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DOE OSTI2024

Observation of collective modes of excitations in 59 Co, 59 Ni, and 61 Co and the influence of the $g_{9/2}$ orbital

High-spin states in 59 Co (Z = 27), 59 Ni (Z = 28), and 61 Co have been populated by the fusion evaporation reactions, 48 Ti( 14 C, p2n ) 59 Co, 48 Ti( 14 C, 3 n ) 59 Ni, and 50 Ti( 14 C, p2n ) 61 Co. The 9 MV tandem accelerator at the John D. Fox Laboratory, Florida State University (FSU) was used to accelerate the 14 C beam and the deexciting γ rays were detected by the FSU detector array consisting of six high-purity germanium (HPGe) clover detectors and three single crystals. Directional correlation of the $γ$ rays deexciting oriented states (DCO ratios) and polarization asymmetry measurements helped to establish spin and parities of the excited states whenever possible. The level scheme of 59 Co has been expanded with the inclusion of positive-parity states up to 31/2 + at around 11 MeV. The 59 Ni positive-parity states known from previous study were verified with modifications to some of the spins and parities. On the other hand, the negative-parity states were extended to 31/2 at an excitation energy of 12 MeV. No new transition was observed for 61 Co, but one of the major bands has been reassigned as consisting of positive-parity states by reason of this study. Importantly, excitations observed within the f 7/2 , p 3/2 , f 5/2 , and p 1/2 orbitals, and also across the N = 40 subshell closure into the g 9/2 orbital was established by comparison with large-scale shell-model calculations for the three nuclei studied.

59 ≤ A ≤ 89↗

DOE OSTI2016

Characterization of Sr-90 Drums at the Hanford 618-10 Burial Ground - 16132

The 618-10 Burial Ground on the Hanford Reservation was an early trench waste site used for the disposal of waste from the 300 Area at Hanford. Much of this waste consisted of residues from evaluations of failed fuel as well as various process and separations studies associated with the Department of Energy (DOE) mission which were performed in the 300 Area between March 1954 and September 1963. Historical records indicated that there were also several drums which contained significant quantities of separated Sr-90. Cleanup of the 618-10 burial ground is covered under the Washington Closure Hanford (WCH) contract. Due to the proximity of the 618-10 site to the Columbia River, waste is being removed from the 618-10 site, stabilized, and disposed of into either the Environmental Restoration Disposal Facility (ERDF) if the containers are determined to be LLW or transferred to the Hanford Central Waste Complex (CWC) if the containers are suspected to be TRU waste. In order to determine the correct disposal path, Non Destructive Assay (NDA) must be performed on all of the containers excavated from the trenches. The NDA of these containers is performed using germanium gamma spectroscopy with an In Situ Object Counting System (ISOCS) and with a neutron slab counter. Occasional ISOCS spectra exhibited a characteristic Sr-90/Y-90 Bremsstrahlung continuum. In some cases there were measurable gammas present, however in other cases only the Bremsstrahlung continuum was present. Typically Sr-90 is correlated to Cs-137 as they are normally produced in approximately a 1:1 ratio during the fission process. For some of these drums there was no Cs-137 detectable and therefore no way to quantify the Sr-90. Due to concerns about providing a reasonable and conservative nuclide inventory it was decided to evaluate a technique to utilize data from the Bremsstrahlung continuum to quantify the Sr-90 activity in these drums. The development of the technique combined MCNP modeling and comparison of measured gammas to the continuum for a well-defined waste stream. The final result showed reasonable correlation to the expected scaling factors for many drums, while also providing a reasonable measured value for drums with significantly enhanced Sr-90 concentrations. Ultimately all drums were demonstrated to be within the ERDF waste acceptance criteria. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2013

Deformations of polyhedra and polygons by the unitary group

We introduce the set of framed (convex) polyhedra with N faces as the symplectic quotient C{sup 2N}//SU(2). A framed polyhedron is then parametrized by N spinors living in C{sup 2} satisfying suitable closure constraints and defines a usual convex polyhedron plus extra U(1) phases attached to each face. We show that there is a natural action of the unitary group U(N) on this phase space, which changes the shape of faces and allows to map any (framed) polyhedron onto any other with the same total (boundary) area. This identifies the space of framed polyhedra to the Grassmannian space U(N)/ (SU(2)×U(N−2)). We show how to write averages of geometrical observables (polynomials in the faces' area and the angles between them) over the ensemble of polyhedra (distributed uniformly with respect to the Haar measure on U(N)) as polynomial integrals over the unitary group and we provide a few methods to compute these integrals systematically. We also use the Itzykson-Zuber formula from matrix models as the generating function for these averages and correlations. In the quantum case, a canonical quantization of the framed polyhedron phase space leads to the Hilbert space of SU(2) intertwiners (or, in other words, SU(2)-invariant states in tensor products of irreducible representations). The total boundary area as well as the individual face areas are quantized as half-integers (spins), and the Hilbert spaces for fixed total area form irreducible representations of U(N). We define semi-classical coherent intertwiner states peaked on classical framed polyhedra and transforming consistently under U(N) transformations. And we show how the U(N) character formula for unitary transformations is to be considered as an extension of the Itzykson-Zuber to the quantum level and generates the traces of all polynomial observables over the Hilbert space of intertwiners. We finally apply the same formalism to two dimensions and show that classical (convex) polygons can be described in a similar fashion trading the unitary group for the orthogonal group. We conclude with a discussion of the possible (deformation) dynamics that one can define on the space of polygons or polyhedra. This work is a priori useful in the context of discrete geometry but it should hopefully also be relevant to (loop) quantum gravity in 2+1 and 3+1 dimensions when the quantum geometry is defined in terms of gluing of (quantized) polygons and polyhedra.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRSDate not supplied

Interlaminar R-Curve Effects in Thermoplastic Composites: Experiments and Model Correlations

The interlaminar fracture behavior of thermoplastic composites under Mode-I and Mode-II static loading is investigated in this research. The material system under consideration is a carbon fiber reinforced low melt semi-crystalline resin TC1225 LMPAEK T700G (T700/LMPAEK)†. Characterization experiments were conducted to measure the load-displacement response, peak load, and propagation of delamination from a pre-implanted Kapton® insert. The Mode-I response was characterized using a double cantilever beam (DCB) test according to the ASTM D5528-22 standard. It was observed that the propagation exhibited significant resistance to delamination growth, i.e., an R-Curve effect. The test data indicated that the steady-state fracture toughness, G SS I , was approximately twice the mean initiation fracture toughness, G Ic . The Mode-II response of an end notch flexure (ENF) specimen tested according to the ASTM D7905-19 standard exhibited an unexpected stable behavior upon attaining peak load. Prior to attaining peak load, the Mode-II response exhibited some non-linearity, which may be attributed to nonlinear bulk material response, e.g., hyper-elasticity, viscoelasticity, plasticity, etc., and potentially friction at the load/support rollers and R-Curve effects. Finite element models based on the Cohesive Zone Method (CZM) and the Virtual Crack Closure Technique (VCCT) were used to predict the DCB and ENF specimen responses. DCB analysis results obtained using G SS I predicted propagation consistent with experimental data. However, results obtained with the as characterized G Ic were inaccurate in predicting delamination growth onset and peak load. ENF analysis results obtained with the as-characterized Mode-II fracture toughness, G IIc , were inaccurate in predicting the peak load and propagation. Hence, R-Curve effects were included in both DCB and ENF simulations, which enabled improved predictions. The experimentally determined Mode-I R-Curve was used for the DCB simulations, whereas an R-Curve was derived for Mode-II assuming that the change in compliance of the specimen was associated with crack growth only.

Prabhakar M Rao↗

NASA NTRSDate not supplied

Interlaminar R-Curve Effects in Thermoplastic Composites: Experiments and Model Correlations

Prabhakar Rao↗

DOE OSTI2019

A Fokker–Planck approach to a moment closure for mixing in variable-density turbulence

We develop a theory for the cascade mixing terms in a moment closure approach to binary active scalar mixing in variable-density turbulence. To address the variable-density complications we apply, as a principle and constraint, the conservation of the probability density function (PDF) through a Fokker–Planck equation with bounded sample space whose attractor is the beta PDF with skewness. Mixing is related to a single-point PDF as a realisability principle to provide mathematically rigorous expressions for the small scale statistics in terms of largescale moments. The problem of the unknown small-scale mixing is replaced with the determination of the drift and diffusion terms of a Fokker–Planck equation in a beta-PDF-convergent stochastic process. We find that realisability of a beta-convergent process requires the mixing time-scale ratio, taken as a constant in passive scalar mixing, to be a function of the mean mass fraction, mean fluid density, the Atwood number, the density-volume correlation and moments of the density field. We develop and compare the new model with direct numerical simulations data of non-stationary homogeneous variable-density turbulence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2022

Evaluation of remote sensing-based evapotranspiration products at low-latitude eddy covariance sites

Remote sensing-based evapotranspiration (ET) products have been evaluated primarily using data from northern middle latitudes; therefore, little is known about their performance at low latitudes. To address this bias, an evaluation dataset was compiled using eddy covariance data from 40 sites between latitudes 30° S and 30° N. The flux data were obtained from the emerging network in Mexico (MexFlux) and from openly available databases of FLUXNET, AsiaFlux, and OzFlux. This unique reference dataset was then used to evaluate remote sensing-based ET products in environments that have been underrepresented in earlier studies. The evaluated products were: MODIS ET (MOD16, both the discontinued collection 5 (C5) and the latest collection (C6)), Global Land Evaporation Amsterdam Model (GLEAM) ET, and Atmosphere-Land Exchange Inverse (ALEXI) ET. Products were compared with unadjusted fluxes (ETorig) and with fluxes corrected for the lack of energy balance closure (ETebc). Three common statistical metrics were used: coefficient of determination (R2), root mean square error (RMSE), and percent bias (PBIAS). The effect of a vegetation mismatch between pixel and site on product evaluation results was investigated by examining the relationship between the statistical metrics and product-specific vegetation match indexes. Evaluation results of this study and those published in the literature were used to examine the performance of the products across latitudes. Differences between the MOD16 collection 5 and 6 datasets were generally smaller than differences with the other products. Performance and ranking of the evaluated products depended on whether ETorig or ETebc was used. When using ETorig, GLEAM generally had the highest R2, smallest PBIAS, and best RMSE values across the studied land cover types and climate zones. Neither MOD16 nor ALEXI performed consistently better than the other. When using ETebc, none of the products stood out in terms of both low bias and strong correlations. The use of ETebc instead of ETorig affected the biases more than the correlations. The product evaluation results showed no significant relationship with the degree of match between the vegetation at the pixel and site scale. The latitudinal comparison showed tendencies of lower R2 (all products) but better PBIAS and normalized RMSE values (MOD16 and GLEAM) for forests at low latitudes than for forests at northern middle latitudes. For non-forest vegetation, the products showed no clear latitudinal differences in performance.

Diego Salazar-Martínez↗

NASA NTRS1995

Modeling and simulation of a turbulent far wake

Work continued on two projects which had been started during previous years. Both projects involve calculations of the subsonic, turbulent far wake of a two-dimensional object at a Reynolds number of 1000 (based on wake momentum thickness). This flow was used as a test case for direct comparison of various turbulence models and a direct numerical simulations (DNS) of this flow were undertaken. In the turbulence model comparison studies, for any particular model tested, a unique self-similar solution was obtained far enough downstream, regardless of inlet conditions. Furthermore, different turbulence models led to different far-wake equilibrium solutions. No turbulence model could correctly predict all features of the turbulent far wake. For example, the spreading rate and turbulent shear stresses were underpredicted by all the standard models (both two-equation and full Reynolds stress models). In cases where a more correct spreading rate was achieved, it was at the expense of the turbulent kinetic energy, which was overpredicted. In general, the Algebraic Dissipation Rate Model of Gatski and Speziale, 1992, when added to any of the standard models, improved the results dramatically. Also, full Reynolds stress closure models did a much better job at predicting the shapes of both the mean and turbulence profiles, but the spreading rate was not significantly improved over that predicted by the simpler two-equation models. There are two main conclusions from these studies: First, in a comparison such as this, it is not enough to compare just one parameter, like the spreading rate. A good prediction for one parameter does not necessarily imply good predictions for all parameters in a flow. Second, since no turbulence model could correctly predict the turbulent far wake, much of the important physics of turbulent free shear flows is apparently lost by the assumptions inherent in today's methods of turbulence modeling; turbulence models must be improved. Direct simulations of this flow were begun last year in order to provide a data base through which some of the deficiencies of the existing turbulence models could be identified. Quantities such as the pressure-strain correlation, turbulent diffusion, and the dissipation rate tensor can be easily calculated from the DNS results, whereas these quantities are nearly impossible to measure experimentally. Improvements to existing turbulence models (and development of new models) require knowledge about flow quantities such as these. During this summer, diagnostics codes were written which will calculate the parameters mentioned above, along with other single-point and multi-point statistics. The DNS calculations are still in progress at the time of this writing. When these calculations are complete, the diagnostics codes will be applied so that the results can aid turbulence modelers. In addition, the results will show whether or not there exists a universal equilibrium turbulent far wake, independent of initial conditions.

Cimbala, John M.↗

NASA NTRS1996

Turbulence Modeling and Computation of Turbine Aerodynamics and Heat Transfer

The objective of the present research is to develop improved turbulence models for the computation of complex flows through turbomachinery passages, including the effects of streamline curvature, heat transfer and secondary flows. Advanced turbulence models are crucial for accurate prediction of rocket engine flows, due to existance of very large extra strain rates, such as strong streamline curvature. Numerical simulation of the turbulent flows in strongly curved ducts, including two 180-deg ducts, one 90-deg duct and a strongly concave curved turbulent boundary layer have been carried out with Reynolds stress models (RSM) and algebraic Reynolds stress models (ARSM). An improved near-wall pressure-strain correlation has been developed for capturing the anisotropy of turbulence in the concave region. A comparative study of two modes of transition in gas turbine, the by-pass transition and the separation-induced transition, has been carried out with several representative low-Reynolds number (LRN) k-epsilon models. Effects of blade surface pressure gradient, freestream turbulence and Reynolds number on the blade boundary layer development, and particularly the inception of transition are examined in detail. The present study indicates that the turbine blade transition, in the presence of high freestream turbulence, is predicted well with LRN k-epsilon models employed. The three-dimensional Navier-Stokes procedure developed by the present authors has been used to compute the three-dimensional viscous flow through the turbine nozzle passage of a single stage turbine. A low Reynolds number k-epsilon model and a zonal k-epsilon/ARSM (algebraic Reynolds stress model) are utilized for turbulence closure. An assessment of the performance of the turbulence models has been carried out. The two models are found to provide similar predictions for the mean flow parameters, although slight improvement in the prediction of some secondary flow quantities has been obtained by the ARSM model. It's found that the wake profiles inside the endwall boundary layers are predicted better than those near the mid-span.

Lakshminarayana, B.↗

DOE OSTI2024

Synchrotron self-Compton in a radiative-adiabatic fireball scenario: modelling the multiwavelength observations in some Fermi /LAT bursts

Energetic GeV photons expected from the closest and the most energetic Gamma-ray bursts (GRBs) provide a unique opportunity to study the very-high-energy emission as well as the possible correlations with lower energy bands in realistic GRB afterglow models. In the standard GRB afterglow model, the relativistic homogeneous shock is usually considered to be fully adiabatic, however, it could be partially radiative. Based on the external forward-shock scenario in both stellar wind and constant-density medium, we present a radiative-adiabatic analytical model of the synchrotron self-Compton (SSC) and synchrotron processes considering an electron energy distribution with a power-law index of $1\lt p\lt 2$ and $2\le p$. We show that the SSC scenario plays a relevant role in the radiative parameter $\epsilon$, leading to a prolonged evolution during the slow cooling regime. In a particular case, we derive the Fermi/LAT light curves together with the photons with energies $\ge 100$ MeV in a sample of nine bursts from the second Fermi/LAT GRB catalogue that exhibited temporal and spectral indices with $\gtrsim 1.5$ and $\approx 2$, respectively. These events can hardly be described with closure relations of the standard synchrotron afterglow model, and also exhibit energetic photons above the synchrotron limit. We have modelled the multiwavelength observations of our sample to constrain the microphysical parameters, the circumburst density, the bulk Lorentz factor, and the mechanism responsible for explaining the energetic GeV photons.

acceleration of particles↗

DOE OSTI2017

Evaluation of bubble-induced turbulence using direct numerical simulation

Not Available

Feng, Jinyong↗

DOE OSTI2017

A Study Of Geological Disposal Facility (GDF) Ageing Phenomena In Bentonite - 17605

Since the 1950's, the UK's nuclear activity in energy, defence and medicine has led to the accumulation of a large amount of higher activity radioactive waste (HAW). Most of nuclear waste arises in a wide variety of physical and chemical forms with different radioisotopes and loadings. Due to complexity in HAW, it is imperative that there be a rigorous management system that ensures population and environmental safety over extended periods. The concept of Deep Geological Disposal of waste in a stable geological formation is, nowadays, an internationally accepted solution as the surest and the most viable long term method for management. Any future Geological Disposal Facility (GDF) will comprise, among other artificial and natural engineered barriers, a barrier immediately around the waste containers compounded by a sealing material. The long-term stability of a GDF will be determined by the design and construction of the engineered barriers, and the mechanical, hydraulic and geochemical interactions that may happen between the different engineered components as a result of combined processes such as the heat produced by radioactive decay and the ion water composition of the surrounding host rock. Bentonite clay has been selected as the most promising buffer and backfill material in many disposal programmes because of its swelling capacity, low permeability, plasticity and cation exchange capacity. In the nuclear scope, bentonite testing at different scale-lengths (laboratory and field scale) has been performed and implemented in order to examine the thermo-hydro-mechanical (THM) and thermo-hydro-geochemical (THG) processes that may happen in the engineered barriers and geological settings associated with a GDF. Two major European field scale tests have been performed to better understand bentonite performance and behaviour immediately after HAW emplacements. The Full-Scale Engineered Barriers Experiment (FEBEX) at the Grimsel Test Sit (Switzerland) and the Alternative Buffer Material (ABM) Project at the Aespoe Hard Rock Laboratory (Sweden). The Febex Experiment was a pilot project designed for 'field research' of HAW repository hosted in crystalline rock where surrogate HAW canisters were placed horizontally in drifts, surrounded by compacted blocks of bentonite, sealed by a concrete plug and maintaining a constant canister surface temperature of 100 deg. C. After five years of operation, a partial dismantling was carried out in 2002. Heater processes occurring in the surrounding bentonite. The dismantling of the heater no. 2 (after 18 years of operation) started in late 2014 and is planned to be finished at the end of 2016 (termed FEBEX-DP). The FEBEX Project utilised bentonite from the Cortijo de Archidona deposit (Almeria, Spain). This 'Febex' bentonite is sourced from calcium-magnesium montmorillonite with good properties in relation to swelling capacity, permeability, adsorption capacity, and thermal conductivity. The ABM Project is a large-scale programme that has been running since 2006. The programme is designed to study a suite of possible buffer materials and correlate the physical and chemical properties of eleven different types of bentonites to their fundamental mineralogical properties. The ABM test consists in three 'packages' containing a central heater tube surrounded by different pre-compacted bentonite blocks and instrumentation. Each 'package' was installed in separate boreholes. The target temperature for the surface of the heated tubes in contact with the bentonite was 130 deg. C. Both FEBEX and ABM test the bentonite was saturated with water percolating from surrounding host rock (FEBEX and ABM) and also via artificial supply systems (ABM), being the water itself acting as a long term corrosion agent. For both experiments and emerging interest is in the interaction of bentonite with metallic components, under geological disposal conditions are not considered to be thermodynamically stable and hence arising corrosion products could interact with the buffer. These interactions depend on various factors such as the redox potential, temperature, pH, solute concentration and buffer material characteristics. During the operational phases of the FEBEX and ABM and after its 'closure' a significant volume of air was found to be retained in the bentonite. Under these conditions a period of initial aerobic corrosion by the air in the bentonite barrier would have occurred followed by establishment of anaerobic corrosion would be the dominant process ongoing. The anaerobic corrosion began when the bentonite became water saturated. Under these conditions, the water acted as the major oxidant. The present project focuses on the characterization of samples arising from the FEBEX and ABM Projects as well as performing additional independent experiments designed to complement these prior studies. Characterization will focus mainly on corrosion related alteration combined with thermal effects. Through detailed sample characterization, the intention is to achieve a greater knowledge regarding the changes to the bentonite under the experimental conditions to which it was exposed, and plausible alterations in its THM and THG properties occurring during the experiment due to blended effects of temperature,water content, engineering structural components and solutes are also to be measured. The fulfilment of a large-scale 'in-situ' test is intricate, time-consuming and with an abundance of external variables that are not always well controlled. For this reason, the University of Bristol is performing a series of well constrained time-resolved laboratory tests which bentonite is being subjected to different possible scenarios that may happen whilst in a HAW repository. In virtue of this experiment, the UoB aims to understand the illitisation and cementation process and their effects on bentonite safety properties. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

Effects of radiative heat transfer on the turbulence structure in inert and reacting mixing layers

We use large-eddy simulation to study the interaction between turbulence and radiative heat transfer in low-speed inert and reacting plane temporal mixing layers. An explicit filtering scheme based on approximate deconvolution is applied to treat the closure problem arising from quadratic nonlinearities of the filtered transport equations. In the reacting case, the working fluid is a mixture of ideal gases where the low-speed stream consists of hydrogen and nitrogen and the high-speed stream consists of oxygen and nitrogen. Both streams are premixed in a way that the free-stream densities are the same and the stoichiometric mixture fraction is 0.3. The filtered heat release term is modelled using equilibrium chemistry. In the inert case, the low-speed stream consists of nitrogen at a temperature of 1000 K and the highspeed stream is pure water vapour of 2000 K, when radiation is turned off. Simulations assuming the gas mixtures as gray gases with artificially increased Planck mean absorption coefficients are performed in which the large-eddy simulation code and the radiation code PRISSMA are fully coupled. In both cases, radiative heat transfer is found to clearly affect fluctuations of thermodynamic variables, Reynolds stresses, and Reynolds stress budget terms like pressure-strain correlations. Source terms in the transport equation for the variance of temperature are used to explain the decrease of this variance in the reacting case and its increase in the inert case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

2D Seismic Reflection Data across Central Illinois

In a continuing collaboration with the Midwest Geologic Sequestration Consortium (MGSC) on the Evaluation of the Carbon Sequestration Potential of the Cambro-Ordovician Strata of the Illinois and Michigan Basins project, Schlumberger Carbon Services and WesternGeco acquired two-dimensional (2D) seismic data in the Illinois Basin. This work included the design, acquisition and processing of approximately 125 miles of (2D) seismic reflection surveys running west to east in the central Illinois Basin. Schlumberger Carbon Services and WesternGeco oversaw the management of the field operations (including a pre-shoot planning, mobilization, acquisition and de-mobilization of the field personnel and equipment), procurement of the necessary permits to conduct the survey, post-shoot closure, processing of the raw data, and provided expert consultation as needed in the interpretation of the delivered product. Three 2D seismic lines were acquired across central Illinois during November and December 2010 and January 2011. Traversing the Illinois Basin, this 2D seismic survey was designed to image the stratigraphy of the Cambro-Ordovician sections and also to discern the basement topography. Prior to this survey, there were no regionally extensive 2D seismic data spanning this section of the Illinois Basin. Between the NW side of Morgan County and northwestern border of Douglas County, these seismic lines ran through very rural portions of the state. Starting in Morgan County, Line 101 was the longest at 93 miles in length and ended NE of Decatur, Illinois. Line 501 ran W-E from the Illinois Basin – Decatur Project (IBDP) site to northwestern Douglas County and was 25 miles in length. Line 601 was the shortest and ran N-S past the IBDP site and connected lines 101 and 501. All three lines are correlated to well logs at the IBDP site. Originally processed in 2011, the 2D seismic profiles exhibited a degradation of signal quality below ~400 millisecond (ms) which made interpretation of the Mt. Simon and Knox sections difficult. The data quality also gradually decreased moving westward across the state. To meet evolving project objectives, in 2012 the seismic data was re-processed using different techniques to enhance the signal quality thereby rendering a more coherent seismic profile for interpreters. It is believed that the seismic degradation could be caused by shallow natural gas deposits and Quaternary sediments (which include abandoned river and stream channels, former ponds, and swamps with peat deposits) that may have complicated or changed the seismic wavelet. Where previously limited by seismic coverage, the seismic profiles have provided valuable subsurface information across central Illinois. Some of the interpretations based on this survey included, but are not limited to: - Stratigraphy generally gently dips to the east from Morgan to Douglas County. - The Knox Supergroup roughly maintains its thickness. There is little evidence for faulting in the Knox. However, at least one resolvable fault penetrates the entire Knox section. - The Eau Claire Formation, the primary seal for the Mt. Simon Sandstone, appears to be continuous across the entire seismic profile. - The Mt. Simon Sandstone thins towards the western edge of the basin. As a result, the highly porous lowermost Mt. Simon section is absent in the western part of the state. - Overall basement dip is from west to east. - Basement topography shows evidence of basement highs with on-lapping patterns by Mt. Simon sediments. - There is evidence of faults within the lower Mt. Simon Sandstone and basement rock that are contemporaneous with Mt. Simon Sandstone deposition. These faults are not active and do not penetrate the Eau Claire Shale. It is believed that these faults are associated with a possible failed rifting event 750 to 560 million years ago during the breakup of the supercontinent Rodinia.

Smith, Valerie↗

DOE OSTI2015

A priori and a posteriori investigations for developing large eddy simulations of multi-species turbulent mixing under high-pressure conditions

A Direct Numerical Simulation (DNS) database was created representing mixing of species under high-pressure conditions. The configuration considered is that of a temporally evolving mixing layer. The database was examined and analyzed for the purpose of modeling some of the unclosed terms that appear in the Large Eddy Simulation (LES) equations. Several metrics are used to understand the LES modeling requirements. First, a statistical analysis of the DNS-database large-scale flow structures was performed to provide a metric for probing the accuracy of the proposed LES models as the flow fields obtained from accurate LESs should contain structures of morphology statistically similar to those observed in the filtered-and-coarsened DNS (FC-DNS) fields. To characterize the morphology of the large-scales structures, the Minkowski functionals of the iso-surfaces were evaluated for two different fields: the second-invariant of the rate of deformation tensor and the irreversible entropy production rate. To remove the presence of the small flow scales, both of these fields were computed using the FC-DNS solutions. It was found that the large-scale structures of the irreversible entropy production rate exhibit higher morphological complexity than those of the second invariant of the rate of deformation tensor, indicating that the burden of modeling will be on recovering the thermodynamic fields. Second, to evaluate the physical effects which must be modeled at the subfilter scale, an a priori analysis was conducted. This a priori analysis, conducted in the coarse-grid LES regime, revealed that standard closures for the filtered pressure, the filtered heat flux, and the filtered species mass fluxes, in which a filtered function of a variable is equal to the function of the filtered variable, may no longer be valid for the high-pressure flows considered in this study. The terms requiring modeling are the filtered pressure, the filtered heat flux, the filtered pressure work, and the filtered species mass fluxes. Improved models were developed based on a scale-similarity approach and were found to perform considerably better than the classical ones. These improved models were also assessed in an a posteriori study. Different combinations of the standard models and the improved ones were tested. At the relatively small Reynolds numbers achievable in DNS and at the relatively small filter widths used here, the standard models for the filtered pressure, the filtered heat flux, and the filtered species fluxes were found to yield accurate results for the morphology of the large-scale structures present in the flow. Analysis of the temporal evolution of several volume-averaged quantities representative of the mixing layer growth, and of the cross-stream variation of homogeneous-plane averages and second-order correlations, as well as of visualizations, indicated that the models performed equivalently for the conditions of the simulations. The expectation is that at the much larger Reynolds numbers and much larger filter widths used in practical applications, the improved models will have much more accurate performance than the standard one.

42 ENGINEERING↗

DOE OSTI2022

A coupled ground heat flux–surface energy balance model of evaporation using thermal remote sensing observations

Abstract. One of the major undetermined problems in evaporation (ET) retrieval using thermal infrared remote sensing is the lack of a physically based ground heat flux (G) model and its integration within the surface energy balance (SEB) equation. Here, we present a novel approach based on coupling a thermal inertia (TI)-based mechanistic G model with an analytical surface energy balance model, Surface Temperature Initiated Closure (STIC, version STIC1.2). The coupled model is named STIC-TI. The model is driven by noon–night (13:30 and 01:30 local time) land surface temperature, surface albedo, and a vegetation index from MODIS Aqua in conjunction with a clear-sky net radiation sub-model and ancillary meteorological information. SEB flux estimates from STIC-TI were evaluated with respect to the in situ fluxes from eddy covariance measurements in diverse ecosystems of contrasting aridity in both the Northern Hemisphere and Southern Hemisphere. Sensitivity analysis revealed substantial sensitivity of STIC-TI-derived fluxes due to the land surface temperature uncertainty. An evaluation of noontime G (Gi) estimates showed 12 %–21 % error across six flux tower sites, and a comparison between STIC-TI versus empirical G models also revealed the substantially better performance of the former. While the instantaneous noontime net radiation (RNi) and latent heat flux (LEi) were overestimated (15 % and 25 %), sensible heat flux (Hi) was underestimated (22 %). Overestimation (underestimation) of LEi (Hi) was associated with the overestimation of net available energy (RNi−Gi) and use of unclosed surface energy balance flux measurements in LEi (Hi) validation. The mean percent deviations in Gi and Hi estimates were found to be strongly correlated with satellite day–night view angle difference in parabolic and linear pattern, and a relatively weak correlation was found between day–night view angle difference versus LEi deviation. Findings from this parameter-sparse coupled G–ET model can make a valuable contribution to mapping and monitoring the spatiotemporal variability of ecosystem water stress and evaporation using noon–night thermal infrared observations from future Earth observation satellite missions such as TRISHNA, LSTM, and SBG.

Bhattacharya, Bimal K.↗

DOE OSTI2021

Diel cycle impacts on the chemical and light absorption properties of organic carbon aerosol from wildfires in the western United States

Abstract. Organic aerosol (OA) emissions from biomass burning have been the subject of intense research in recent years, involving a combination of field campaigns and laboratory studies. These efforts have aimed at improving our limited understanding of the diverse processes and pathways involved in the atmospheric processing and evolution of OA properties, culminating in their accurate parameterizations in climate and chemical transport models. To bring closure between laboratory and field studies, wildfire plumes in the western United States were sampled and characterized for their chemical and optical properties during the ground-based segment of the 2019 Fire Influence on Regional to Global Environments and Air Quality (FIREX-AQ) field campaign. Using a custom-developed multiwavelength integrated photoacoustic-nephelometer spectrometer in conjunction with a suite of instruments, including an oxidation flow reactor equipped to generate hydroxyl (OH⚫) or nitrate (NO3⚫) radicals to mimic daytime or nighttime oxidative aging processes, we investigated the effects of multiple equivalent hours of OH⚫ or NO3⚫ exposure on the chemical composition and mass absorption cross-sections (MAC(λ)) at 488 and 561 nm of OA emitted from wildfires in Arizona and Oregon. We found that OH⚫ exposure induced a slight initial increase in absorption corresponding to short timescales; however, at longer timescales, the wavelength-dependent MAC(λ) decreased by a factor of 0.72 ± 0.08, consistent with previous laboratory studies and reports of photobleaching. On the other hand, NO3⚫ exposure increased MAC(λ) by a factor of up to 1.69 ± 0.38. We also noted some sensitivity of aerosol aging to different fire conditions between Arizona and Oregon. The MAC(λ) enhancement following NO3⚫ exposure was found to correlate with an enhancement in CHO1N and CHOgt1N ion families measured by an Aerodyne aerosol mass spectrometer.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Validation of CTF Droplet Entrainment and Annular/Mist Closure Models using Riso Steam/Water Experiments

This report summarizes the work done to validate the droplet entrainment and de-entrainment models as well as two-phase closure models in the CTF code by comparison with experimental data obtained at Riso National Laboratory. The Riso data included a series of over 250 steam/water experiments that were performed in both tube and annulus geometries over a range of various pressures and outlet qualities. Experimental conditions were set so that the majority of cases were in the annular/mist ow regime. Measurements included liquid lm ow rate, droplet ow rate, lm thickness, and two-phase pressure drop. CTF was used to model 180 of the tubular geometry cases, matching experimental geometry, outlet pressure, and outlet ow quality to experimental values. CTF results were compared to the experimental data at the outlet of the test section in terms of vapor and entrained liquid ow fractions, pressure drop per unit length, and liquid lm thickness. The entire process of generating CTF input decks, running cases, extracting data, and generating comparison plots was scripted using Python and Matplotlib for a completely automated validation process. All test cases and scripting tools have been committed to the COBRA-TF master repository and selected cases have been added to the continuous testing system to serve as regression tests. The dierences between the CTF- and experimentally-calculated ow fraction values were con- sistent with previous calculations by Wurtz, who applied the same entrainment correlation to the same data. It has been found that CTF's entrainment/de-entrainment predictive capability in the annular/mist ow regime for this particular facility is comparable to the licensed industry code, COBRAG. While lm and droplet predictions are generally good, it has been found that accuracy is diminished at lower ow qualities. This nding is consistent with the noted deciencies in the Wurtz entrainment model employed by CTF. The CTF predicted two-phase pressure drop in the annular/mist ow regime has been found to be highly inaccurate, exhibiting a clear bias with respect to the experimental data. This inaccuracy led to an investigation that revealed deciencies in the implementation of the annular/mist interfacial friction model, which should be investigated further in the future. Looking to published COBRAG results for this same facility reveal it exhibits no bias with regard to experimental pressure drop results. In addition to the problems with pressure drop prediction, the lm thickness was also signicantly under-predicted by CTF compared to both experimental data and Wurtz's analytical calculations. Film thickness is calculated using a simple geometric relationship and lm void fraction in CTF, which is dependent on slip ratio and interfacial friction. It is possible that the issues aecting the pressure drop and lm void prediction are related.

97 MATHEMATICS AND COMPUTING↗