cruises by the Gulf Integrated Spill Research (GISR) Consortium led by Texas A&M University and funded by the Gulf of Mexico Research Initiative (GoMRI). These data included in situ observations from a remotely operated vehicle (ROV) of gas bubbles at two natural seep sites in the Gulf and acoustic observations of the natural seep bubble flares in the ocean water column. The acoustic data were from multibeam echosounders, one mounted in a forward-looking orientation on the ROV and another mounted down-looking in the haul of the ship. All of these laboratory and field data were focused on the dynamics of natural gas bubbles at temperatures and pressures favorable for clathrate hydrate formation between the gas and water. Our analyses of this data focused on understanding the mechanisms responsible for gas bubble dissolution within the hydrate stability zone (HSZ) of the oceans. Ice-like hydrate shells may form on the bubble-water interface under these conditions, and it was unknown how this might affect the mass transfer of gas into the ocean. We were able to extract bubble shrinkage rates from the HPWT datasets. Using this data we determined that mass transfer coefficients with and without a hydrate shell match empirical values for bubbles in contaminated systems (so-called dirty bubbles contaminated by naturally occurring surfactants). We also showed that free gas, and not gas hydrate, is the dominant dissolving phase when the hydrate sub-cooling is below 11 degree Celsius (temperature difference between hydrate the hydrate formation temperature and ambient temperator) or the pressure is reducing as bubbles rise through the ocean water column. Using this mass transfer model, our numerical model of bubble dissolution matched the over 200 HPWT experiments with an average error of 10% for predicting the bubble size at the end of an experiment. From field data in the literature, we also observed that gas bubbles dissolve faster when they are initially released, following mass transfer coefficients for so-called clean-bubbles (those not yet contaminated by surfactants). Shortly after release within the HSZ, a hydrate shell forms on the bubble-water interface, and the mass transfer reduces to rates matching those of dirty bubbles. We correlated this transition time from clean to dirty bubble behavior with the initial bubble surface area and the hydrate sub-cooling. With this model for hydrate formation time and using the mass transfer coefficients deduced from the HPWT data, we validated our numerical model for predicting the rise heights of natural seep flares in the oceans. Flare heights are commonly observed in haul-mounted acoustic multibeam data. The numerical model predicts bubbles to rise high in the ocean water column owing to the slower mass transfer rates for dirty bubbles that accompany the majority of their rise time. We found that the numerical model predictions matched the observed flare heights within 5% to 10% accuracy when we compared the rise heights of the largest bubbles released from the seafloor with the bubbles acoustically visible in the multibeam data. Bubbles become acoustically transparent as they shrink to sizes of order 1 mm in diameter for the multibeam frequencies used in the field. The forward-looking multibeam on the ROV also provided data on the lateral spreading of bubbles in natural seep flares. Our analysis of this data showed that spreading follows a diffusion process, with the effective diffusivity correlating with the wobbling length scale of these ellipsoidal bubbles. When we apply this diffusivity in a random displacement model of bubble spreading, our numerical simulations match closely the lateral spread observed by the M3 in the ocean water column. Finally, we compared the seep model predictions for the acoustic properties of these natural seep plumes with that observed by the acoustic instruments in the field. The M3 and EM 302 observations were converted to relative values of target strength using a calibration we obtained in the laboratory for the M3 and using an algorithm from the manufacturer for the EM 302. Comparing the numerical seep model to these data, we obtain good agreement over the whole height of rise of these bubble flares. This further validates the numerical model. Overall, our validated seep model captures the key dynamics of gas bubbles released from natural seeps in the oceans and helps to predict the fate of methane in the water column.

03 NATURAL GAS↗
DOE OSTI2023

Transition Core Modeling for Extended Enrichment & Accident-Tolerant Fuels Using Polaris/PARCS

Commercial light water reactor (LWR) operators and fuel vendors are currently interested in increasing the low-enriched uranium (LEU) fuel enrichments from the current limit of 5.0 $^w/_o$ $^{235}U$ up to 10 $^ w/_o$ $^{235}U$ (referred to as "LEU+") in their current fleets; they are also interested in using accident-tolerant fuel (ATF) with both LEU and LEU+ fuel. This report aims to identify modeling challenges and accuracy concerns in transition core analysis using the SCALE Polaris lattice physics code and U.S. Nuclear Regulatory Commission core simulator PARCS. At the time this study was started, no publicly available LEU+ core designs existed for boiling water reactor (BWR) or pressurized water reactor (PWR) systems. Therefore, fuel lattices were shuffled within a multi-assembly model to mimic neutronically challenging lattice combinations seen in transition cores, such as a fresh LEU+ lattice next to depleted LEU lattices. In addition to multi-assembly models, whole-core BWR transition core calculations were performed for ATF and LEU+ fuel using an existing Hatch-1 Cycle 3 core model. A whole-core BWR model was chosen due to the more heterogeneous core designs compared to those for a PWR core. Since the original core is an old checkerboard core design and no core or fuel design optimization was performed for the modeled fuel types, these core calculations were intended only to provide: (1) Comparisons of core characteristics of interest, such as the pin power distributions and peaking factors, Doppler temperature coefficients (DTCs), and control blade worths (CBWs) under challenging core designs, (2) Identification of reactor physics challenges in modeling LEU+ and ATF cores, and (3) A stress test for the Polaris/PARCS two-step modeling approach, including characterization of the relative accuracy for predicting characteristics of interest such as pin power distributions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1990

Investigation of surface water behavior during glaze ice accretion

A series of experimental investigations that focused on isolating the primary factors that control the behavior of unfrozen surface water during glaze ice accretion were conducted. Detailed microvideo observations were made of glaze ice accretions on 2.54 cm diam cylinders in a closed-loop refrigerated wind tunnel. Distinct zones of surface water behavior were observed; a smooth wet zone in the stagnation region with a uniform water film, a rough zone where surface tension effects caused coalescence of surface water into stationary beads, and a zone where surface water ran back as rivulets. The location of the transition from the smooth to the rough zone was found to migrate towards the stagnation point with time. Comparative tests were conducted to study the effect of the substrate thermal and roughness properties on ice accretion. The importance of surface water behavior was evaluated by the addition of a surface tension reducing agent to the icing tunnel water supply, which significantly altered the accreted glaze ice shape. Measurements were made to determine the contact angle behavior of water droplets on ice. A simple multizone modification to current glaze ice accretion models was proposed to include the observed surface roughness behavior.

Hansman, R. John, Jr.↗
NASA NTRS2013

Orion MPCV Touchdown Detection Threshold Development and Testing

A robust method of detecting Orion Multi ]Purpose Crew Vehicle (MPCV) splashdown is necessary to ensure crew and hardware safety during descent and after touchdown. The proposed method uses a triple redundant system to inhibit Reaction Control System (RCS) thruster firings, detach parachute risers from the vehicle, and transition to the post ]landing segment of the Flight Software (FSW). The vehicle crew is the prime input for touchdown detection, followed by an autonomous FSW algorithm, and finally a strictly time based backup timer. RCS thrusters must be inhibited before submersion in water to protect against possible damage due to firing these jets under water. In addition, neglecting to declare touchdown will not allow the vehicle to transition to post ]landing activities such as activating the Crew Module Up ]righting System (CMUS), resulting in possible loss of communication and difficult recovery. A previous AIAA paper gAssessment of an Automated Touchdown Detection Algorithm for the Orion Crew Module h concluded that a strictly Inertial Measurement Unit (IMU) based detection method using an acceleration spike algorithm had the highest safety margins and shortest detection times of other methods considered. That study utilized finite element simulations of vehicle splashdown, generated by LS ]DYNA, which were expanded to a larger set of results using a Kriging surface fit. The study also used the Decelerator Systems Simulation (DSS) to generate flight dynamics during vehicle descent under parachutes. Proto ]type IMU and FSW MATLAB models provided the basis for initial algorithm development and testing. This paper documents an in ]depth trade study, using the same dynamics data and MATLAB simulations as the earlier work, to further develop the acceleration detection method. By studying the combined effects of data rate, filtering on the rotational acceleration correction, data persistence limits and values of acceleration thresholds, an optimal configuration was determined. The lever arm calculation, which removes the centripetal acceleration caused by vehicle rotation, requires that the vehicle angular acceleration be derived from vehicle body rates, necessitating the addition of a 2nd order filter to smooth the data. It was determined that using 200 Hz data directly from the vehicle IMU outperforms the 40 Hz FSW data rate. Data persistence counter values and acceleration thresholds were balanced in order to meet desired safety and performance. The algorithm proved to exhibit ample safety margin against early detection while under parachutes, and adequate performance upon vehicle splashdown. Fall times from algorithm initiation were also studied, and a backup timer length was chosen to provide a large safety margin, yet still trigger detection before CMUS inflation. This timer serves as a backup to the primary acceleration detection method. Additionally, these parameters were tested for safety on actual flight test data, demonstrating expected safety margins.

Daum, Jared↗
DOE OSTI2024

Surface-to-Interior Transport Timescales and Ventilation Patterns in a Time-Dependent Circulation Driven by Sustained Climate Warming

Abstract The effect of climate warming in response to rising atmospheric CO 2 on the ventilation of the ocean remains uncertain. Here we make theoretical advances in elucidating the relationship between ideal age and transit time distribution (TTD) in a time-dependent flow. Subsequently, we develop an offline tracer-transport model to characterize the ventilation patterns and time scales in the time-evolving circulation for the 1850–2300 period as simulated with the Community Earth System Model version 1 (CESMv1) under a business-as-usual warming scenario. We found that by 2300 2.1% less water originates from the high-latitude deep water formation regions (both hemispheres) compared to 1850. In compensation, there is an increase in the water originating from the subantarctic. We also found that slowing meridional overturning circulation causes a gradual increase in mean age during the 1850–2300 period, with a globally averaged mean-age increase of ∼110 years in 2300. Where and when the water will be re-exposed to the atmosphere depends on the post-2300 circulation. For example, if we assume that the circulation persists in its year-2300 state (scenario 1), the mean interior-to-surface transit time in year 1850 is ∼1140 years. In contrast, if we assume that the circulation abruptly recovers to its year-1850 state (scenario 2), the mean interior-to-surface transit time in 1850 is only ∼740 years. By 2300, these differences become even larger; in scenario 1, the mean interior-to-surface transit time increases by ∼200 years, whereas scenario 2 decreases by ∼80 years. The dependence of interior-to-surface transit time on the future ocean circulation produces an additional unavoidable uncertainty in the long-term durability of marine carbon dioxide removal strategies. Significance Statement The ocean’s circulation, when altered by climate warming, can affect its capacity to absorb heat and CO 2 , which are crucial for the global climate. In our study, we investigated how global warming, caused by rising CO 2 levels, might impact the ocean circulation—the way water moves from deep ocean to the surface and vice versa. We discovered that by 2300, if we continue on our current warming trajectory, the origins of water within the ocean will shift, with less coming from deep, cold zones near the poles and more from subantarctic regions. As a result, deep water will take longer time before it resurfaces than shallow water. How quickly this water travels from deep regions to the surface could change, depending on the state of future ocean circulation. If the circulation remains as predicted in 2300, this journey will take longer. Conversely, if it reverts to the pattern in 1850, the process will be quicker. This variability introduces added uncertainty to strategies aimed at mitigating climate change by storing CO 2 in the ocean. Our work highlights the intricate ways in which climate change can influence our oceans, potentially affecting our plans to mitigate global warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Decoupling of the onset of anharmonicity between a protein and its surface water around 200 K

The protein dynamical transition at ~200 K, where the biomolecule transforms from a harmonic, non-functional form to an anharmonic, functional state, has been thought to be slaved to the thermal activation of dynamics in its surface hydration water. Here, by selectively probing the dynamics of protein and hydration water using elastic neutron scattering and isotopic labeling, we found that the onset of anharmonicity in the two components around 200 K is decoupled. The one in protein is an intrinsic transition, whose characteristic temperature is independent of the instrumental resolution time, but varies with the biomolecular structure and the amount of hydration, while the one of water is merely a resolution effect.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Scale-dependent spatial variabilities of hydrological exchange flows and transit time in a large regulated river

Hydrological exchange flows (HEF) across the river-aquifer interface and the associated residence time of river water in the aquifer have important implications for contaminant plume migration and biogeochemical processes in the river corridor. HEFs and residence time are influenced by both subsurface physical features and hydrologic forcing related to the transport process, which can exhibit complex spatial and temporal variations. In this study, we used a massively parallel subsurface flow model and a particle-tracking model to study the influences of different control factors on spatial variability of HEFs and residence time distributions (RTD) in the Hanford Reach of the Columbia River in Washington State. A total number of 100M particles were randomly injected in time and space and then tracked in a model domain that covers a 51-km 2 area (15.1M model cells). We used hourly river stages and groundwater levels to drive the model to provide dynamic velocity fields for the particle tracking in the simulation period that was longer than 2 years. The groundwater flow simulation and particle-tracking results provide the first comprehensive assessment of the spatial distribution of HEFs and residence time in large complex river corridors. Overall, our results show that the aquifer hydrogeological structure has the strongest correlation with the extent and magnitude of exchange flux. The residence time exhibits complex patterns that are impacted by all the river geomorphologic, hydrodynamic, and hydrogeologic factors and are strongly correlated with the downwelling ratio of exchange flux. The new insights gained through this study can be used to support the development of reduced-order models of HEFs and RTDs for large complex river systems.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2017

Applications of Satellite Data to Support Improvements in Irrigation and Groundwater Management in California

In agricultural regions around the world, threats to water supplies from drought and groundwater depletion are driving increased demand for tools to advance agricultural water use efficiency and support sustainable groundwater management. Satellite mapping of evapotranspiration (ET) from irrigated agricultural lands can provide agricultural producers and water resource managers with information that can be used to both optimize ag water use and improve estimates of groundwater withdrawals for irrigation. We describe the development of two remote sensing-based tools for ET mapping in California, including important lessons in terms of system design, partnership development, and transition to operations. For irrigation management, the integration of satellite data and surface sensor networks to provide timely delivery of information on crop water requirements can make irrigation scheduling more practical, convenient, and accurate.Developed through a partnership between NASA and the CA Department of Water Resources, the Satellite Irrigation Management Support (SIMS) framework integrates satellite data with information from agricultural weather networks to map crop canopy development and crop water requirements at the scale of individual fields. Information is distributed to agricultural producers and water managers via a web-based interface and web data services. SIMS also provides an API that facilitates integration with other irrigation decision support tools, such as CropManage and IrriQuest. Field trials using these integrated tools have shown that they can be used to sustain yields while improving water use efficiency and nutrient management. For sustainable groundwater management, the combination of satellite-derived estimates of ET and data on surface water deliveries for irrigation can increase the accuracy of estimates of groundwater pumping. We are developing an OpenET platform to facilitate access to ET data from multiple models and accelerate operational use of ET data in support of a range of water management applications, including implementation of the Sustainable Groundwater Management Act in CA. By providing a shared basis for decision making, we anticipate that the OpenET platform will accelerate implementation of solutions for sustainable groundwater management.

Satellite↗
DOE OSTI2025

Assessment of CTF for Steady-state and Transient Post-CHF Conditions in Support of Time-at-Temperature Modeling Applications

The US nuclear industry is exploring options to improve operational economics and uprate the current fleet of light-water reactors by investigating transitioning to cladding performance–based safety criteria as opposed to the current limit, which requires complete avoidance of critical heat flux (CHF)/dryout. Past experience has shown that not all events leading to a dryout are severe enough to cause fuel performance degradation. Allowing temporary dryout of the fuel—that is, using a time-at-temperature (TaT) strategy—could allow for economic improvements via large power uprates and enhanced operational flexibility for current plants without compromising fuel integrity. To support this effort, the US Department of Energy is executing a comprehensive program that includes generating cladding material data under TaT conditions, developing new mechanistic models, and demonstrating modeling and simulation capabilities for transients of interest. This paper presents work performed to assess the CTF thermal-hydraulics subchannel code. CTF is a package used in the VERA core simulator, which will ultimately be used for TaT analysis. CTF will provide the thermal-hydraulic boundary conditions that will be needed for fuel performance analysis in the BISON code. Quantifying both the accuracy and uncertainty of post-CHF models will therefore be necessary. This paper outlines the strategy for the assessment of TaT and presents the results of using the steady-state and transient dryout experiments of the Boiling Fine-mesh Bundle Tests for CTF validation. The results show that the current model tends to overpredict steady-state critical power. This behavior translates to the transient tests, in which CTF is unable to capture transient dryout behavior. Some discussion of sensitivity analysis work being performed is provided to indicate which models must be further analyzed to properly model transient dryout and its uncertainty.

Salko Jr, Robert [ORNL] (ORCID:0000000253566679)↗
DOE OSTI2025

Three rate-determining protein roles in photosynthetic O 2 -evolution addressed by time-resolved experiments on genetically modified photosystems

Light-driven water splitting by plants, algae and cyanobacteria is pivotal for global bioenergetics and biomass formation. A manganese cluster bound to the photosystem II proteins catalyzes the complex reaction at high rate, but the rate-determining factors are insufficiently understood. Here we trace the oxygen-evolution transition by time-resolved polarography and infrared spectroscopy for cyanobacterial photosystems genetically modified at two strategic sites, complemented by computational chemistry. Our results highlight three rate-determining roles of the protein environment of the metal cluster: acceleration of proton-coupled electron transfer, acceleration of substrate-water insertion after O 2 -formation, and balancing of rate-determining enthalpic and entropic contributions. Whereas in general the substrate-water insertion step may be unresolvable in time-resolved experiments, here it likely becomes traceable because of deceleration by genetic modification. Our results may stimulate new time-resolved experiments on substrate-water insertion in photosynthesis, clarification of enthalpy-entropy compensation in enzyme catalysis, and knowledge-guided development of inorganic catalyst materials.

Bioenergetics↗
NASA NTRS1992

Venus: The case for a wet origin and a runaway greenhouse

To one interested in atmospheric evolution, the most intriguing aspect of our neighboring planet Venus is its lack of water. Measurements made by Pioneer Venus and by Several Venera spacecraft indicate that the present water abundance in Venus' lower atmosphere is of the order of 20 to 200 ppmv, or 3 x 10( exp -6) to 3 x 10 (exp -5) of the amount of water in Earth's oceans. The exact depletion factor is uncertain, in part because of an unexplained vertical gradient in H2O concentration in the lowest 10 km of the venusian atmosphere, but the general scarcity of water is well established. The interesting question, then, is: Was venus deficient in water when it formed and, if not, where did its water go? The conclusion that Venus was originally wet is consistent with its large endowment of other volatiles and with the enhanced D/H ratio in the present atmosphere. The most likely mechanism by which Venus could have lost its water is by the development of a runaway or moist greenhouse atmosphere followed by photodissociation of water vapor and escape of hydrogen to space. Climate model calculations that neglect cloud albedo feedback predict the existence of two critical transitions in atmospheric behavior at high solar fluxes: (1) at a solar flux of approximately 1.1 times the value at Earth's orbit, S(o), the abundance of stratospheric water vapor increases dramatically, permitting rapid escape of hydrogen to space (termed a moist greenhouse) and (2) at a solar flux of approximately 1.4 S(o), the oceans vaporize entirely, creating a true runaway greenhouse. If cloudiness increases at high surface temperatures, as seems likely, and if the dominant effect of clouds is to cool the planet by reflecting incident solar radiation, the actual solar flux required to create moist or runaway conditions would be higher than the values quoted above. Early in solar system history, solar luminosity was about 25 percent to 30 percent less than today, putting the flux at Venus' orbit in the range of 1.34 S(o) to 1.43 S(o). Thus, it is possible that Venus had liquid water on its surface for several hundred million years following its formation. Paradoxically, this might have facilitated water loss by sequestering atmospheric CO2 in carbonate rocks and by providing an effective medium for surface oxidation.

Kasting, J. F.↗