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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Prognostic Power of Extreme Rainfall Scaling Formulas Across Space and Time Scales

Some studies documenting changes in extreme precipitation use scaling formulas to approximate the large percentiles of the rainfall distribution from average dynamical and thermodynamical variables, called predictors. Here we instead assess the performance of these formulas as approximations to the rain rates in individual events. We evaluate the accuracies of the scaling relationships as functions of spatial and temporal scales by analyzing tropical rainfall in a superparameterized model. Relationships using full vertical profiles of the predictors are more accurate than those using their values at specific vertical levels because they better characterize the specific dynamics of each event. Both types of scaling relationships perform well over a range of length scales from 200 to 2,000 km and time scales from an hour to a week, and their precision is higher in the case of simulations with superparameterization than with parameterized convection. Uncertainties emerging from the local use of the scaling relationships suggest that they may only characterize the intensification of individual extremes for a warming of 4–5 K or larger. Finally, we argue that these formulas can be used to reconstruct the tail of the rainfall distribution directly from its predictors without prior information on P. While scalings have been used as diagnostic equations conditioned on the occurrence of extreme rainfall, they are actually able to mimic the prognostic behavior of climate model parameterizations on a variety of scales when estimating the intensity, frequency, and spatial patterns of extremes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Dynamic non-reciprocal meta-surfaces with arbitrary phase reconfigurability based on photonic transition in meta-atoms

We introduce a distinct class of dynamic non-reciprocal meta-surfaces with arbitrary phase-reconfigurability. This meta-surface consists of an array of meta-atoms, each of which is subject to temporal refractive index modulation, which induces photonic transitions between the states of the meta-atom. We show that arbitrary phase profile for the outgoing wave can be achieved by controlling the phase of the modulation at each meta-atom. Moreover, such dynamic meta-surfaces exhibit non-reciprocal response without the need for magneto-optical effects. The use of photonic transition significantly enhances the tunability and the possible functionalities of meta-surfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Multi-omic dynamics associate oxygenic photosynthesis with nitrogenase-mediated H 2 production in Cyanothece sp. ATCC 51142

This study combines transcriptomic and proteomic profiling to provide new insights on the metabolic relationship between oxygenic photosynthesis and nitrogenase-mediated H 2 production in the model cyanobacterium, Cyanothece sp. ATCC 51142. To date, the proposed mechanisms used to describe the energy metabolism processes that support H 2 production in Cyanothece 51142 have assumed that ATP and reductant requirements are derived solely from glycogen oxidation and/or cyclic-electron flow around photosystem I. The results from this study present and test an alternative hypothesis by showing that net-positive rates of oxygenic photosynthesis and increased expression of photosystem II reaction centers correspond and are synchronized with nitrogenase expression and H 2 production. These findings provide a new and more complete view on the metabolic processes contributing to the energy budget of photosynthetic H 2 production and highlight the likely role of photocatalytic H 2 O oxidation as a major participating process.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Spin waves in the soft layer of exchange-coupled soft/hard bilayers

The magnetic dynamical properties of the soft layer in exchange-coupled soft/hard bilayers have been investigated numerically using a one-dimensional atomic chain model. The frequencies and spatial profiles of spin wave eigenmodes are calculated during the magnetization reversal process of the soft layer. The spin wave modes exhibit a spatially modulated amplitude, which is especially evident for high-order modes. A dynamic pinning effect of surface magnetic moment is observed. The spin wave eigenfrequency decreases linearly with the increase of the magnetic field in the uniformly magnetized state and increases nonlinearly with field when spiral magnetization configuration is formed in the soft layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

RISK MONITORING CAPABILITES FROM DYNAMIC PRA DATA

Risk Monitors (RMs) are software tools that are employed in nuclear power plants to monitor the safety properties of the plant itself during operation. These safety properties are generated using classical PRA methods which are typically based on static Boolean structures such as Fault-Trees (FTs) and Event-Trees (ETs). The outcomes of these methods are Core Damage Frequency (CDF) and risk importance values of plant components (e.g., valves and pumps). Examples of Risk Importance Measures (RIMs) commonly used are: Risk Achievement Worth (RAW), Risk Reduction Worth (RRW), Birnbaum (B) and Fussell-Vesely (FV) [1,2]. In a RM these values are updated in real time once plant components status is updated (e.g., under maintenance, off-line, testing). In addition, RMs can be used to optimize maintenance schedules so those safety features of the plant are below plant standard values. This paper presents an approach to create temporal profiles of RIMs (i.e., RM capabilities) given a temporal change of the plant configuration. Instead of employing data generated by ETs and FTs, the proposed approach will employ data generated by Dynamic PRA methods. In contrast to classical PRA methods, Dynamic PRA methods couple stochastic methods with safety analysis codes to determine risk associate to complex systems such as nuclear plants. Compared to classical PRA methods, they can evaluate with higher resolution the safety impact of timing and sequencing of events on the accident progression. We will describe how classical RIMs can be generated by Dynamic PRA data and then we will show how the temporal profiles of the RIMs can be generated given a temporal profile of the system configuration.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Dry Season Transpiration and Soil Water Dynamics in the Central Amazon

With current observations and future projections of more intense and frequent droughts in the tropics, understanding the impact that extensive dry periods may have on tree and ecosystem-level transpiration and concurrent carbon uptake has become increasingly important. Here, we investigate paired soil and tree water extraction dynamics in an old-growth upland forest in central Amazonia during the 2018 dry season. Tree water use was assessed via radial patterns of sap flow in eight dominant canopy trees, each a different species with a range in diameter, height, and wood density. Paired multi-sensor soil moisture probes used to quantify volumetric water content dynamics and soil water extraction within the upper 100 cm were installed adjacent to six of those trees. To link depth-specific water extraction patterns to root distribution, fine root biomass was assessed through the soil profile to 235 cm. To scale tree water use to the plot level (stand transpiration), basal area was measured for all trees within a 5 m radius around each soil moisture probe. The sensitivity of tree transpiration to reduced precipitation varied by tree, with some increasing and some decreasing in water use during the dry period. Tree-level water use scaled with sapwood area, from 11 to 190 L per day. Stand level water use, based on multiple plots encompassing sap flow and adjacent trees, varied from ∼1.7 to 3.3 mm per day, increasing linearly with plot basal area. Soil water extraction was dependent on root biomass, which was dense at the surface (i.e., 45% in the upper 5 cm) and declined dramatically with depth. As the dry season progressed and the upper soil dried, soil water extraction shifted to deeper levels and model projections suggest that much of the water used during the month-long dry-down could be extracted from the upper 2–3 m. Results indicate variation in rates of soil water extraction across the research area and, temporally, through the soil profile. These results provide key information on whole-tree contributions to transpiration by canopy trees as water availability changes. In addition, information on simultaneous stand level dynamics of soil water extraction that can inform mechanistic models that project tropical forest response to drought.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Uncovering universal rules governing the selectivity of the archetypal DNA glycosylase TDG

Thymine DNA glycosylase (TDG) is a pivotal enzyme with dual roles in both genome maintenance and epigenetic regulation. TDG is involved in cytosine demethylation at CpG sites in DNA. Here we have used molecular modeling to delineate the lesion search and DNA base interrogation mechanisms of TDG. First, we examined the capacity of TDG to interrogate not only DNA substrates with 5-carboxyl cytosine modifications but also G:T mismatches and nonmismatched (A:T) base pairs using classical and accelerated molecular dynamics. To determine the kinetics, we constructed Markov state models. Base interrogation was found to be highly stochastic and proceeded through insertion of an arginine-containing loop into the DNA minor groove to transiently disrupt Watson–Crick pairing. Next, we employed chain-of-replicas path-sampling methodologies to compute minimum free energy paths for TDG base extrusion. We identified the key intermediates imparting selectivity and determined effective free energy profiles for the lesion search and base extrusion into the TDG active site. Here, our results show that DNA sculpting, dynamic glycosylase interactions, and stabilizing contacts collectively provide a powerful mechanism for the detection and discrimination of modified bases and epigenetic marks in DNA.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Pulsar Wind Bubble Blowout from a Supernova

For pulsars born in supernovae, the expansion of the shocked pulsar wind nebula is initially in the freely expanding ejecta of the supernova. While the nebula is in the inner flat part of the ejecta density profile, the swept-up, accelerating shell is subject to the Rayleigh–Taylor instability. We carried out two- and three-dimensional simulations showing that the instability gives rise to filamentary structure during this initial phase but does not greatly change the dynamics of the expanding shell. The flow is effectively self-similar. If the shell is powered into the outer steep part of the density profile, the shell is subject to a robust Rayleigh–Taylor instability in which the shell is fragmented and the shocked pulsar wind breaks out through the shell. The flow is not self-similar in this phase. For a wind nebula to reach this phase requires that the deposited pulsar energy be greater than the supernova energy, or that the initial pulsar period be in the ms range for a typical 10{sup 51} erg supernova. These conditions are satisfied by some magnetar models for Type I superluminous supernovae. We also consider the Crab Nebula, which may be associated with a low energy supernova for which this scenario applies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Molecular-level insights into structure and dynamics in ionic liquids and polymer gel electrolytes

We report designing new electrolytes requires a better understanding of the correlation between their transport properties and their molecular structure. In this work, we present a detailed study of ionic liquids and polymer gel electrolytes probing their structure and dynamics by nuclear magnetic resonance (NMR) spectroscopy. In particular, ammonium- and phosphonium-based ionic liquids (ILs) are combined with different LiTFSI concentrations, and then with different ratios of poly(methylmethacrylate) polymer. The temperature dependence of self-diffusion coefficients of mobile species, D Li+ , D TFSI- and D P4441+ or D N4441+ , measured by pulsed field gradient (PFG) NMR spectroscopy obeys the Arrhenius equation. Diffusivity of [P4441][TFSI] ILs is found to be greater than those of the [N4441][TFSI] ILs in both liquid and gel electrolytes. Solid state NMR experiments including 13 C and 19 F MAS, 13 C{ 19 F}, 13 C{ 1 H} CPMAS probe the local structure and molecular-level interactions between ions and polymer in gel electrolytes, particularly for samples with higher PMMA content (≥25 wt%). Finally, the fast field cycling relaxometry has been used to unveil the rotational and translational dynamics of P4441 + or N4441 + and TFSI - by measuring 1 H and 19 F R 1 relaxation rate profiles at different temperatures. A comprehensive NMR analysis including relaxation studies at low magnetic field provides decisive new insights regarding the formation of ionic clusters and the interaction of ions with the polymer chain in the case of the gel electrolytes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Plasma dynamics above solar flare soft x-ray loop tops

We measure non-thermal motions in flare loop tops and above the loop tops using profiles of highly ionized spectral lines of Fe XXIV and Fe XXIII formed at multimillion-degree temperatures. Non-thermal motions that may be due to turbulence or multiple flow regions along the line of sight are extracted from the line profiles. The non-thermal motions are measured for four flares seen at or close to the solar limb. The profile data are obtained using the Extreme-ultraviolet Imaging Spectrometer on the Hinode spacecraft. The multimillion-degree non-thermal motions are between 20 and 60 km s{sup –1} and appear to increase with height above the loop tops. Motions determined from coronal lines (i.e., lines formed at about 1.5 MK) tend to be smaller. The multimillion-degree temperatures in the loop tops and above range from about 11 MK to 15 MK and also tend to increase with height above the bright X-ray-emitting loop tops. The non-thermal motions measured along the line of sight, as well as their apparent increase with height, are supported by Solar Dynamics Observatory Atmospheric Imaging Assembly measurements of turbulent velocities in the plane of the sky.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Laser energy deposition and its dynamic uniformity for direct-drive capsules

The total laser energy deposition of multi-laser-beam irradiation is not only associated with the dynamic behavior of capsule but also the time-dependent angular distribution of the energy deposition of each beam around its axis. The dynamic behavior of laser energy deposition does not linearly respond to the dynamic behavior of laser irradiation. The laser energy deposition uniformity determines the symmetry of implosion. The dynamic behavior of laser energy deposition non-uniformity in OMEGA for laser with square beam shape intensity profile is investigated. In the case of smaller laser spot, the initial non-uniformity caused by laser beam overlap is very high. The shell asymmetry caused by the high initial laser irradiation non-uniformity is estimated by the extent of distortion of shock front which is not as severe as expected before the shock driven by main pulse arrives. This suggests that the large initial non-uniformity due to smaller laser spot is one of the elements that seed disturbance before the main pulse. The rms of laser energy deposition during the main pulse remains above 2%. Since the intensity of main driving pulse usually is several times higher than that of picket pulses, the non-uniformity in main pulse period may jeopardize the symmetrical implosion. When dynamic behavior of capsule is considered, the influence of beam pointing error, the target positioning error, and beam-to-beam power unbalance is quite different for the case of static capsule.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

An Efficient 1-D Thermal Stratification Model for Pool-Type Sodium-Cooled Fast Reactors

Investigating thermal stratification in the upper plenum of a sodium fast reactor (SFR) is presently a technology gap in SFR safety analysis. Understanding thermal stratification will promote safe operation of the SFR before its commercial deployment. Stratified layers of liquid sodium with a large vertical temperature gradient could be established in the upper plenum of an SFR during a down-power or a loss-of-flow transient. These stratified layers are unstable and could result in uncertainties for the core safety of an SFR. In order to predict the occurrence of the thermal stratification efficiently, we developed a one-dimensional (1-D) transport model to estimate the temperature profile of the ambient fluid in the upper plenum. This model demands much less computational effort than computational fluid dynamics (CFD) codes and provides calculations with higher fidelity than historical system-level codes. Two flow conditions were considered separately in the current study depending on if in-vessel components are presented in the upper plenum. For the condition where in-vessel components, specifically the upper internal structure, are presented, we assumed that the impinging sodium was evenly dispersed in the ambient fluid within the distance between the bottom of the in-vessel component and the jet inlet surface. For the condition where no in-vessel components are presented, we assumed that the impinging sodium was evenly dispersed in the ambient fluid within the jet length, which was determined through data-driven trainings. The newly developed 1-D model showed similar performance with the CFD model in both cases. However, due to the assumption of flat profiles of the impinging jet axial dispersion rate, nonnegligible discrepancies between the 1-D prediction and the measured data were observed.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

A Model of Solar Equilibrium: The Hydrodynamic Limit

Helioseismology has revealed the internal density and rotation profiles of the Sun. Yet, knowledge of its magnetic fields and meridional circulation is confined much closer to the surface, and latitudinal entropy gradients are below detectable limits. While numerical simulations can offer insight into the interior dynamics and help identify which ingredients are necessary to reproduce particular observations, some features of the Sun can be understood analytically from an equilibrium perspective. Examples of such features include: the 1D density profile arising from steady-state energy transport from the core to the surface, and the tilting of isorotation contours in the convection zone (CZ) due to baroclinic forcing. To help answer the question of which features can be explained by equilibrium, we propose analyzing stationary axisymmetric ideal magnetohydrodynamic flows in the solar regime. By prescribing an appropriate entropy at the surface, we recover a rotation profile that reasonably matches observations in the bulk of the CZ. Additionally, by including the effects of poloidal flow, we reproduce a feature that is reminiscent of the near surface shear layer. Furthermore, no tachocline-like feature is seen in hydrodynamic equilibrium, suggesting the importance of either dynamics or magnetic fields in its description.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

An advanced evaluation of spouted beds scale-up for coating TRISO nuclear fuel particles using Radioactive Particle Tracking (RPT)

A set of dimensionless groups has been proposed in the literature by He et al. (1997) to scale-up gas-solid spouted beds while maintaining their hydrodynamics similarity. The literature reported studies do not provide conclusive assessments about this methodology. Therefore, in this work, we have applied an advanced non-invasive Radioactive Particle Tracking (RPT) technique for the first time to evaluate such scale-up methodology by measuring the local solids velocity, normal and shear stresses and the turbulent kinetic energy. The axial and azimuthal averaged radial profiles of solids velocity, normal stresses, shear stresses, and turbulent kinetic energy illustrate that the similarity of the hydrodynamics has not been attained when the proposed set of dimensionless groups has been matched using two sizes of spouted beds of 0.076 m and 0.152 m and sets of operating conditions. The conclusion is consistent with the recent reported findings by measuring cross sectional distribution and radial profiles of solids and gas holdups along the bed height using gamma-ray computed tomography and by the limited point measurements of solids velocity and holdup using optical fiber probe. It is clear that local measurements of hydrodynamic parameters are essential for detailed assessment of scale-up methodologies. Here, the presented results of our work in terms of the components profiles of the particles radial velocities and turbulent parameters are also valuable for benchmarking computational fluid dynamics codes and models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Transport of colloidal particles in microscopic porous medium analogs with surface charge heterogeneity: experiments and fundamental role of single-bead deposition

Understanding colloid transport in subsurface environments is challenging due to complex interactions between colloids, ground water, and porous media over several length scales. Here, we study the transport of colloidal particles through bead-assembled microfluidic porous media analogs (PMAs) with surface charge heterogeneity. The pore-scale dynamics of colloidal particle deposition were measured, as well as the breakthrough curves (BTC) and retention profiles (RP) of deposited colloidal particles at the scale of the entire PMA. From pore-scale experiments, the maximum surface coverage (?max = 0.51) was measured directly, from which the surface blocking function and deposition coefficient (kpore = 3.56 s-1) were obtained. Using these pore-scale parameters, the transport of colloidal particles was modeled using a one-dimensional advection-dispersion equation under the assumption of irreversible adsorption between oppositely charged beads and colloids, showing good agreement with experimental data. This work presents a new approach to fabricate chemically heterogeneous porous media in a microfluidic device that enables direct measurements of pore-scale colloidal deposition. The approach allows a quantitative prediction of colloidal breakthrough and retention via coupling of direct measurements and an advection-dispersion-deposition model.

Guo, Yang↗
DOE OSTI2017

Polymers at Liquid/Vapor Interface

Polymers confined to the liquid/vapor interface are studied using molecular dynamics simulations. We show that for polymers which are weakly immiscible with the solvent, the density profile perpendicular to the liquid/vapor interface is strongly asymmetric. On the vapor side of the interface, the density distribution falls off as a Gaussian with a decay length on the order of the bead diameter, whereas on the liquid side, the density profile decays as a simple exponential. This result differs from that of a polymer absorbed from a good solvent with the density profile decaying as a power law. In conclusion, as the surface coverage increases, the average end-to-end distance and chain mobility systematically decreases toward that of the homopolymer melt.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Multi-fidelity information fusion with concatenated neural networks

Recently, computational modeling has shifted towards the use of statistical inference, deep learning, and other data-driven modeling frameworks. Although this shift in modeling holds promise in many applications like design optimization and real-time control by lowering the computational burden, training deep learning models needs a huge amount of data. This big data is not always available for scientific problems and leads to poorly generalizable data-driven models. This gap can be furnished by leveraging information from physics-based models. Exploiting prior knowledge about the problem at hand, this study puts forth a physics-guided machine learning (PGML) approach to build more tailored, effective, and efficient surrogate models. For our analysis, without losing its generalizability and modularity, we focus on the development of predictive models for laminar and turbulent boundary layer flows. In particular, we combine the self-similarity solution and power-law velocity profile (low-fidelity models) with the noisy data obtained either from experiments or computational fluid dynamics simulations (high-fidelity models) through a concatenated neural network. We illustrate how the knowledge from these simplified models results in reducing uncertainties associated with deep learning models applied to boundary layer flow prediction problems. The proposed multi-fidelity information fusion framework produces physically consistent models that attempt to achieve better generalization than data-driven models obtained purely based on data. While we demonstrate our framework for a problem relevant to fluid mechanics, its workflow and principles can be adopted for many scientific problems where empirical, analytical, or simplified models are prevalent. In line with grand demands in novel PGML principles, this work builds a bridge between extensive physics-based theories and data-driven modeling paradigms and paves the way for using hybrid physics and machine learning modeling approaches for next-generation digital twin technologies.

42 ENGINEERING↗