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At least 1,315 records · Page 73
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NASA NTRS2003

Identifying Head-Trunk and Lower Limb Contributions to Gaze Stabilization During Locomotion

The goal of the present study was to determine how the multiple, interdependent full-body sensorimotor subsystems respond to a change in gaze stabilization task constraints during locomotion. Nine subjects performed two gaze stabilization tasks while walking at 6.4 km/hr on a motorized treadmill: 1) focusing on a central point target; 2) reading numeral characters; both presented at 2m in front at the level of their eyes. While subjects performed the tasks we measured: temporal parameters of gait, full body sagittal plane segmental kinematics of the head, trunk, thigh, shank and foot, accelerations along the vertical axis at the head and the shank, and the vertical forces acting on the support surface. We tested the hypothesis that with the increased demands placed on visual acuity during the number recognition task, subjects would modify full-body segmental kinematics in order to reduce perturbations to the head in order to successfully perform the task. We found that while reading numeral characters as - compared to the central point target: 1) compensatory head pitch movement was on average 22% greater despite the fact that the trunk pitch and trunk vertical translation movement control were not significantly changed; 2) coordination patterns between head and trunk as reflected by the peak cross correlation between the head pitch and trunk pitch motion as well as the peak cross correlation between the head pitch and vertical trunk translation motion were not significantly changed; 3) knee joint total movement was on average 11% greater during the period from the heel strike event to the peak knee flexion event in stance phase of the gait cycle; 4) peak acceleration measured at the head was significantly reduced by an average of 13% in four of the six subjects. This was so even when the peak acceleration at the shank and the transmissibility of the shock wave at heel strike (measured by the peak acceleration ratio of the head/shank) remained unchanged. Taken together these results provide further evidence that the full body contributes to gaze stabilization during locomotion, and that its different functional elements can be modified online to contribute to gaze stabilization for different visual task constraints.

Mulavara, Ajitkumar P.↗
NASA NTRS1960

Shock Losses in Transonic Compressor Blade Rows

The rather extensive study of the shock losses in transonic compressors can he summarized by the following remarks: 1. A simple flow model can be used to estimate shock losses at the design point for transonic compressor blade rows and results iii reasonable correlation of loss data. It is indicated that shock losses can constitute a sizable portion of the total losses in it transonic compressor rotor. This includes all blade elements at which sonic or higher relative velocities are obtained. 2. Shock losses can he shown to exist across the blade passage (free-stream loss) and by the method of superposition with the blade profile losses result in an estimated design total loss coefficient. 3. The shock configuration was experimentally determined by the rapid pressure rise between the blades as measured by the use of barium titanate crystals. At the minimum loss operating conditions the shock is very similar to that assumed in the simple How model. 4. Shock losses obtained from a more detailed flow model were compared with the losses obtained by the simple flow model. Measured loss distribution from blade to blade closely approaches the analytical shock loss distribution. The measured distribution shows the effect of a shock boundary layer interaction. 5. The analytical method (from the detailed flow model) of determining the shock location ahead of the blade seems to apply reasonably well over a range of incidence angles. The analytical shock losses do not vary a great deal with blade element incidence angles.

Miller, Genevieve R.↗
NASA NTRS2020

Satellite Monitoring of Global Surface Soil Organic Carbon Dynamics Using the SMAP Level 4 Carbon Product

Soil organic carbon (SOC) is an important metric of soil health and the terrestrial carbon balance. Short‐term climate variations affect SOC through changes in temperature and moisture, which control vegetation growth and soil decomposition. We evaluated a satellite data‐driven carbon model, operating under the NASA Soil Moisture Active‐Passive (SMAP) mission, as a means of monitoring global surface SOC dynamics. The SMAP Level 4 Carbon (L4C) product estimates a daily global carbon budget including surface (0‐ to 5‐cm depth) SOC. We found that the L4C mean latitudinal SOC distribution is generally consistent with alternative assessments from static soil inventory records and dynamic global vegetation models (r ≥ 0.89). Within forest systems, based on inventory data, L4C SOC is most similar in magnitude to litterfall but is correlated with coarse woody debris ( urn:x-wiley:jgrg:media:jgrg21790:jgrg21790-math-0001) and total SOC ( urn:x-wiley:jgrg:media:jgrg21790:jgrg21790-math-0002). L4C SOC is sensitive to seasonal and annual climate variability, with mean residence times that range from 1.5 years in the wet tropics to 17 years in the cold tundra. Incorporating soil moisture retrievals from the SMAP L‐band (1.4 GHz) microwave radiometer within the L4C algorithm provides enhanced soil moisture sensitivity under low‐to‐moderate vegetation cover (<5 kg/sq.m vegetation water content). The L‐band soil moisture had the greatest impact on the L4C carbon budget in semiarid regions, which span almost 60% of the globe and account for substantial variability in the terrestrial carbon sink. The L4C operational product enables prognostic investigations into effects of recent climate trends and anomalies (e.g., droughts and pluvials) on shallow soil carbon dynamics.

K. Arthur Endsley↗
NASA NTRS2024

Launch Complex 39B, SWMU 009, 2023 Performance Monitoring and Air Sparge Expansion Construction Completion Report, Kennedy Space Center, Florida

The 2023 Performance Monitoring and Construction Completion Report (PM-CCR) presents the findings, observations, and results for Air Sparging (AS) operations and expansion activities, as well as sitewide groundwater monitoring for Launch Complex 39B (LC39B), Solid Waste Management Unit (SWMU) 009, at Kennedy Space Center (KSC), Florida. The reporting period for activities covered under this PM-CCR is from January 1, 2023, to December 31, 2023. At LC39B, AS operations began in 2017 in the area west of the launch pad, in the liquid oxygen (LOX) tank area located northwest of the launch pad, and in an area outside of the perimeter fence to protect nearby Outstanding Florida Waters (OFW). The LC39B AS system was installed with 279 AS wells to depths ranging from 23 to 60 feet below land surface (bls), including the sump, correlating to top of screen depths ranging from 20 to 57 feet bls. In December 2022, a total of 22 AS wells were abandoned to support launch pad crane operations, and in November 2023, the system was expanded with five additional AS wells installed to 13 or 17 feet bls near the LOX tank. The remedial objective of the LC39B AS Interim Measure (IM) is to actively decrease concentrations of contaminants of concern (COCs) in groundwater, specifically trichloroethene (TCE), cis-1,2-Dichloroethene (cDCE), and vinyl chloride (VC), to less than their respective Natural Attenuation Default Concentrations (NADCs), so LC39B can transition into a Long-Term Monitoring (LTM) program. This PM-CCR presents the following information for LC39B: • AS system operations and maintenance (O&M) (Year 7 of operation) from January 2023 to December 2023, to include AS trailer relocation in March 2023 and subsequent replacement and re-start in June 2023. • Construction completion details for AS system expansion, which included installation of five new AS wells and one new monitoring well in November 2023. As part of expansion activities, soil samples were also collected for petroleum analysis; no exceedances were identified, and no further investigation for petroleum is warranted. • Performance monitoring results for groundwater sampling events conducted in May/June 2023 (30 wells) and November 2023 (31 wells) in the AS IM area and in the Low Concentration Plume (LCP) areas located north and east of the launch pad for volatile organic compound (VOC) analysis. • Sampling results for one monitoring well, LOX-IW0012S, which is sampled for aluminum on an annual basis (May/June 2023). This well was resampled in November 2023 for both total and dissolved aluminum. Due to a communication error with the laboratory, the May/June 2023 sample was analyzed for total aluminum only. • Groundwater sampling results for per- and polyfluoroalkyl substances (PFAS) collected from seven monitoring wells during the May/June 2023 event to further investigate the Former Sewage Treatment Plant #6 and Percolation Pond area, west of the launch pad. O&M and performance monitoring results show that the AS system at LC39B is operating as designed and meeting performance criteria. Overall runtime was 45 percent (%) during the reporting period (January to December), but the operational runtime was 78% during the timeframe when the system could run (June to December). The most significant downtime contributor was post-launch crane operations following the Artemis launch on November 16, 2022, which lasted until June 2023. During that timeframe, the AS trailer at LC39B was relocated to another KSC remediation site (Wilson Corners) and was subsequently replaced with the AS trailer from the Paint & Oil Locker (POL) remediation site at KSC to resume AS system operations. Performance monitoring results in the AS IM and LCP areas continue to show reduction in COC concentrations over time when compared to baseline levels. In 2023, only one monitoring well (MW0048) detected a COC exceeding its NADC (VC at 740 micrograms per liter [µg/L]), which marks the baseline result for this new well installed during system expansion. Across the rest of the site, VC concentrations have declined or remained stable during the 2023 sampling events. Excluding MW0048, the highest VC result in 2023 was during the May/June sampling event with a concentration of 63 µg/L at MW0032, which is located near MW0048 and the AS expansion area by the LOX tank. TCE was detected in select monitoring wells in the IM area in 2023, but only two locations exceeded the State of Florida Groundwater Cleanup Target Level (GCTL): MW0032 (21 µg/L in May/June 2023 and 9.1 µg/L in November 2023) and MW0036 (5.0 µg/L in November 2023). MW0036 is also located near the LOX tank, on the north side, where the AS system is still operational (Zone Z4). cDCE and trans-1,2-dichloroethene concentrations were less than laboratory method detection limits or their respective GCTLs in all wells sampled in 2023. Near the OFW located northwest of the launch complex, all COC concentrations were less than laboratory method detection limits from monitoring wells (MW0039, MW0040, and LOXTA0002S) sampled in 2023. Aluminum results from LOX-IW0012S, which has been sampled routinely since 2006, detected a total aluminum concentration of 3,900 µg/L during the May/June 2023 sampling event. Results from the November 2023 event detected 5,700 µg/L for total aluminum and 5,500 µg/L for dissolved aluminum. These concentrations slightly decreased from the previous year but remain relatively consistent with historical detections. Aluminum will continue to be sampled on an annual basis at this well as results still exceed the GCTL of 200 µg/L and the Upper Limit of the KSC Background Concentration of 280 µg/L. PFAS results detected nine different PFAS compounds (out of 32 analyzed) from seven wells sampled. Two PFAS compounds, perfluorooctanesulfonic acid (PFOS) and perfluorooctanoic acid (PFOA), currently have FDEP Provisional GCTLs of 70 nanograms per liter (ng/L). All seven samples collected resulted in concentrations less than the FDEP Provisional GCTLs for both PFAS compounds; no exceedances were observed. PFOS and PFOA also have assigned United States Environmental Protection Agency (USEPA) Maximum Contaminant Levels (MCLs) of 4 nanograms per liter (ng/L). None of the PFOS results exceeded the USEPA MCLs. PFOA was detected in two samples above the USEPA MCL at concentrations of 5.8 ng/L (ECS-IW0009I) and 5.5 ng/L (ECS-IW0009S). Three other PFAS compounds, perfluorohexanesulfonic acid (PFHxS), perfluoro-n-nonanoic acid (PFNA), and hexafluoropropylene oxide dimer acid (GenX), currently have USEPA MCLs of 10 ng/L. PFHxS, PFNA, and GenX were not detected at concentrations greater than their respective USEPA MCLs in any of the seven wells. PFAS compounds without FDEP Provisional GCTLs or USEPA MCLs were screened against USEPA RSLs. No other detections exceeded their respective USEPA RSLs. Additional PFAS sampling will be conducted as part of a future PFAS Site Assessment. Based on O&M activities and performance monitoring, the following is recommended for LC39B: • Continue with Year 8 AS system operation within Zone Z4, which includes the AS expansion area. Zone Z3, which has been off since 2018, should remain off as no rebound has been observed. Zones Z1 and Z2, which were turned off at the end of 2022, will remain shut down as monitoring well results have consistently been below GCTLs or have low-level detections with stable or decreasing trends (Meeting Minute 2402-M10, Decision 2402-D30). • Continue with performance monitoring in 2024 with the same monitoring well network as 2023, except with the addition of MW0048 in both semi-annual events. Baseline concentrations for this well were collected during the November 2023 performance monitoring event. Semi-annual sampling should be planned for the May 2024 and November 2024 timeframes (Meeting Minute 2402-M10, Decision 2402-D31). • Continue sampling monitoring well, LOX-IW0012S, for aluminum (total and dissolved) on an annual basis in May 2024. It is also recommended to re-develop this well prior to the next sampling event (Meeting Minute 2402-M10, Decision 2402-D32). The above recommendations for LC39B were presented at the February 2024 KSCRT Meeting, with Team consensus reached on the path forward. The contents of this PM-CCR were also presented at this meeting.

Deborah M Wilson↗
DOE OSTI2014

ROLE OF SCALE FACTOR DURING TENSILE TESTING OF SMALL SPECIMENS

The influence of scale factor (tensile specimen geometry and dimensions) on mechanical test results was investigated for different widely used types of small specimens (SS-1, SS-2, SS-3, and SS-J3) and a set of materials. It was found that the effect of scale factor on the accurate determination of yield stress, ultimate tensile stress, and uniform elongation values was weak; however, clear systematic differences were observed and should be accounted for during interpretation of results. In contrast, total elongation values were strongly sensitive to variations in specimen geometry. Modern experimental methods like digital image correlation allow the impact of scale factor to be reduced. Using these techniques, it was shown that true stress true strain curves describing strain-hardening behavior were very close for different specimen types. The limits of miniaturization are discussed, and an ultra-miniature specimen concept was suggested and evaluated. This type of specimen, as expected, may be suitable for SEM and TEM in situ testing.

Gussev, Maxim N↗
DOE OSTI2017

Heat Transfer Efficiency in Various Prandtl Number Turbulent Flows using DNS approach

Convective heat transfer in turbulent flows utilized in many nuclear reactor designs with various coolants. While the traditional light water reactors (LWR) rely on water coolant, some advanced next-generation designs propose to use gas, molten salt, liquid metal coolants. Due to large presence of LWRs, most of the convective heat transfer correlations are focused on fluids with properties similar to water. However, some of the next-generation reactor designs cannot directly apply those correlations to advanced coolants, such as liquid metal, which has very low Prandtl number. Direct Numerical Simulation (DNS) is one of the promising approaches to study the details of fluid flow and heat transfer using first principles. The advances of high performance computing (HPC) in recent years made it possible to apply DNS to a wide variety of flow conditions. Kim and Moin studied heat transfer in fully developed turbulent channel flow using DNS. Kawamura et al. investigated the turbulent heat transfer in channel flow with low to medium-high Prandtl number fluid (ranging between 0.025 and 5.0). They take Reynolds number effects into consideration as well. However, most of these studies focus on medium and high Prandtl number. Low Prandtl number flow (like liquid metal) DNS studies are very limited. In the presented research the effect of low Prandtl number is studied in the turbulent channel flow. The second-order accurate spatial and time discretization is used for the flow solver in the presented work. The instantaneous velocity and temperature fields are visualized in the simulation. The effect of Prandtl number on the heat transfer is investigated by comparing different turbulent flow cases. In the same hydrodynamic conditions, the heat conduction enhances as the Prandtl number decreases in the low Prandtl number range. The behavior of the thermal boundary layer follows the empirical correlation. As the Prandtl number decreases, the conductive sublayer region becomes wider, where is out of the range of the empirical correlation. In the future work, we plan to estimate the Nusselt number as well to compare the total heat transfer rate with respect to different Prandtl number flow, especially the very low Prandtl number cases.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Experimental Investigation of Vapor Formation in Liquid CO2 Flow Through a Converging-Diverging Nozzle

Carbon dioxide is an attractive working fluid for many cycles, including for pumped thermal energy storage (PTES). A challenge with some proposed sCO2 PTES cycles is the operation of sCO2 machinery outside the typical bounds of experience, with local phase change from the liquid state being particularly unknown. Presently, there is insufficient data in the literature regarding multiphase CO2 to adequately design a multiphase-tolerant turbine, so generation of foundational data is required. This experimental study investigates the flow characteristics of sub-sonic liquid CO2 undergoing expansion and phase change in a converging-diverging nozzle. The nozzle is instrumented to measure static pressure, unsteady pressure, temperature, and density. The static pressure transducers are located at 27 axial locations to accurately characterize the pressure profile in the nozzle. High-accuracy RTDs are located at the entrance and exit of the nozzle, and three dynamic pressure transducers are strategically located to capture any unsteady phenomena. During testing, values of mass flow and nozzle inlet pressure are swept to vary the pressure drop and fluid properties. The measured total pressure drop in the nozzle is compared to a homogenous model and the Lockhart-Martinelli correlation method, with the latter predicting loss quite closely. The resulting data set is valuable for validating multiphase numerical models in a simple geometry before implementation of these models in turbomachinery design.

25 ENERGY STORAGE↗
DOE OSTI2025

Direct Measurement of Galaxy Assembly Bias using DESI DR1 Data

We report the first direct measurement of galaxy assembly bias, a critical systematic in cosmology, from the Dark Energy Spectroscopic Instrument (DESI) Bright Galaxy Survey. We introduce a novel, cosmology-independent method to measure the halo occupation distribution (HOD) by combining a state-of-the-art group catalog with weak gravitational lensing. For groups binned by total luminosity, we determine the galaxy occupation number $N_{\rm gal}$ from group-galaxy cross-correlations, while weak lensing constrains the average halo mass $M_h$. Applying this to a volume-limited sample at $z{\in}[0.05,0.2]$, we measure the dependence of HOD, $N_{\rm gal}(M_h)$, on large-scale overdensity $δ_{g}$. Focusing on the satellite galaxies, we find an assembly bias parameter of $Q_{\rm sat}{=}0.05{\pm}0.14$, a result consistent with zero and in tension with many empirical galaxy formation models. Our method provides a robust approach for characterizing galaxy assembly bias to achieve precision cosmology with DESI and future Stage-V surveys.

Shao, Zhiwei [Shanghai Jiaotong U.; Shanghai Jiao ↗
DOE OSTI2021

Stability of Pt Skin Intermetallic Core Catalysts and Adsorption Properties for the Oxygen Reduction Reaction

Density functional theory calculations were used to determine the stability of metal slabs consisting of a Pt surface monolayer and intermetallic supporting layers made from combinations of six transition metal elements (Pt, Fe, Co, Ni, Cu, and Ag), as a model system for Pt skin intermetallic core nanoparticle catalysts. The stability of the slabs is largely determined by strain at the interface of the Pt skin and the subsurface intermetallic, which was described by a lattice matching parameter (r). The surface charge on the Pt skin was found to be correlated with the average electronegativity (EN) of the intermetallic core, so this average EN was used as a descriptor for how the electronic coupling (or ligand effect) affects adsorption energies. A total of 46 slabs were investigated in terms of their stability, from which 10 stable slabs were selected for further studies of adsorbate binding (OOH*, O*, and OH*) that are intermediates in the oxygen reduction reaction (ORR). The correlation between all three adsorption energies and descriptors r and EN was found. Using a linear fit between our descriptors and the calculated adsorption energies, the overpotential for the ORR was obtained as a function of r and EN, from which a volcano plot was produced. The volcano peak was found at r = 0.96 or at EN = 2.025. Interestingly, neither r nor EN was a sufficient single reactivity descriptor as the data points were well off the general trend in both linear fits; this implies that both the strain effect and the ligand effect influence the adsorption energies, although they are partly correlated. The (r, EN) target peak parameters were used to screen over 241 intermetallic combinations of transition metal elements as active ORR activity. In conclusion, this analysis identified 11 intermetallic compounds which can support a Pt skin to have a high predicted ORR activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Automated identification of OB associations in M31

A new identification of OB associations in M31 has been performed using the Path Linkage Criterion (PLC) technique of Battinelli (1991). We found 174 associations with a very small contamination (less than 5%) by random clumps of stars. The expected total number and average size of OB associations in the region of M 31 covered by our data set (Magnier et al. 1992) are approximately 280 and approximately 90 pc, respectively. M31 associations therefore have sizes similar to those of OB associations observed in nearby galaxies, so that we can consider them to be classical OB associations. This list of OB associations will be used for the study of the spatial distribution of OB associations and their correlation with other objects. Taking into account the fact that we do not cover the entire disk of M31, we extrapolate a total number of association in M31 of approximately 420.

Magnier, Eugene A.↗
DOE OSTI2016

CHEMICAL ABUNDANCES IN NGC 5024 (M53): A MOSTLY FIRST GENERATION GLOBULAR CLUSTER

We present the Fe, Ca, Ti, Ni, Ba, Na, and O abundances for a sample of 53 red giant branch stars in the globular cluster (GC) NGC 5024 (M53). The abundances were measured from high signal-to-noise medium resolution spectra collected with the Hydra multi-object spectrograph on the Wisconsin–Indiana–Yale–NOAO 3.5 m telescope. M53 is of interest because previous studies based on the morphology of the cluster’s horizontal branch suggested that it might be composed primarily of first generation (FG) stars and differ from the majority of other GCs with multiple populations, which have been found to be dominated by the second generation (SG) stars. Our sample has an average [Fe/H] = −2.07 with a standard deviation of 0.07 dex. This value is consistent with previously published results. The alpha-element abundances in our sample are also consistent with the trends seen in Milky Way halo stars at similar metallicities, with enhanced [Ca/Fe] and [Ti/Fe] relative to solar. We find that the Na–O anti-correlation in M53 is not as extended as other GCs with similar masses and metallicities. The ratio of SG to the total number of stars in our sample is approximately 0.27 and the SG generation is more centrally concentrated. These findings further support that M53 might be a mostly FG cluster and could give further insight into how GCs formed the light element abundance patterns we observe in them today.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Anisotropies of the Magnetic Field Fluctuations at Kinetic Scales in the Solar Wind: Cluster Observations

We present the first statistical study of the anisotropy of the magnetic field turbulence in the solar wind between 1 and 200 Hz, i.e., from proton to sub-electron scales. We consider 93 ten-minute intervals of the Cluster/STAFF measurements. We find that the fluctuations δB{sub ⊥}{sup 2} are not gyrotropic at a given frequency f, a property already observed at larger scales (∥/⊥ means parallel/perpendicular to the average magnetic B{sub 0}). This non-gyrotropy gives indications of the angular distribution of the wave vectors k: at f< 10 Hz, we find that k{sub ⊥}≫k{sub ∥}, mainly in the fast wind; at f > 10 Hz, fluctuations with a non-negligible k {sub ∥} are also present. We then consider the anisotropy ratio δB{sub ∥}{sup 2}/δB{sub ⊥}{sup 2}, which is a measure of the magnetic compressibility of the fluctuations. This ratio, always smaller than 1, increases with f. It reaches a value showing that the fluctuations are more or less isotropic at electron scales, for f⩾50 Hz. From 1 to 15–20 Hz, there is a strong correlation between the observed compressibility and the one expected for the kinetic Alfvén waves (KAWs), which only depends on the total plasma β. For f>15--20 Hz, the observed compressibility is larger than expected for KAWs, and it is stronger in the slow wind: this could be an indication of the presence of a slow-ion acoustic mode of fluctuations, which is more compressive and is favored by the larger values of the electron to proton temperature ratio generally observed in the slow wind.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1996

Dynamic Inlet Distortion Prediction with a Combined Computational Fluid Dynamics and Distortion Synthesis Approach

A procedure has been developed for predicting peak dynamic inlet distortion. This procedure combines Computational Fluid Dynamics (CFD) and distortion synthesis analysis to obtain a prediction of peak dynamic distortion intensity and the associated instantaneous total pressure pattern. A prediction of the steady state total pressure pattern at the Aerodynamic Interface Plane is first obtained using an appropriate CFD flow solver. A corresponding inlet turbulence pattern is obtained from the CFD solution via a correlation linking root mean square (RMS) inlet turbulence to a formulation of several CFD parameters representative of flow turbulence intensity. This correlation was derived using flight data obtained from the NASA High Alpha Research Vehicle flight test program and several CFD solutions at conditions matching the flight test data. A distortion synthesis analysis is then performed on the predicted steady state total pressure and RMS turbulence patterns to yield a predicted value of dynamic distortion intensity and the associated instantaneous total pressure pattern.

Norby, W. P.↗
DOE OSTI2014

Average local ionization energy generalized to correlated wavefunctions

The average local ionization energy function introduced by Politzer and co-workers [Can. J. Chem. 68, 1440 (1990)] as a descriptor of chemical reactivity has a limited utility because it is defined only for one-determinantal self-consistent-field methods such as the Hartree–Fock theory and the Kohn–Sham density-functional scheme. We reinterpret the negative of the average local ionization energy as the average total energy of an electron at a given point and, by rewriting this quantity in terms of reduced density matrices, arrive at its natural generalization to correlated wavefunctions. The generalized average local electron energy turns out to be the diagonal part of the coordinate representation of the generalized Fock operator divided by the electron density; it reduces to the original definition in terms of canonical orbitals and their eigenvalues for one-determinantal wavefunctions. The discussion is illustrated with calculations on selected atoms and molecules at various levels of theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Warming Stimulates Iron-Mediated Carbon and Nutrient Cycling in Mineral-Poor Peatlands

We know that iron (Fe) plays a key role in elemental cycling at terrestrial–aquatic interfaces by stabilizing carbon (C), phosphorus (P), and nutrient cations through physicochemical associations and by potentially releasing these elements following the reduction of Fe(III) to Fe(II). However, the ecosystem-scale importance of Fe redox cycling and its responses to climate change remain unclear in precipitation-fed peatlands (bogs), C-rich wetlands with very low mineral content. We tested impacts of Fe redox cycling on C and nutrient release in two bogs in northern Minnesota and in Spruce and Peatland Responses Under Changing Environments (SPRUCE), an ecosystem-scale warming experiment. Concentrations of Fe(III) declined from the peat surface to 50 cm depth (31 to 0.5 µmol g -1 ) and co-occurred with Fe(II) (10 to 30 µmol g -1 ). Chemical reduction of Fe(III) released C and P from variably saturated (0–30 cm) peat (106–1006 µmol C g -1 ; 0.6–5 µmol P g -1 ), and Fe-bound C was similar to previous measurements from upland mineral soils. Concentrations of Fe(II) and dissolved organic carbon (DOC) were strongly (R 2 = 0.56–0.78) and positively correlated in water samples measured at SPRUCE enclosure outlets and ambient near-surface porewater. Concentrations of Fe(II) also correlated positively with P at warmer SPRUCE temperature treatments and increased with experimental warming, but stabilized at the highest temperature treatments as water depth declined. Although bogs have low total mineral content, mass balance measurements indicated that atmospheric deposition could in principle sustain significant Fe cycling and hydrologic losses in these ecosystems. Overall, Fe redox cycling significantly impacted C and nutrient dynamics in these mineral-poor bogs, contributing to strong correlations between Fe(II) and DOC in water samples. Increased Fe(III) reduction with warmer temperatures will likely promote peatland C and nutrient release, impacting ecosystem C budgets both directly and indirectly by enhancing decomposition and productivity.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2010

Freezable Radiator Model Correlation and Full Scale Design

Freezable radiators offer an attractive solution to the issue of thermal control system scalability. As thermal environments change, a freezable radiator will effectively scale the total heat rejection it is capable of as a function of the thermal environment and flow rate through the radiator. Scalable thermal control systems are a critical technology for spacecraft that will endure missions with widely varying thermal requirements. These changing requirements are a result of the space craft s surroundings and because of different thermal loads during different mission phases. However, freezing and thawing (recovering) a radiator is a process that has historically proven very difficult to predict through modeling, resulting in highly inaccurate predictions of recovery time. This paper summarizes efforts made to correlate a Thermal Desktop (TM) model with empirical testing data from two test articles. A 50-50 mixture of DowFrost HD and water is used as the working fluid. Efforts to scale this model to a full scale design, as well as efforts to characterize various thermal control fluids at low temperatures are also discussed.

Lillibridge, Sean T.↗
DOE OSTI2017

The Spectroscopy and H-band Imaging of Virgo Cluster Galaxies (SHIVir) Survey: Scaling Relations and the Stellar-to-total Mass Relation

We present parameter distributions and fundamental scaling relations for 190 Virgo cluster galaxies in the SHIVir survey. The distribution of galaxy velocities is bimodal about V {sub circ} ∼ 125 km s{sup −1}, hinting at the existence of dynamically unstable modes in the inner regions of galaxies. An analysis of the Tully-Fisher relation (TFR) of late-type galaxies (LTGs) and the fundamental plane (FP) of early-type galaxies (ETGs) is presented, yielding a compendium of galaxy scaling relations. The slope and zero-point of the Virgo TFR match those of field galaxies, while scatter differences likely reflect distinct evolutionary histories. The velocities minimizing scatter for the TFR and FP are measured at large apertures where the baryonic fraction becomes subdominant. While TFR residuals remain independent of any galaxy parameters, FP residuals (i.e., the FP “tilt”) correlate strongly with the dynamical-to-stellar mass ratio, yielding stringent galaxy formation constraints. We construct a stellar-to-total mass relation (STMR) for ETGs and LTGs and find linear but distinct trends over the range M {sub *} = 10{sup 8–11} M {sub ⊙}. Stellar-to-halo mass relations (SHMRs), which probe the extended dark matter halo, can be scaled down to masses estimated within the optical radius, showing a tight match with the Virgo STMR at low masses; possibly inadequate halo abundance matching prescriptions and broad radial scalings complicate this comparison at all masses. While ETGs appear to be more compact than LTGs of the same stellar mass in projected space, their mass-size relations in physical space are identical. The trends reported here may soon be validated through well-resolved numerical simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

MID-INFRARED ATOMIC FINE-STRUCTURE EMISSION-LINE SPECTRA OF LUMINOUS INFRARED GALAXIES: SPITZER/IRS SPECTRA OF THE GOALS SAMPLE

We present the data and our analysis of mid-infrared atomic fine-structure emission lines detected in Spitzer/Infrared Spectrograph high-resolution spectra of 202 local Luminous Infrared Galaxies (LIRGs) observed as part of the Great Observatories All-sky LIRG Survey (GOALS). We readily detect emission lines of [S IV], [Ne II], [Ne V], [Ne III], [S III]{sub 18.7{sub μm}}, [O IV], [Fe II], [S III]{sub 33.5{sub μm}}, and [Si II]. More than 75% of these galaxies are classified as starburst-dominated sources in the mid-infrared, based on the [Ne V]/[Ne II] line flux ratios and equivalent width of the 6.2 μm polycyclic aromatic hydrocarbon feature. We compare ratios of the emission-line fluxes to those predicted from stellar photo-ionization and shock-ionization models to constrain the physical and chemical properties of the gas in the starburst LIRG nuclei. Comparing the [S IV]/[Ne II] and [Ne III]/[Ne II] line ratios to the Starburst99-Mappings III models with an instantaneous burst history, the emission-line ratios suggest that the nuclear starbursts in our LIRGs have ages of 1-4.5 Myr, metallicities of 1-2 Z{sub ☉}, and ionization parameters of 2-8 × 10{sup 7} cm s{sup –1}. Based on the [S III]{sub 33.5{sub μm}}/[S III]{sub 18.7{sub μm}} ratios, the electron density in LIRG nuclei is typically one to a few hundred cm{sup –3}, with a median electron density of ∼300 cm{sup –3}, for those sources above the low density limit for these lines. We also find that strong shocks are likely present in 10 starburst-dominated sources of our sample. A significant fraction of the GOALS sources (80) have resolved neon emission-line profiles (FWHM ≥600 km s{sup –1}) and five show clear differences in the velocities of the [Ne III] or [Ne V] emission lines, relative to [Ne II], of more than 200 km s{sup –1}. Furthermore, six starburst and five active galactic nucleus dominated LIRGs show a clear trend of increasing line width with ionization potential, suggesting the possibility of a compact energy source and stratified interstellar medium in their nuclei. We confirm a strong correlation between the sum of the [Ne II]{sub 12.8{sub μm}} and [Ne III]{sub 15.5{sub μm}} emission, as well as [S III]{sub 33.5{sub μm}}, with both the infrared luminosity and the 24 μm warm dust emission measured from the spectra, consistent with all three lines tracing ongoing star formation. Finally, we find no correlation between the hardness of the radiation field or the emission-line width and the ratio of the total infrared to 8 μm emission (IR8), a measure of the strength of the starburst and the distance of the LIRGs from the star-forming main sequence. This may be a function of the fact that the infrared luminosity and the mid-infrared fine-structure lines are sensitive to different timescales over the starburst, or that IR8 is more sensitive to the geometry of the region emitting the warm dust than the radiation field producing the H II region emission.

79 ASTRONOMY AND ASTROPHYSICS↗