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DOE OSTI2014

Hydrogen Storage Tests for Cryo-Compressed Vessels, CRADA No. TC02119.0

This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Bayerische Motoren Werke Aktiengesellschaft (BMW), to advance the state of the art on cryogenic pressure vessel technology that would enable practical hydrogen-fueled automobiles with long driving range, high packaging density and low evaporative losses. This CRADA project was funded through the U.S. Department of Energy (DOE) Office of Hydrogen, Fuel Cells and Infrastructure Technologies. The technical objective for this project was to address the main technical challenges that stand in the way of successful cryo-compressed vessel commercialization, which would be addressed through a combination of experimental work and detailed modeling. This work has the potential of producing a practical automotive hydrogen storage technology that will accelerate the transition to an environmentally friendly hydrogen infrastructure and contribute to the reduction of global warming as well as the dependence on imported oil.

08 HYDROGEN↗

DOE OSTI2020

Burning of particles undergoing stripping breakup

A simple model for condensed-phase particle burning has been presented. Particles are assumed to start burning in quiescent air. Particles are then accelerated, adding convective effects. Convective effect due to the relative motion between the particle and air on heat and mass transfer is included by introducing the Nusselt number. Stripping of liquid is included at higher particle velocity. Evaporation and burning from the stripped tail are also included.

36 MATERIALS SCIENCE↗

DOE OSTI2023

SAF Combustion & Soot Processes [Slides]

The atomization, mixing, combustion and emissions characteristics of aviation fuels were measured using a novel approach based on a non-continuous injection scheme called the single-hole atomizer (SHA). High-speed microscopy revealed differences between fuels in terms of evaporation and mixing regimes over conditions relevant to modern and next generation aero-engine combustors. Measurements of liquid and vapor penetration, mixing fields, combustion and emissions metrics (ignition delay, lift-off length, PAH formation, soot mass) highlighted the effects of fuels and combustor conditions. The experimental results are being leveraged to adjust and validate chemical and CFD models. Detailed analysis of sampled soot showed subtle differences in soot morphology between fuels. The results revealed the presence of contaminants potentially affecting surface chemistry and the nucleation propensity of water droplets on particles. Chemical mechanisms for NJFCP A-2, C-1 and C-4 showed good performance over a large parameter space. Spray breakup at relight conditions is vastly different from the atomization observed at high pressure. CFD simulations of the SHA target conditions confirmed the good behavior of the C-1 kinetic mechanism. The simulations support the strong relationship between low and high temperature reactions. New altitude chamber facility to enable detailed characterization of the heterogeneous nucleation process of water on aerosol particles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Variations in the Width, Density, and Direction of the Palomar 5 Tidal Tails

Stars that escape globular clusters form tidal tails that are predominantly shaped by the global distribution of mass in the Galaxy, but also preserve a historical record of small-scale perturbations. Using deep grz photometry from DECaLS, we present highly probable members of the tidal tails associated with the evaporating globular cluster Palomar 5. These data yield the cleanest view of a stellar stream beyond ≈20 kpc and reveal: (1) a wide, low surface-brightness extension of the leading tail; (2) significant density variations along the stream; and (3) sharp changes in the direction of both the leading and the trailing tail. In the fiducial Milky Way model, a rotating bar perturbs the Palomar 5 tails and can produce streams with similar width and density profiles to those observed. However, the deviations of the stream track in this simple model do not match those observed in the Palomar 5 trailing tail, indicating the need for an additional source of perturbation. These discoveries open up the possibility of measuring the population of perturbers in the Milky Way, including dark-matter subhalos, with an ensemble of stellar streams and deep photometry alone.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

A new method for operating a continuous flow diffusion chamber to investigate immersion freezing: assessment and performance study

Glaciation in mixed-phase clouds predominately occurs through the immersion freezing mode where ice nucleating particles (INPs) immersed within supercooled droplets induce nucleation of ice. Currently, model representations of this process are a large source of uncertainty in simulating cloud radiative properties, and to constrain these estimates, continuous flow diffusion chamber (CFDC)-style INP devices are commonly used to assess the immersion freezing efficiencies of INPs. In this study, a new approach was explored to operating such an ice chamber that provides maximum activation of particles without droplet breakthrough and correction factor ambiguity to obtain high-quality INP measurements in a manner that has not been demonstrated as possible previously. The conditioning section of the chamber was maintained at ~ –20 °C and water relative humidity (RH w ) ~ 113 % conditions to maximize the droplet activation, and the droplets were supercooled with an independently temperature-controlled nucleation section at a steady cooling rate (0.5 °C min –1 ) to induce the freezing of droplets and evaporation of unfrozen droplets. The performance of the modified ice chamber was evaluated using four INP species: K-feldspar, illite-NX, Argentinian soil dust, and airborne arable dust that had shown ice nucleation over a wide span of supercooled temperatures. Dry dispersed and size-selected K-feldspar particles were generated in the laboratory. Illite-NX and soil dust particles were sampled during the second phase of the Fifth International Ice Nucleation Workshop (FIN-02) campaign, and airborne arable dust particles were sampled from the aerosol inlet located on the rooftop of the laboratory. The measured ice nucleation efficiencies of model aerosols with a surface active site density (n s ) metric were higher, but mostly agreed within one order of magnitude compared to literature results.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Boson star normal modes

Boson stars are gravitationally bound objects that arise in ultralight dark matter models and form in the centers of galactic halos or axion miniclusters. We systematically study the excitations of a boson star, taking into account the mixing between positive and negative frequencies introduced by gravity. We show that the spectrum contains zero-energy modes in the monopole and dipole sectors resulting from spontaneous symmetry breaking by the boson star background. We analyze the general properties of the eigenmodes and derive their orthogonality and completeness conditions which have non-standard form due to the positive-negative frequency mixing. The eigenvalue problem is solved numerically for the first few energy levels in different multipole sectors and the results are compared to the solutions of the Schrödinger equation in fixed boson star gravitational potential. The two solutions differ significantly for the lowest modes, but get close for higher levels. We further confirm the normal mode spectrum in 3D wave simulations where we inject perturbations with different multipoles. As an application of the normal mode solutions, we compute the matrix element entering the evaporation rate of a boson star immersed in a hot axion gas. The computation combines the use of exact wavefunctions for the low-lying bound states and of the Schrödinger approximation for the high-energy excitations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2019

Ocean Barrier Layers in the Energy Exascale Earth System Model

Ocean barrier layers (BLs) separate the mixed layer from the top of the thermocline and are able to insulate the mixed layer from entrainment of cold thermocline water. In this work, we provide the first global BL assessment in E3SMv1 and two other Earth system models. Compared to observations, models reproduce the global distributions as semipermanent features in some tropical regions and seasonal features elsewhere. Yet, model BLs are generally too thin in tropical regions and too thick in higher latitudes. BLs' ability to insulate the ocean surface from entrainment of cold thermocline water is most apparent in the tropics. Along these lines, E3SMv1s BL thickness biases most affect entrainment here. Tropical BLT biases appear driven by atmosphere biases, mainly through the effect of precipitation minus evaporation on mixed layer depth. At higher latitudes BL thickness biases are dominated by thermocline depth errors related to ocean circulation and vertical mixing.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

NUMERICAL SIMULATIONS OF CHROMOSPHERIC ANEMONE JETS ASSOCIATED WITH MOVING MAGNETIC FEATURES

Observations with the space-based solar observatory Hinode show that small-scale magnetic structures in the photosphere are found to be associated with a particular class of jets of plasma in the chromosphere called anemone jets. The goal of our study is to conduct a numerical experiment of such chromospheric anemone jets related to the moving magnetic features (MMFs). We construct a 2.5 dimensional numerical MHD model to describe the process of magnetic reconnection between the MMFs and the pre-existing ambient magnetic field, which is driven by the horizontal motion of the magnetic structure in the photosphere. We include thermal conduction parallel to the magnetic field and optically thin radiative losses in the corona to account for a self-consistent description of the evaporation process during the heating of the plasma due to the reconnection process. The motion of the MMFs leads to the expected jet and our numerical results can reproduce many observed characteristics of chromospheric anemone jets, topologically and quantitatively. As a result of the tearing instability, plasmoids are generated in the reconnection process that are consistent with the observed bright moving blobs in the anemone jets. An increase in the thermal pressure at the base of the jet is also driven by the reconnection, which induces a train of slow-mode shocks propagating upward. These shocks are a secondary effect, and only modulate the outflow of the anemone jet. The jet itself is driven by the energy input due to the reconnection of the MMFs and the ambient magnetic field.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Structural characterization of a new samarium–sodium heterometallic coordination polymer

Lanthanide-containing materials are of interest in the field of crystal engineering because of their unique properties and distinct structure types. In this context, a new samarium–sodium heterometallic coordination polymer, poly[tetrakis(μ 2 -2-formyl-6-methoxyphenolato)samarium(III)sodium(I)], {[SmNa(C 8 H 7 O 3 ) 4 ]·solvent} n ( Sm-1 ), was synthesized and crystallized via slow evaporation from a mixture of ethanol and acetonitrile. The compound features alternating Sm III and Na I ions, which are linked by ortho -vanillin ( o -vanillin) ligands to form a mono-periodic chain-like coordination polymer. The chains propagate along the [001] direction. Residual electron density of disordered solvent molecules in the void space could not be reasonably modeled, thus the SQUEEZE function was applied. The structural, vibrational, and optical properties are reported.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Constraining aerosol–cloud adjustments by uniting surface observations with a perturbed parameter ensemble

Abstract. Aerosol–cloud interactions (ACIs) are the largest source of uncertainty in inferring the magnitude of future warming consistent with the observational record. The effective radiative forcing due to ACI (ERFaci) is dominated by liquid clouds and is composed of two terms: the change in cloud albedo due to redistributing liquid over a larger number of cloud droplets (Nd) and the change in cloud macrophysical properties due to changes in cloud microphysics. These terms are, respectively, referred to as the radiative forcing due to ACI (RFaci) and aerosol–cloud adjustments. While the magnitude of RFaci is uncertain, its sign is confidently negative and results in a cooling in the historical record. In contrast, the adjustment of cloud liquid water path (LWP) to enhanced Nd and associated radiative forcing is uncertain in sign. Increased LWP in response to increased Nd is consistent with precipitation suppression, while decreased LWP in response to increased Nd is consistent with enhanced evaporation from cloud top. Observational constraints of these processes are poor in part because of causal ambiguity in the relationship between Nd and LWP. To better understand this relationship, precipitation (P), Nd, and LWP surface observations from the Eastern North Atlantic (ENA) atmospheric observatory are combined with the output from a perturbed parameter ensemble (PPE) hosted in the Community Atmosphere Model version 6 (CAM6). This allows for causal interpretation of observed covariability. Observations of precipitation and cloud from ENA constrain the range of possible LWP aerosol–cloud adjustments relative to the prior from the PPE by 15 %, resulting in a global value that is confidently positive (a historical cooling) ranging from 2.1 to 6.9 g m−2. It is found that observed covariability between Nd and LWP is dominated by coalescence scavenging and that this observed covariability is not strongly related to aerosol–cloud adjustments.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

A new method for operating a continuous-flow diffusion chamber to investigate immersion freezing: assessment and performance study

Abstract. Glaciation in mixed-phase clouds predominantly occurs through the immersion-freezing mode where ice-nucleating particles (INPs) immersed within supercooled droplets induce the nucleation of ice. Model representations of this process currently are a large source of uncertainty in simulating cloud radiative properties, so to constrain these estimates, continuous-flow diffusion chamber (CFDC)-style INP devices are commonly used to assess the immersion-freezing efficiencies of INPs. This study explored a new approach to operating such an ice chamber that provides maximum activation of particles without droplet breakthrough and correction factor ambiguity to obtain high-quality INP measurements in a manner that previously had not been demonstrated to be possible. The conditioning section of the chamber was maintained at −20 ∘C and water relative humidity (RHw) conditions of 113 % to maximize the droplet activation, and the droplets were supercooled with an independently temperature-controlled nucleation section at a steady cooling rate (0.5 ∘C min−1) to induce the freezing of droplets and evaporation of unfrozen droplets. The performance of the modified compact ice chamber (MCIC) was evaluated using four INP species: K-feldspar, illite-NX, Argentinian soil dust, and airborne soil dusts from an arable region that had shown ice nucleation over a wide span of supercooled temperatures. Dry-dispersed and size-selected K-feldspar particles were generated in the laboratory. Illite-NX and soil dust particles were sampled during the second phase of the Fifth International Ice Nucleation Workshop (FIN-02) campaign, and airborne soil dust particles were sampled from an ambient aerosol inlet. The measured ice nucleation efficiencies of model aerosols that had a surface active site density (ns) metric were higher but mostly agreed within 1 order of magnitude compared to results reported in the literature.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Investigation of the $\gamma $-ray Properties of the $2^+$ States in $^{14}$C

The properties of the 2$^+_1$ and 2$^+_2$ excited states in 14 C were studied in an experiment conducted at Argonne National Laboratory. A 9 Be( 6 Li,pγ) fusion-evaporation reaction and the GRETINA-ORRUBA setup were employed to populate states of 14 C and detect γ-particle coincidence events. Finally, the precise determination of the 2$^+_1$ level energy, complemented by the estimation of the γ-ray branch of the 2$^+_2$ near-threshold state, will serve as a benchmark to test the Shell Model Embedded in the Continuum calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2016

Life Extension of Nuclear Plant Facilities through Monitoring and Detailed Analysis - 16175

The UK has accumulated a substantial legacy of radioactive waste from various civil nuclear and defence programmes. Presently, however most of the UK radioactive waste is generated from nine power stations which generate approximately one sixth of the of the country's electricity. Irradiated fuel is removed from these reactors and safe management of the radioactive solid and liquid effluents is required. The safe management of these effluents is essential. Sellafield, in West Cumbria UK, contains two reprocessing plants, one designed to process nuclear fuel from Magnox reactors (CO{sub 2} cooled with Uranium bar fuel) and the other to process nuclear fuel from Advanced Gas cooled Reactors and Pressurized Water Reactors. The reprocessing stage enables extraction of fissile material for recycling. This leaves a volume of dilute but high-level waste. The high-level radioactive liquid waste is concentrated to reduce its volume and then incorporated into borosilicate glass, using a process called vitrification. The glass is then poured into stainless steel containers and placed in long term storage. This required concentration of HLW liquor is achieved using a suite of aging evaporators. All evaporators are of similar design constructed from corrosion resistant stainless steel having dimensions height ∼11 m, internal diameter 3.05 m and capable of holding 13.7 m{sup 3} of liquor. The basic principle of operation is to heat the dilute liquor under partial vacuum, at constant volume, until the target concentration is achieved. Heating of the liquor is achieved using steam heated coils within the evaporator, and steam in the jacket which surrounds the lower half of the evaporator vessel. The evaporator is then brought to atmospheric pressure and the concentrated liquor is ejected whilst hot. The evaporator is then cooled with water cooled coils and a water filled jacket. New dilute liquor is then added for a new batch. The process is then repeated. As the evaporators reach the end of their original design life accurate prediction of the current condition of nuclear plant facilities is essential to safely justify continued plant operation by ensuring structural integrity. This poses a significant challenge as many aging UK nuclear facilities were not inherently built with inspection in mind. The potential life limiting components of the HA evaporators at Sellafield are the surfaces that contact the product liquor at elevated temperatures i.e. the steam heated surfaces of the coils within the evaporator vessel and the vessel base and wall surrounded by the steam jacket. Each heating component is critical to the operational life of the evaporator - the removal from service of a coil heating component significantly reduces the operational flexibility and remnant life of this plant. Over the last decade a variety of cutting-edge expertise and methodologies have been utilised to accurately measure and then predict the current condition of the plant and also to predict its remnant life. This paper provides an overview of the development of several techniques deployed, namely non-destructive testing/inspection, in-house software development and finite element modelling. These methods have been validated by lab-scale or full-scale experiments along with historical plant data. These techniques have been evolved and refined for over a decade, providing vital insights into the physical behaviour of this complex reprocessing system. This enables not only accurate assessment of the current condition of the plant equipment but also allows scientifically underpinned predictions to be made of how it will behave into the future. This is critical for Sellafield as this knowledge feeds into their safety case to the Office of Nuclear Regulation to justify continued operation. It is concluded that this integrated approach provides a robust analysis tool which has driven change and optimisation of plant procedures ensuring continued safe operation whilst extending the life of the facility. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Groundwater sustainability and groundwater/surface-water interaction in arid Dunhuang Basin, northwest China

The Dunhuang Basin, a typical inland basin in northwestern China, suffers a net loss of groundwater and the occasional disappearance of the Crescent Lake. Within this region, the groundwater/surface-water interactions are important for the sustainability of the groundwater resources. A three-dimensional transient groundwater flow model was established and calibrated using MODFLOW 2000, which was used to predict changes to these interactions once a water diversion project is completed. The simulated results indicate that introducing water from outside of the basin into the Shule and Danghe rivers could reverse the negative groundwater balance in the Basin. River-water/groundwater interactions control the groundwater hydrology, where river leakage to the groundwater in the Basin will increase from 3,114 × 10{sup 4} m{sup 3}/year in 2017 to 11,875 × 10{sup 4} m{sup 3}/year in 2021, and to 17,039 × 10{sup 4} m{sup 3}/year in 2036. In comparison, groundwater discharge to the rivers will decrease from 3277 × 10{sup 4} m{sup 3}/year in 2017 to 1857 × 10{sup 4} m{sup 3}/year in 2021, and to 510 × 10{sup 4} m{sup 3}/year by 2036; thus, the hydrology will switch from groundwater discharge to groundwater recharge after implementing the water diversion project. The simulation indicates that the increased net river infiltration due to the water diversion project will raise the water table and then effectively increasing the water level of the Crescent Lake, as the lake level is contiguous with the water table. However, the regional phreatic evaporation will be enhanced, which may intensify soil salinization in the Dunhuang Basin. These results can guide the water allocation scheme for the water diversion project to alleviate groundwater depletion and mitigate geo-environmental problem.

58 GEOSCIENCES↗

DOE OSTI2014

Ionization in atmospheres of brown dwarfs and extrasolar planets VI: Properties of large-scale discharge events

Mineral clouds in substellar atmospheres play a special role as a catalyst for a variety of charge processes. If clouds are charged, the surrounding environment becomes electrically activated, and ensembles of charged grains are electrically discharging (e.g., by lightning), which significantly influences the local chemistry creating conditions similar to those thought responsible for life in early planetary atmospheres. We note that such lightning discharges contribute also to the ionization state of the atmosphere. We apply scaling laws for electrical discharge processes from laboratory measurements and numerical experiments to DRIFT-PHOENIX model atmosphere results to model the discharge's propagation downward (as lightning) and upward (as sprites) through the atmospheric clouds. We evaluate the spatial extent and energetics of lightning discharges. The atmospheric volume affected (e.g., by increase of temperature or electron number) is larger in a brown dwarf atmosphere (10{sup 8}-10{sup 10} m{sup 3}) than in a giant gas planet (10{sup 4}-10{sup 6} m{sup 3}). Our results suggest that the total dissipated energy in one event is <10{sup 12} J for all models of initial solar metallicity. First attempts to show the influence of lightning on the local gas phase indicate an increase of small carbohydrate molecules like CH and CH{sub 2} at the expense of CO and CH{sub 4}. Dust-forming molecules are destroyed and the cloud particle properties are frozen in unless enough time is available for complete evaporation. We summarize instruments potentially suitable to observe lightning on extrasolar objects.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Central Facilities Area Sewage Lagoon Evaluation

The Central Facilities Area (CFA) located in Butte County, Idaho at Idaho National Laboratory (INL) has an existing wastewater system to collect and treat sanitary wastewater and non contact cooling water from the facility. The existing treatment facility consists of three cells: Cell 1 has a surface area of 1.7 acres, Cell 2 has a surface area of 10.3 acres, and Cell 3 has a surface area of 0.5 acres. If flows exceed the evaporative capacity of the cells, wastewater is discharged to a 73.5 acre land application site that utilizes a center pivot irrigation sprinkler system. The purpose of this current study is to update the analysis and conclusions of the December 2013 study. In this current study, the new seepage rate and influent flow rate data have been used to update the calculations, model, and analysis.

42 ENGINEERING↗

DOE OSTI2024

Global and regional hydrological impacts of global forest expansion

Abstract. Large-scale reforestation, afforestation, and forest restoration schemes have gained global support as climate change mitigation strategies due to their significant carbon dioxide removal (CDR) potential. However, there has been limited research into the unintended consequences of forestation from a biophysical perspective. In the Community Earth System Model version 2 (CESM2), we apply a global forestation scenario, within a Paris Agreement-compatible warming scenario, to investigate the land surface and hydroclimate response. Compared to a control scenario where land use is fixed to present-day levels, the forestation scenario is up to 2 °C cooler at low latitudes by 2100, driven by a 10 % increase in evaporative cooling in forested areas. However, afforested areas where grassland or shrubland are replaced lead to a doubling of plant water demand in some tropical regions, causing significant decreases in soil moisture (∼ 5 % globally, 5 %–10 % regionally) and water availability (∼ 10 % globally, 10 %–15 % regionally) in regions with increased forest cover. While there are some increases in low cloud and seasonal precipitation over the expanded tropical forests, with enhanced negative cloud radiative forcing, the impacts on large-scale precipitation and atmospheric circulation are limited. This contrasts with the precipitation response to simulated large-scale deforestation found in previous studies. The forestation scenario demonstrates local cooling benefits without major disruption to global hydrodynamics beyond those already projected to result from climate change, in addition to the cooling associated with CDR. However, the water demands of extensive forestation, especially afforestation, have implications for its viability, given the uncertainty in future precipitation changes.

Environmental Sciences & Ecology↗

DOE OSTI2016

A high-fidelity approach towards simulation of pool boiling

A novel numerical approach is developed to simulate the multiscale problem of pool-boiling phase change. The particular focus is to develop a simulation technique that is capable of predicting the heat transfer and hydrodynamic characteristics of nucleate boiling and the transition to critical heat flux on surfaces of arbitrary shape and roughness distribution addressing a critical need to design enhanced boiling heat transfer surfaces. The macro-scale of the phase change and bubble dynamics is addressed through employing off-the-shelf Computational Fluid Dynamics (CFD) methods for interface tracking and interphase mass and energy transfer. The micro-scale of the microlayer, which forms at early stage of bubble nucleation near the wall, is resolved through asymptotic approximation of the thin-film theory which provides a closed-form solution for the distribution of the micro-layer and its influence on the evaporation process. In addition, the sub-grid surface roughness is represented stochastically through probabilistic density functions and its role in bubble nucleation and growth is then represented based on the thermodynamics of nucleation process. This combination of deterministic CFD, local approximation, and stochastic representation allows the simulation of pool boiling on any surface with known roughness and enhancement characteristics. The numerical model is validated for dynamics and hydrothermal characteristics of a single nucleated bubble on a flat surface against available literature data. In addition, the prediction of pool-boiling heat transfer coefficient is verified against experimental measurements as well as reputable correlations for various roughness distributions and different surface orientations. Finally, the model is employed to demonstrate pool-boiling phenomenon on enhanced structures with reentrance cavities and to explore the effect of enhancement feature design on thermal and hydrodynamic characteristics of these surfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗