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All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Composition-Based Density Model for High Level Waste Glasses

In this report, the Savannah River National Laboratory (SRNL) provides a first-principles model capable of predicting the density of high-level waste (HLW) glass based on the glass composition. The model relies on the additivity of the specific volume of bound glass oxides to obtain a quantitative evaluation of the approximate glass density. A database of glass densities and compositions was compiled from various sources including previous Defense Waste Processing Facility (DWPF) variability study glasses, HLW studies from other institutions, and literature references. There are a total of 1104 glass compositions in the database with densities ranging from 2.224 g/cm 3 to 3.997 g/cm 3 . The breadth of the compositional coverage space is reported as well. A predictive method was investigated in which the glass density was calculated as a function of the weighted partial molar volumes of the individual glass oxides and the molar mass of the glass. This method yielded a high correlation between the predicted density and the measured density. In addition, a linear regression of these predictions indicated that the predicted value was equal to the measured within the bounds of analytical uncertainty. The following conclusions were drawn from the results of these analyses: 1. Measured glass density is highly correlated with glass composition (R 2 ≈ 0.95). 2. The correlation between glass density and glass composition can be expressed as either: a. A weighted sum of the individual oxide glass-component densities, or b. A weighted sum of the individual oxide glass-component partial molar volumes. 3. A linear regression of the predicted density via partial molar volume method to the measured density yields a slope of 0.9975 and an intercept of -0.0007 – the uncertainty interval associated with these coefficients contain one and zero, respectively. 4. The fitted coefficients and associated uncertainty intervals of the linear regression of the predicted density via the partial molar volume method to the measured density suggest that the predicted theoretical density is, within analysis uncertainty, equal to the measured density of the glass. It is recommended that glass density measurements included with the variability study for each sludge batch be discontinued. In their place, SRNL will calculate a bounding glass density value for the frit/sludge system using the model. It is also recommended that DWPF implement the density model as part of the fissile loading determination portion of the SME acceptability process. Details for implementation are provided in this report.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

Fuel-rich n-heptane oxidation: A shock tube and laser absorption study

The chemical kinetics of n-heptane (n-C 7 H 16 ) – an important reference compound for real fuels – oxidation are well studied at stoichiometric and lean conditions. However, there is only limited information on the n-heptane chemical kinetics in fuel-rich combustion. In order to verify the accuracy of chemical kinetic models at these conditions, the oxidation of rich n-heptane mixtures has been investigated. Combustion of n-C 7 H16/O2/Ar mixtures at equivalence ratios, φ, of 2.0 and 3.0 behind reflected shock waves has been studied at temperatures ranging from 1066 to 1502 K and at pressures ranging from 1.4 to 6.2 atm. Reaction progress was monitored by recording pressure and absorption time-histories of ethylene (C 2 H 4 ) and n-heptane at a location 2 cm from the endwall of a 14-cm inner diameter shock tube. Ethylene and n-heptane absorption time-histories were measured, respectively, using absorption spectroscopy at 10.532 μm from a tunable CO 2 laser and at around 3.4 μm from a continuous wave distributed feedback interband cascade laser (ICL). The measured absorption time-histories were compared with modeled predictions from the Lawrence Livermore National Lab (LLNL) detailed n-heptane reaction mechanism. Overall, to the best of our knowledge, current data are the first time-resolved n-heptane and ethylene concentration measurements conducted in a shock tube at these conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Gas Gun Model and Comparison to Experimental Performance of Pipe Guns Operating with Light Propellant Gases and Large Cryogenic Pellets

Injection of multiple large (~10 to 30 mm diameter) shattered pellets into ITER plasmas is presently part of the scheme planned to mitigate the deleterious effects of disruptions on the vessel components. To help in the design and optimize performance of the pellet injectors for this application, a model referred to as “the gas gun simulator” has been developed and benchmarked against experimental data. The computer code simulator is a Java program that models the gas-dynamics characteristics of a single-stage gas gun. Following a stepwise approach, the code utilizes a variety of input parameters to incrementally simulate and analyze the dynamics of the gun as the projectile is launched down the barrel. Using input data, the model can calculate gun performance based on physical characteristics, such as propellant-gas and fast-valve properties, barrel geometry, and pellet mass. Although the model is fundamentally generic, the present version is configured to accommodate cryogenic pellets composed of H2, D2, Ne, Ar, and mixtures of them and light propellant gases (H2, D2, and He). The pellets are solidified in situ in pipe guns that consist of stainless steel tubes and fast-acting valves that provide the propellant gas for pellet acceleration (to speeds ~200 to 700 m/s). The pellet speed is the key parameter in determining the response time of a shattered pellet system to a plasma disruption event. The calculated speeds from the code simulations of experiments were typically in excellent agreement with the measured values. With the gas gun simulator validated for many test shots and over a wide range of physical and operating parameters, it is a valuable tool for optimization of the injector design, including the fast valve design (orifice size and volume) for any operating pressure (~40 bar expected for the ITER application) and barrel length for any pellet size (mass, diameter, and length). Key design parameters and proposed values for the pellet injectors for the ITER disruption mitigation systems are discussed.

Combs, Stephen Kirk↗
DOE OSTI2014

A measurement of the cosmic microwave background B-mode polarization power spectrum at sub-degree scales with POLARBEAR

We report a measurement of the B-mode polarization power spectrum in the cosmic microwave background (CMB) using the POLARBEAR experiment in Chile. The faint B-mode polarization signature carries information about the universe's entire history of gravitational structure formation, and the cosmic inflation that may have occurred in the very early universe. Our measurement covers the angular multipole range 500 < ℓ < 2100 and is based on observations of an effective sky area of 25 deg{sup 2} with 3.'5 resolution at 150 GHz. On these angular scales, gravitational lensing of the CMB by intervening structure in the universe is expected to be the dominant source of B-mode polarization. Including both systematic and statistical uncertainties, the hypothesis of no B-mode polarization power from gravitational lensing is rejected at 97.2% confidence. The band powers are consistent with the standard cosmological model. Fitting a single lensing amplitude parameter A{sub BB} to the measured band powers, A{sub BB}=1.12±0.61(stat){sub −0.12}{sup +0.04}(sys)±0.07(multi), where A{sub BB} = 1 is the fiducial WMAP-9 ΛCDM value. In this expression, 'stat' refers to the statistical uncertainty, 'sys' to the systematic uncertainty associated with possible biases from the instrument and astrophysical foregrounds, and 'multi' to the calibration uncertainties that have a multiplicative effect on the measured amplitude A{sub BB}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Performance of a CO 2 sorbent for indoor air cleaning applications: Effects of environmental conditions, sorbent aging, and adsorption of co-occurring formaldehyde

Indoor air cleaning systems that incorporate CO 2 sorbent materials enable HVAC load shifting and efficiency improvements. This study developed a bench-scale experimental system to evaluate the performance of a sorbent under controlled operation conditions. A thermostatic holder containing 3.15 g sorbent was connected to a manifold that delivered CO 2 -enriched air at a known temperature and relative humidity (RH). The air stream was also enriched with 0.8-2.1 ppm formaldehyde. The CO 2 concentration was monitored in real-time upstream and downstream of the sorbent, and integrated formaldehyde samples were collected at different times using DNPH-coated silica cartridges. Sorbent regeneration was carried out by circulating clean air in countercurrent. Almost 200 loading/regeneration cycles were performed in the span of 17 months, from which 104 were carried out at reference test conditions defined by loading with air at 25°C, 38% RH, and 1000 ppm CO 2 , and regenerating with air at 80°C, 3% RH and 400 ppm CO 2 . The working capacity decreased slightly from 43-44 mg CO 2 per g sorbent to 39-40 mg per g over the 17 months. The capacity increased with lower loading temperature (in the range 15-35°C) and higher regeneration temperature, between 40 and 80°C. The CO 2 capacity was not sensitive to the moisture content in the range 6-9 g/m 3 , and decreased slightly when dry air was used. Loading isothermal breakthrough curves were fitted to three simple adsorption models, verifying that pseudo-first-order kinetics appropriately describes the adsorption process. The model predicted that equilibrium capacities decreased with increasing temperature from 15 to 35°C, while adsorption rate constants slightly increased. The formaldehyde adsorption efficiency was 80%-99% in different cycles, corresponding to an average capacity of 86 ± 36 µg/g. Formaldehyde was not quantitatively released during regeneration, but its accumulation on the sorbent did not affect CO 2 adsorption.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

SU-F-T-38: How Much Dose Is Given in MR Guided Cervical Cancer Brachytherapy with the Ring and Tandem Applicators?

Purpose: To evaluate the dosimetric metrics of HDR Ring and Tandem applicator Brachytherapy for primary cervical cancers. Methods: The dosimetric metrics of high-risk clinical target volumes (HDR-CTV) of 12 patients (in total 60 fractions/plans) treated with the HDR ring and tandem applicators were retrospectively analyzed. Ring diameter is from 2.6 to 3.4 cm, tandem length is from 4 to 6 cm, and the angle is either 45 or 60 degrees. The first fraction plan was MR guided, the MR images were then used as a reference for contouring the HR-CTV in CT images of following 4 fractions. The nominal prescription dose was between 5.2 and 5.8 Gy at the point A. The plans were adjusted to cover at least 90% of the HR-CTV by 90% of the prescription dose and to reduce the doses to the bladder, rectum and bowel-bag. Minimum target dose of D100 and D90 were converted into the biologically equivalent EBRT dose D90-iso and D100-iso (using α/β=10 Gy, 2 Gy/fx). Equivalent uniform doses (EUD) based on the average cancer killing across the target volume were calculated by the modified linear quadratic model (MLQ) from the differential dose volume histogram (DVH) tables. Results: The average D90iso of all plans is 8.1 Gy (ranging from 6.2 to 15 Gy, median 7.8 Gy); the average D100iso is just 4.1 Gy (ranging from 1.8 to 7.8 Gy; median 3.9 Gy). The average EUD is 7.0 Gy (ranging from 6.1 to 9.6 Gy, median 6.9 Gy), which is 87% of the D90iso, and 170% of the D100iso. Conclusion: The EUDs is smaller than D90iso but greater than D100iso. Because the EUD takes into account the intensive cancer cell killing in the high dose zone of HR-CTV, MLQ calculated EUD apparently is more relevant than D90 and D100 to describe the HDR brachytherapy treatment quality.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Structural Models and Sequence Alignment Results of the Rhodospirillum rubrum Proteome

This dataset contains the structural models for the primary transcripts of the Rhodospirillum rubrum proteome as well as sequence alignment results for a subset of the encoded proteins. For each protein, the five models inferred from AlphaFold 2 are provided. The largest pTM-scoring model for each protein was energy minimized; this minimized structure as well as its AlphaFold pickle output file are also provided. This set of structures represent an alternate source of models for the R. rubrum proteome to those available in the AlphaFold Protein Structure Database. For proteins that have been annotated as hypothetical, sequence alignment results from the HHblits and SAdLSA alignment methods are provided. These methods are often more capable to resolve sequence homology than other methods. Therefore, the results from both HHblits and SAdLSA are provided to identify possible homologs for these challenging proteins. Numerous sequence databases are utilized for these alignments. References AlphaFold v2 Multimer: https://doi.org/10.1101/2021.10.04.463034. References HHBlits: https://doi.org/10.1186/s12859-019-3019-7. References SAdLSA: https://doi.org/10.3389/fbinf.2021.689960.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1994

Nimbus-7 Earth radiation budget calibration history. Part 2: The Earth flux channels

Nine years (November 1978 to October 1987) of Nimbus-7 Earth radiation budget (ERB) products have shown that the global annual mean emitted longwave, absorbed shortwave, and net radiation were constant to within about + 0.5 W/sq m. Further, most of the small annual variations in the emitted longwave have been shown to be real. To obtain this measurement accuracy, the wide-field-of-view (WFOV) Earth-viewing channels 12 (0.2 to over 50 micrometers), 13 (0.2 to 3.8 micrometers), and 14 (0.7 to 2.8 micrometers) have been characterized in their satellite environment to account for signal variations not considered in the prelaunch calibration equations. Calibration adjustments have been derived for (1) extraterrestrial radiation incident on the detectors, (2) long-term degradation of the sensors, and (3) thermal perturbations within the ERB instrument. The first item is important in all the channels; the second, mainly in channels 13 and 14, and the third, only in channels 13 and 14. The Sun is used as a stable calibration source to monitor the long-term degradation of the various channels. Channel 12, which is reasonably stable to both thermal perturbations and sensor degradation, is used as a reference and calibration transfer agent for the drifting sensitivities of the filtered channels 13 and 14. Redundant calibration procedures were utilized. Laboratory studies complemented analyses of the satellite data. Two nearly independent models were derived to account for the thermal perturbations in channels 13 and 14. The global annual mean terrestrial shortwave and longwave signals proved stable enough to act as secondary calibration sources. Instantaneous measurements may still, at times, be in error by as much as a few Wm(exp -2), but the long-term averages are stable to within a fraction of a Wm(exp -2).

Kyle, H. Lee↗
NASA NTRS2006

Evolving EO-1 Sensor Web Testbed Capabilities in Pursuit of GEOSS

A viewgraph presentation to evolve sensor web capabilities in pursuit of capabilities to support Global Earth Observing System of Systems (GEOSS) is shown. The topics include: 1) Vision to Enable Sensor Webs with "Hot Spots"; 2) Vision Extended for Communication/Control Architecture for Missions to Mars; 3) Key Capabilities Implemented to Enable EO-1 Sensor Webs; 4) One of Three Experiments Conducted by UMBC Undergraduate Class 12-14-05 (1 - 3); 5) Closer Look at our Mini-Rovers and Simulated Mars Landscae at GSFC; 6) Beginning to Implement Experiments with Standards-Vision for Integrated Sensor Web Environment; 7) Goddard Mission Services Evolution Center (GMSEC); 8) GMSEC Component Catalog; 9) Core Flight System (CFS) and Extension for GMSEC for Flight SW; 10) Sensor Modeling Language; 11) Seamless Ground to Space Integrated Message Bus Demonstration (completed December 2005); 12) Other Experiments in Queue; 13) Acknowledgements; and 14) References.

Mandi, Dan↗
NASA NTRS2019

Easing into Reality: Experimental Impacts into Slopes and Layers

Impact cratering is the dominant geo-logic process affecting the surfaces of solid bodies throughout our solar system. Because large impacts are (luckily) rare on Earth, the process is studied through experiments, observations of existing structures, numerical modeling, and theory, most of which make the simplifying assumptions that the target is homogeneous, with no substantial topography. Craters do not always form on level targets com-posed of homogeneous loose material. Rather (Fig. 1), they often form on sloped surfaces and in layered tar-gets, both of which significantly influence the excavation and ejecta deposition processes. Such craters are common on the Moon and asteroids. We are investigating crater formation in two separate suites of experiments using sloped and layered targets (Fig. 2) at the Experimental Impact Laboratory at NASA Johnson Space Center. An experiment was also performed in a flat, homogenous target to serve as a reference.

Ebel, J. M.↗
NASA NTRS2020

Feeding Ten Billion People Is Possible Within Four Terrestrial Planetary Boundaries

Global agriculture puts heavy pressure on planetary boundaries, posing the challenge to achieve future food security without compromising Earth system resilience. On the basis of process-detailed, spatially explicit representation of four interlinked planetary boundaries (biosphere integrity, land-system change, freshwater use, nitrogen flows) and agricultural systems in an internally consistent model framework, we here show that almost half of current global food production depends on planetary boundary transgressions. Hotspot regions, mainly in Asia, even face simultaneous transgression of multiple underlying local boundaries. If these boundaries were strictly respected, the present food system could provide a balanced diet (2,355 kcal per capita per day) for 3.4 billion people only. However, as we also demonstrate, transformation towards more sustainable production and consumption patterns could support 10.2 billion people within the planetary boundaries analysed. Key prerequisites are spatially redistributed cropland, improved water–nutrient management, food waste reduction and dietary changes. Adoption of the Sustainable Development Goals by all nations in 2015 is the first ever commitment to a world development path that safeguards the stability of the Earth system as a prerequisite for meeting universal human standards1. The longstanding challenge of achieving food security through sustainable agriculture is particularly acute in this context as world agriculture is a leading cause for the current transgressions of multiple planetary boundaries (PBs) globally and regionally2–5. The PB framework is a comprehensive scientific attempt to synoptically define our planet’s biogeophysical limits to anthropogenic interference. It suggests bounds to nine interacting processes that together delineate a Holocene-like Earth system state. The Holocene is chosen as the reference state as it is the only period known to provide a safe operating space for a world population of several billion people, and according to a precautionary principle, the PBs are set in sufficient distance from processes that may critically undermine Earth system resilience and global sustainability. A challenging question, thus, is whether human development goals such as food security can be met while maintaining multiple PBs along with their subglobal manifestations. Further PB transgressions could jeopardize the chances of providing sufficient food for a world population projected to be wealthier and reach >9 billion by 2050. This conundrum portrays a tradeoff between Earth’s biophysical carrying capacity and humankind’s rising food demand, calling in response for radical rethinking of food production and consumption patterns6–9. Yield gap closures, avoidance of excessive input use, shifts towards less resource-demanding diets, food waste reductions and efficient international trade are crucial options for sustainably increasing the food supply10–15. For example, enhancing water-use efficiency on irrigated and rain-fed farms can triple or quadruple crop yields in low-performing systems, suggesting possible global gains of >20% (ref. 16). Even higher gains appear feasible through globally optimized configurations of the land-use pattern17, and cutting food losses by half could generate food for another billion people18. Thus, collective large-scale implementation of such options could sustain food for a further growing world population19. Yet achieving this within a safe operating space as defined by PBs requires not only a halt to but actually a reversal of existing PB transgressions. Previous studies suggest that such a reconciliation might be possible, but these were based on aggregate representations of PBs (not accounting for the spatial patterns of limits, transgressions and interactions) or considered only one boundary in isolation17,20–23. Here, we systematically quantify to what extent current food production depends on local to global transgressions of the PBs for biosphere integrity, land-system change, freshwater use and nitrogen (N) flows, along with the potential of a range of solutions to avoid these transgressions and still increase food supply (Table 1). To this end, we configured an internally consistent process-based model of the terrestrial biosphere including agriculture (LPJmL) with multiple spatially distributed PBs and their interactions. LPJmL is among the longest-established and best-evaluated biosphere models, showing robust performance regarding simulation of, for example, carbon, water and crop yield dynamics (Supplementary Figs. 1 and 2 and Supplementary Table 1; see ref. 24 for a comprehensive benchmarking and Supplementary Methods for more detail on model evaluations). In principle following established definitions4, we refine the computation of some PBs with respect to their regional patterns and interactions (Methods), providing globally gridded precautionary limits to human interference with the Earth system at a level of great detail. In particular, we account for the evidence that many PBs need to be represented spatially explicitly4 to cover their

Gerten, Dieter↗
DOE OSTI2026

IM3 Projected US Data Center Locations

IM3 Projected US Data Center Locations This dataset contains model projections of new data center facilities in the contiguous United States (CONUS) through 2035 using the CERF – Data Centers model. Data center locations are modeled across four data center electricity demand growth scenarios (low, moderate, high, higher) and five market gravity scenarios (0%, 25%, 50%, 75%, 100%). Projected locations are intended to be regional representations of feasible siting locations in the future to assess potential grid and water stress impacts. The data center load growth scenarios correspond with the rates outlined in EPRI (2024) and include 3.71%, 5%, 10%, and 15% annual growth of electricity demand for data centers from 2023 values in 37 states across the CONUS. Market gravity scenarios correspond to the relative importance of proximity to data center markets or high population areas compared to locational cost in the siting algorithm. 0% market gravity means that siting decisions were entirely determined by the locational cost in each feasible location. 100% market gravity means that only market proximity was considered when siting. Other scenarios have weight placed on both components where total weight always equals 100%. Locational cost is dependent on facility cooling type and corresponding electricity cost, taxes, and other factors. Facility cooling type is spatially determined where high water stress and/or areas with high summer wet bulb temperatures are assumed to operate with mechanical cooling for a higher fraction of the year rather than evaporative cooling. Feasible data center siting areas are based on geospatial suitability raster data developed with open-source information. The following areas are excluded from siting: Areas within 300 m of a federal airport runway or within an airport area boundary Waterbodies Areas with slope >16% Areas susceptible to sinkholes High coastal or inland flood risk areas Local, state, and federal parks, leisure areas, and cemeteries Areas >2 km away from electric substations Areas >5 km away from a municipal water supplier service area Areas >2 km away from high-speed fiber provider service territory USGS Protected Areas Database of the United States (PAD-US) GAP status 1, 2, or 3 areas US National Parks Wetlands USFWS critical habitats BIA land areas Railroads, major roadways, and minor roadways Military areas and training grounds NLCD developed lands Areas >0.8 km (0.5 miles) from NLCD developed lands Because we use open-source information, proprietary information that can influence siting decisions such as individual tax agreements with cities, detailed fiber line connectivity, electric grid power capacity agreements, and others, are not currently accounted for in the modeling process. Using specific building locations and footprints in the dataset for local planning purposes is not advised. Technical Information Geospatial data is provided in geojson format using the Albers Equal Area Conic (ESRI:102003) coordinate reference system. The datasets contain the following parameters: id - unique identification number within given scenario file growth_scenario – data center demand growth scenario market_gravity_weight – market gravity weight scenario (%) region – name of region (i.e., US State) total_cost_million_usd – locational siting cost ($million) campus_size_square_ft – total land acquired for data center facility (square ft) data_center_it_power_mw – IT power of data center facility (MW) mechanical_cooling_frac – fraction of year when data center uses mechanical cooling system water_cooling_frac– fraction of year when data center uses evaporative cooling system cooling_energy_demand_mwh – total annual facility energy demand for cooling (MWh) cooling_water_demand_mgy – total annual facility water demand for cooling (MG) cooling_water_consumption_mgy – total annual facility water consumed (MG) normalized_locational_cost – normalized total locational cost score for location normalized_gravity_score – normalized market gravity score for location weighted_siting_score – total weighted siting score of locational cost and gravity score geometry – polygon geometry of facility Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. License This data is made available under a CCBY4.0 License Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Mongird, Kendall (ORCID:0000000328077088)↗
NASA NTRS1994

Development of New Open-Shell Perturbation and Coupled-Cluster Theories Based on Symmetric Spin Orbitals

A new spin orbital basis is employed in the development of efficient open-shell coupled-cluster and perturbation theories that are based on a restricted Hartree-Fock (RHF) reference function. The spin orbital basis differs from the standard one in the spin functions that are associated with the singly occupied spatial orbital. The occupied orbital (in the spin orbital basis) is assigned the delta(+) = 1/square root of 2(alpha+Beta) spin function while the unoccupied orbital is assigned the delta(-) = 1/square root of 2(alpha-Beta) spin function. The doubly occupied and unoccupied orbitals (in the reference function) are assigned the standard alpha and Beta spin functions. The coupled-cluster and perturbation theory wave functions based on this set of "symmetric spin orbitals" exhibit much more symmetry than those based on the standard spin orbital basis. This, together with interacting space arguments, leads to a dramatic reduction in the computational cost for both coupled-cluster and perturbation theory. Additionally, perturbation theory based on "symmetric spin orbitals" obeys Brillouin's theorem provided that spin and spatial excitations are both considered. Other properties of the coupled-cluster and perturbation theory wave functions and models will be discussed.

Lee, Timothy J.↗
NASA NTRS2018

Earthshine as an Illumination Source at the Moon

Earthshine is the dominant source of natural illumination on the surface of the Moon during lunar night, and at some locations within permanently shadowed regions (PSRs) near the poles that never receive direct sunlight. As such, earthshine has the potential to enable the scientific investigation and exploration of conditions in areas of the Moon that are either temporarily or permanently hidden from the Sun. Earthshine has also been used to refer to Earthlight reflected from the lunar surface, but in this study we use it to refer specifically to Earthlight incident at the Moon. Under certain circumstances, the heat flux from earthshine could also influence the transport and cold-trapping of volatiles present in the very coldest areas within PSRs. In this study, Earth's spectral irradiance, as it would appear at the Moon in the solar reflectance band (0.3–3.0 µm) and at thermal emission wavelengths (3–50 µm), is examined with a suite of model image cubes and whole-disk spectra created using the Virtual Planetary Laboratory (VPL) three-dimensional (latitude, longitude and altitude) modeling capability. At the Moon, the broadband, hemispherical irradiance from Earth at full-phase is approximately 0.15 W m−2 with comparable contributions from solar reflectance and thermal emission; for context, this about 0.01% that of solar irradiance and has an equivalent temperature of around 40 K. Over the simulated timeframe, spanning two lunations, Earth's thermal irradiance shows very little net change (less than a few mW m−2 resulting from cloud variability and the south-to-north motion of the sub-observer latitude on Earth). In the solar band, Earth's diurnally averaged light curve at phase angles g ≤ 60° is well-fit using a Henyey–Greenstein integral phase function. At wavelengths longward of about 0.7 µm, near the well-known vegetation “red edge”, Earth's reflected solar radiance shows significant diurnal modulation as a result of the broad maximum in projected landmass at terrestrial longitudes between 60°W and 0°, as well as from the distribution of clouds. A simple formulation with adjustable coefficients is presented, condensed from the VPL model grid, for estimating Earth's hemispherical irradiance at the Moon as a function of wavelength, phase angle and sub-observer coordinates (terrestrial latitude and longitude). Uncertainties in any one prediction are estimated to be 10–12% at 0.3 µm, rising to >25% near 2.5 µm as a result of the increasing relative brightness and unpredictable influence of clouds. Although coefficient values are derived from a suite of spring equinox models, the approximation appears to be valid for all seasons, to within the stated uncertainties. It is demonstrated that earthshine is sufficiently bright to serve as a natural illumination source for optical measurements on a robotic lander/rover, allowing the identification of water ice mixed with regolith at the percent-level of fractional area.

Surface↗
DOE OSTI2017

Evaluations of high-resolution dynamically downscaled ensembles over the contiguous United States

This study uses Weather Research and Forecast (WRF) model to evaluate the performance of six dynamical downscaled decadal historical simulations with 12-km resolution for a large domain (7200 x 6180 km) that covers most of North America. The initial and boundary conditions are from three global climate models (GCMs) and one reanalysis data. The GCMs employed in this study are the Geophysical Fluid Dynamics Laboratory Earth System Model with Generalized Ocean Layer Dynamics component, Community Climate System Model, version 4, and the Hadley Centre Global Environment Model, version 2-Earth System. The reanalysis data is from the National Centers for Environmental Prediction-US. Department of Energy Reanalysis II. We analyze the effects of bias correcting, the lateral boundary conditions and the effects of spectral nudging. We evaluate the model performance for seven surface variables and four upper atmospheric variables based on their climatology and extremes for seven subregions across the United States. The results indicate that the simulation’s performance depends on both location and the features/variable being tested. We find that the use of bias correction and/or nudging is beneficial in many situations, but employing these when running the RCM is not always an improvement when compared to the reference data. The use of an ensemble mean and median leads to a better performance in measuring the climatology, while it is significantly biased for the extremes, showing much larger differences than individual GCM driven model simulations from the reference data. This study provides a comprehensive evaluation of these historical model runs in order to make informed decisions when making future projections.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Magnification, dust and time-delay constraints from the first resolved strongly lensed Type Ia supernova iPTF16geu

We report lensing magnifications, extinction, and time-delay estimates for the first resolved, multiply-imaged Type Ia supernova iPTF16geu, at z = 0.409, using Hubble Space Telescope (HST) observations in combination with supporting ground-based data. Multi-band photometry of the resolved images provides unique information about the differential dimming due to dust in the lensing galaxy. Using HST and Keck AO reference images taken after the SN faded, we obtain a total lensing magnification for iPTF16geu of $\mu = 67.8^{+2.6}_{-2.9}$, accounting for extinction in the host and lensing galaxy. As expected from the symmetry of the system, we measure very short time-delays for the three fainter images with respect to the brightest one: -0.23 ± 0.99, -1.43 ± 0.74 and 1.36 ± 1.07 days. Interestingly, we find large differences between the magnifications of the four supernova images, even after accounting for uncertainties in the extinction corrections: $\Delta m_1 = -3.88^{+0.07}_{-0.06}$, $\Delta m_2 = -2.99^{+0.09}_{-0.08}$, $\Delta m_3 = -2.19^{+0.14}_{-0.15}$ and $\Delta m_4 = -2.40^{+0.14}_{-0.12}$ mag, discrepant with model predictions suggesting similar image brightnesses. A possible explanation for the large differences is gravitational lensing by substructures, micro- or millilensing, in addition to the large scale lens causing the image separations. We find that the inferred magnification is insensitive to the assumptions about the dust properties in the host and lens galaxy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

High-precision mass measurements of the isomeric and ground states of 44 V: Improving constraints on the isobaric multiplet mass equation parameters of the A=44, 0 + quintet

Background: The quadratic isobaric multiplet mass equation (IMME) has been very successful at predicting the masses of isobaric analog states in the same multiplet, while its coefficients are known to follow specific trends as functions of mass number. The Atomic Mass Evaluation 2016 [Chin. Phys. C 41, 030003 (2017)] 44 V mass value results in an anomalous negative c coefficient for the IMME quadratic term; a consequence of large uncertainty and an unresolved isomeric state. The b and c coefficients can provide useful constraints for construction of the isospin-nonconserving Hamiltonians for the pf shell. In addition, the excitation energy of the 0 + , T = 2 level in 44 V is currently unknown. This state can be used to constrain the mass of the more exotic 44 Cr. Purpose: The aim of the experimental campaign was to perform high-precision mass measurements to resolve the difference between 44 V isomeric and ground states, to test the IMME using the new ground state mass value and to provide necessary ingredients for the future identification of the 0 + , T = 2 state in 44 V. Method: High-precision Penning trap mass spectrometry was performed at LEBIT, located at the National Superconducting Cyclotron Laboratory, to measure the cyclotron frequency ratios of [ 44g,m VO] + versus [ 32 SCO] + , a well-known reference mass, to extract both the isomeric and ground state masses of 44 V. Results: The mass excess of the ground and isomeric states in 44 V were measured to be -23 804.9(80) keV/c 2 and -23 537.0(55) keV/c 2 , respectively. This yielded a new proton separation energy of S p = 1 773(10) keV. Conclusion: The new values of the ground state and isomeric state masses of 44 V have been used to deduce the IMME b and c coefficients of the lowest 2 + and 6 + triplets in A = 44. The 2 + c coefficient is now verified with the IMME trend for lowest multiplets and is in good agreement with the shell-model predictions using charge-dependent Hamiltonians. The mirror energy differences were determined between 44 V and 44 Sc, in line with isospin-symmetry for this multiplet. Finally, the new value of the proton separation energy determined, to an uncertainty of 10 keV, will be important for the determination of the 0 + , T = 2 state in 44 V and, consequently, for prediction of the mass excess of 44 Cr.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Updated Reference VTR Core for CD-1

A preliminary reference core design was previously developed for the Versatile Test Reactor. The main features are that it is a 300 MW th sodium-cooled fast reactor using ternary metallic fuel U-20Pu-10Zr and able to achieve peak fast fluxes (E n > 0.1 MeV) in excess of 4.0x10 15 n/cm 2 -s. The plutonium in the fuel was assumed to be “reactor grade”, with a fissile quality of about 72% (i.e., 239 Pu and 241 Pu comprise 72% of the plutonium isotopes), and the uranium was assumed to be low-enriched uranium with 5% 235 U. This preliminary core design has been used through the CD-0 phase of the VTR project. Progression of the work after CD-0 led to revising, updating and refining the reference VTR core design, based on considerations from the various VTR teams: fuel, experiment, safety, and plant design teams. The objective of this report is to summarize the various changes made and details added to the model, to provide a description of the updated reference VTR core design and of its performance characteristics. This includes the traditional reactor physics characteristics, fuel cycle details, reactivity coefficients, temperature distributions, control rod worths and shutdown requirements. All of these define the updated “reference VTR core” intended to be used through CD-1.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗