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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

HipBone: A performance-portable graphics processing unit-accelerated C++ version of the NekBone benchmark

We present hipBone, an open-source performance-portable proxy application for the Nek5000 (and NekRS) computational fluid dynamics applications. HipBone is a fully GPU-accelerated C++ implementation of the original NekBone CPU proxy application with several novel algorithmic and implementation improvements which optimize its performance on modern fine-grain parallel GPU accelerators. Our optimizations include a conversion to store the degrees of freedom of the problem in assembled form in order to reduce the amount of data moved during the main iteration and a portable implementation of the main Poisson operator kernel. We demonstrate near-roofline performance of the operator kernel on three different modern GPU accelerators from two different vendors. We present a novel algorithm for splitting the application of the Poisson operator on GPUs which aggressively hides MPI communication required for both halo exchange and assembly. Our implementation of nearest-neighbor MPI communication then leverages several different routing algorithms and GPU-Direct RDMA capabilities, when available, which improves scalability of the benchmark. We demonstrate the performance of hipBone on three different clusters housed at Oak Ridge National Laboratory, namely, the Summit supercomputer and the Frontier early-access clusters, Spock and Crusher. Our tests demonstrate both portability across different clusters and very good scaling efficiency, especially on large problems.

Computer Science↗
DOE OSTI2023

Role of Simple Spatial Gradient in Reinforcing the Accuracy of Temperature Determination of HED Plasma via Spectral Line-Area Ratios

We report on the simulation of temperature gradients in tamped NaFMgO target-foil plasma, heated and backlit by z-pinch dynamic hohlraum radiation. Our approach compares the spectroscopic output of a collisional-radiative model (prismspect) with soft X-ray absorption spectra collected on Sandia National Laboratories’ (SNL) Z Pulsed Power Facility. The pattern of minimum χ2 is seen to agree with an efficient, three-parameter model. Results show that a negligible gradient in electron temperature Te is consistent with experimental data, justifying the assumptions of previous work. The predicted sensitivity of line spectra to the gradient-aligned profile of Te is documented for each spectral feature, so that the line-area ratio between a pair of spectral features may be assessed as a proxy for the existence and quantification of such gradients.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

HarDWR - Raw Water Rights Records

For a detailed description of the database of which this record is only one part, please see the HarDWR meta-record. In order to hold a water right in the western United States, an entity, (e.g., an individual, corporation, municipality, sovereign government, or non-profit) must register a physical document with the state's water regulatory agency. State water agencies each maintain their own database containing all registered water right documents within the state, along with relevant metadata such as the point of diversion and place of use of the water. All western U.S. states have digitized their individual water rights databases, along with the geospatial data describing the spatial units where water rights are managed. Each state maintains and provides their own water rights data in accordance with individual state regulations and standards. We collected water rights databases from 11 western United States states either by downloading them from publicly accessible web portals, or by contacting state water management representatives; detailed descriptions of where and when the data was collected is provided in the README.txt, as well as Lisk et al.(in review). This collection of data are those raw water rights. Each state formats their data differently, meaning that file types, field availability, and names vary from state to state. Note, the data provided here reflects the state of the water rights databases at the time we collected the data; updates have likely occurred in many states. Some pieces of information are common among all states. These are: priority date, volume or flow of water allowed by the right, stated water use of the right, and some means of identifying the geography and source of the water pertaining to the right - typically the coordinates of the Point of Diversion (PoD) of a waterbody or well. Arizona regulates water in a different way than the other 10 states. Outside of some relatively small critical agricultural areas called Active Management Areas (AMAs), Arizona does not maintain any water rights. However, the state does require registration of surface and groundwater pumping devices, which includes disclosing the mechanical specifics of the devices. We used these records as a proxy for water rights. Each state, and their respective water right authorities, have made their water right records available for non-commercial reference uses. In addition, the states make no guarantees as to the completeness, accuracy, or timeliness of their respective databases, let alone the modifications which we, the authors of this paper, have made to the collected records. None of the states should be held liable for using this data outside of its intended use. In addition, the following states have requested specifically worded disclaimers to be included with their data. Colorado: "The data made available here has been modified for use from its original source, which is the State of Colorado. THE STATE OF COLORADO MAKES NO REPRESENTATIONS OR WARRANTY AS TO THE COMPLETENESS, ACCURACY, TIMELINESS, OR CONTENT OF ANY DATA MADE AVAILABLE THROUGH THIS SITE. THE STATE OF COLORADO EXPRESSLY DISCLAIMS ALL WARRANTIES, WHETHER EXPRESS OR IMPLIED, INCLUDING ANY IMPLIED WARRANTIES OF MERCHANTABILITY, OR FITNESS FOR A PARTICULAR PURPOSE. The data is subject to change as modifications and updates are complete. It is understood that the information contained in the Web feed is being used at one's own risk." Montana: "The Montana State Library provides this product/service for informational purposes only. The Library did not produce it for, nor is it suitable for legal, engineering, or surveying purposes. Consumers of this information should review or consult the primary data and information sources to ascertain the viability of the information for their purposes. The Library provides these data in good faith but does not represent or warrant its accuracy, adequacy, or completeness. In no event shall the Library be liable for any incorrect results or analysis; any direct, indirect, special, or consequential damages to any party; or any lost profits arising out of or in connection with the use or the inability to use the data or the services provided. The Library makes these data and services available as a convenience to the public, and for no other purpose. The Library reserves the right to change or revise published data and/or services at any time." Oregon: "This product is for informational purposes and may not have been prepared for, or be suitable for legal, engineering, or surveying purposes. Users of this information should review or consult the primary data and information sources to ascertain the usability of the information." The available data is provided as a series of compressed files, which each containing the full data collected from each state. Some of the files have been renamed, to more easily know which state the data belongs to. The file renaming was also required as some files from different states had the same name. In other cases, the data for a state has been placed in a folder indicating which state it belongs to - as the state organized its data by selected subregions. Below is a brief description of the format of the collected data from each state. ArizonaRights_StatementOfClaimants: A folder containing a database of interconnected CSV files. The soc_erd.pdf file contains a visual flowchart of how the various files are connected, beginning with SOC_MAIN.csv in the center of the page. ArizonaRights_SurfaceWaterRightsData: A folder containing a database of a single Shapefile and 10 associated CSVs. SurfaceWater.pdf contains a visual flowchart of how the various files are connected, beginning with ADWR_SW_APPL_REGRY.csv. ArizonaRights_Well55Registry: A folder containing a database of a single Shapefile and 59 associated CSVs. Wells55.pdf contains a visual flowchart of how the various files are connected, beginning with WellRegistry.shp. CaliforniaRights_eWRIMS_directDatabase: A folder containing a collection of four "series" Microsoft Excel files, as either XLS or XLSX. The four "series": byCounty, byEntity (what type of legal entity holds the right), byUse (stated water use), and byWatershed, are various methods by which the California water rights are organized within the state's database. However, it was observed that by only collecting a single series, not all water rights were being provided. So, essentially, the majority of records within each "series" are copies of each other, with each "series" containing some unique records. ColoradoRights_NetAmounts: A folder containing 78 CSV files, with one file per Colorado Water District. IdahoRights_PointOfDiversion: A Shapefile containing the Points of Diversion for the entire state of Idaho. IdahoRights_PlaceOfUse: A Shapefile containing the Place of Use polygons for the entire state of Idaho. MontanaRights_WaterRights: A Geodatabase file containing the Points of Diversion and Places of Use for the entire state of Montana. The name of the Points of Diversion Feature Layer within the Geodatabase is "WRDIV", and the name of the Places of Use Feature Layer is "WRPOU". NevadaRights_POD_Sites: A Shapefile containing the Points of Diversion for the entire state of Nevada. NewMexicoRights_Points_of_Diversion: A Shapefile containing the Points of Diversion for the entire state of New Mexico. OregonRights_state_shp: A folder containing 36 Shapefiles and are split between "pod" (Point of Diversion) and "pou" (Place of Use) for each water management basin within Oregon. In other words, each basin has one "pod" file and one "pou" file. The "pod" files are point shapes, and the "pou" files are polygons. UtahRights_Points_of_Diversion: A Shapefile containing the Points of Diversion for the entire state of Utah. WashingtonRights_WaterDiversions_ECY_NHD: A Geodatabase file containing both the Points of Diversion for the entire state of Washington. The name of the Feature Layer within the Geodatabase is "WaterDiversions_ECY_NHD". WyomingRights: A folder containing four subdirectories, one for each Wyoming Water Division. Each Division directory includes a varying number of subdirectories for each Wyoming Water District. Each District folder contains two copies of the Point of Diversion records for that area, with one copying being in CSV and one copy in Microsoft Excel XLS format.

Lisk, Matthew↗
DOE OSTI2017

Spectral binning for energy production calculations and multijunction solar cell design

Currently, most solar cells are designed for and evaluated under standard spectra intended to represent typical spectral conditions. However, no single spectrum can capture the spectral variability needed for annual energy production (AEP) calculations, and this shortcoming becomes more significant for series-connected multijunction cells as the number of junctions increases. For this reason, AEP calculations are often performed on very detailed yearlong sets of data, but these pose 2 inherent challenges: (1) These data sets comprise thousands of data points, which appear as a scattered cloud of data when plotted against typical parameters and are hence cumbersome to classify and compare, and (2) large sets of spectra bring with them a corresponding increase in computation or measurement time. Here, we show how a large spectral set can be reduced to just a few 'proxy' spectra, which still retain the spectral variability information needed for AEP design and evaluation. The basic 'spectral binning' methods should be extensible to a variety of multijunction device architectures. In this study, as a demonstration, the AEP of a 4-junction device is computed for both a full set of spectra and a reduced proxy set, and the results show excellent agreement for as few as 3 proxy spectra. This enables much faster (and thereby more detailed) calculations and indoor measurements and provides a manageable way to parameterize a spectral set, essentially creating a 'spectral fingerprint,' which should facilitate the understanding and comparison of different sites.

14 SOLAR ENERGY↗
DOE OSTI2024

Interpretation of large‐scale, long‐term electrical geophysical monitoring guided by a process simulation

Abstract Surface electrical resistivity tomography (ERT) was used at a waste site to monitor vadose zone changes in electrical properties as a proxy for contaminant flux over a span of 17 years. The BC Cribs and Trenches (BCCT) site at the Hanford site contains 20 disposal trenches and six disposal cribs. Wastes include a large inventory of technetium‐99 and large masses of nitrate and uranium‐238. ERT data were collected along 41 profiles in 2005 to characterize regions of elevated bulk electrical conductivity (BEC) associated with past liquid waste discharges. Previous analyses performed on samples from four boreholes showed a high correlation between nitrate concentration and BEC. In 2022, ERT data were re‐collected along the same profiles and six additional profiles in an area not previously surveyed. Compared to background uncontaminated areas, BEC was higher in contaminated areas at the waste sites. Given the correlation between nitrate concentration and BEC previously found at this site, ERT images show the spatial distribution and relative ionic concentration of vadose zone contaminants at BCCT. Between 2005 and 2022, ERT difference images showed a decrease in BEC surrounding most waste sites, with exceptions where there were known anthropogenic surface changes. An evaluation of recharge‐driven nitrate migration using synthetic flow and transport simulations showed that downward migration causes a decrease in BEC from the decrease in ionic strength at the trailing end of the plume where contaminants migrated downward. From this, we interpret ERT difference images as showing the predominant regions of downward ion flux.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Initiation and Development of Wetlands in Southern Florida Karst Landscape Associated With Accumulation of Organic Matter and Vegetation Evolution

Biological processes can exert important controls on geomorphic evolution in karst landscapes, because carbonate mineral dissolution is augmented and spatially focused by the production of CO 2 and biogenic acids from organic matter (OM) decomposition. In Big Cypress National Preserve (BICY) in southwest Florida (USA), depressional wetlands embedded in a mosaic of pine uplands exhibit regular patterning. To understand the impact of OM decomposition as well as different OM sources on carbonate dissolution and landscape patterning, we measured bulk OM property and biomarker proxies (fatty acids and lignin phenols) in different zones (center vs. edge) of the depressional wetlands. We also constructed age profiles of sediment accretion and pattern genesis using 210Pb activities and compound- specific radiocarbon analysis (CSRA) of long-chain fatty acids. Bulk OM and biomarker data indicate rapid OM accumulation in wetland centers resulting from high primary production and near permanent inundation, in contrast to negligible OM accumulation at wetland edges. Age discontinuities suggest episodic periods of near complete OM loss due to decomposition and/or fire. Based on CSRA, landscape patterning likely initiated in the mid-to-late Holocene, with wetlands at slight higher elevation initiated earlier than wetlands at lower elevation. Bulk stable isotope and lignin phenol biomarkers indicate wetland vegetation was initially dominated by herbaceous species and shifted to woody dominated vegetation as landscape hydrology adjusted to changing precipitation. The rate of weathering is likely impacted by hydrological conditions, vegetation dynamics and environmental perturbations like precipitation and fires, suggesting that this karst landscape is a manifestation of complex ecosystem feedbacks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Improving E3SM Land Model Photosynthesis Parameterization via Satellite SIF, Machine Learning, and Surrogate Modeling

The parameterization of key photosynthesis parameters is one of the key uncertain sources in modeling ecosystem gross primary productivity (GPP). Solar-induced chlorophyll fluorescence (SIF) offers a good proxy for GPP since it marks the actual process of photosynthesis; while machine learning (ML) provides a robust approach to model the GPP-SIF relationship. Here, we trained the boosted regressing tree (BRT) and the Random Forest ML models with Greenhouse Gases Observing Satellite SIF data and in situ GPP observations from 49 eddy covariance towers. These trained ML GPP-SIF models were fed into the Energy Exascale Earth System Model (E3SM) Land Model (ELM) to generate ELM-simulated global SIF estimates, which were then benchmarked against satellite SIF observations with a surrogate modeling approach. Our results indicated good modeling performance of the ML-based GPP-SIF relationship. The ELM model when fed with the ML GPP-SIF models also can well predict the spatial-temporal variations in SIF. We also found high model accuracy for the surrogate modeling. Model parameter sensitivity analysis suggested that the fraction of leaf nitrogen in RuBisCO (flnr) is the most sensitive parameter to the SIF; other sensitive parameters include the Ball-Berry stomatal conductance slope (mbbopt) and the vcmax entropy (vcmaxse). The posterior uncertainty in simulated GPP was greatly reduced after benchmarking, and the model produced improved spatial patterns of mean GPP relative to FLUXCOM GPP. Our integrated approach provides a new avenue for improving land models and using remote-sensing SIF, which can be further improved in the future with more ground- and satellite-based observations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

A control-oriented combustion model framework for compression ignition engines operating on low-reactivity fuel

This work focuses on zero-dimensional modeling of the heat release rate in a compression ignition engine operating on gasoline-like fuels. Due to the properties of gasoline, such as high volatility and longer ignition delay than diesel, the injection strategies can vary significantly from the operation with conventional diesel fuel. Different injection strategies are commonly used to achieve varying degrees of in-cylinder stratification in order to shape the combustion event and maximize efficiency. The proposed zero-dimensional combustion model was developed to account for the different stages in combustion caused by the fuel stratification. As the ignition delay model is an integral part of the entire combustion process and significantly affects the prediction accuracy, special attention has been paid to local phenomena influencing ignition delay. A one-dimensional spray model by Musculus and Kattke was employed in conjunction with a Lagrangian tracking approach in order to estimate the local air–fuel ratio within the spray tip, as a proxy for reactivity. The local air–fuel ratio, in-cylinder temperature and pressure were used in an integral fashion to estimate the ignition delay. Heat release rates were modeled using first-order non-linear differential equations. The proposed combustion model was validated against experimental data of a heavy-duty compression ignition engine with up to three injection events at mostly 1038 r/min and 14 bar brake mean effective pressure. Further validation of the model was carried out at other engine loads and speeds. Model prediction errors in CA50 of less than 1 °CA across all conditions were found. Modeling results of other combustion metrics such as combustion duration and indicated mean effective pressure are also highly satisfactory. In addition, the model has been shown to be capable of estimating the ringing intensity for most conditions.

Pamminger, Michael↗
DOE OSTI2026

Super-Resolved Single-Molecule Tracking Studies of Rhodamine B Accumulation on Fresh and Aged Polyethylene Terephthalate

It is well-known that toxic organic micropollutants (OMs) accumulate on the surfaces of microplastics. However, much remains to be learned about the exact molecular level mechanisms of OM accumulation and how these evolve as the plastics age. In this work, super-resolved single-molecule tracking (SMT) is used for the first time to investigate the accumulation of Rhodamine B (RhB) dye on fresh and artificially aged polyethylene terephthalate (PET) surfaces. PET thin films serve as models for microplastics, while RhB serves as a proxy for the OMs they accumulate. Artificial aging of the films is accomplished by exposing them in a UV-ozone chamber. Water contact angle, spectroscopic ellipsometry, and carbonyl index measurements reveal a gradual decrease in film hydrophobicity, thickness, and carbonyl content with age. Atomic force microscopy (AFM) data reveal an increase in surface roughness and confirm that the films remain largely intact and continuous across the aging times explored. In SMT experiments, wide-field fluorescence videos acquired from the water/PET interface under 7.5 pM RhB reveal both mobile and immobile dye molecules. Measurements of the frame-to-frame displacements of the dye show that diffusion occurs by a desorption-mediated mechanism and that the diffusion rate varies with PET film age. The surface density of mobile dye molecules decreases with increasing PET age, while the population of immobile molecules becomes relatively larger, suggesting an age-dependent transformation of the mechanism(s) by which the dye is accumulated. SMT data reveal that both mobile and immobile molecules repeatedly adsorb over the same surface sites, consistent with the emergence of nanoscale PET surface heterogeneity also revealed by AFM. Estimates of the adsorption coefficients are obtained using a nearest-neighbor analysis, giving values from 9.9 × 10 5 to 2.1 × 10 6 M –1 for immobile molecules and from 1.8 × 10 5 to 2.5 × 10 5 M –1 for mobile molecules on fresh and 5 min aged PET, respectively. Here, anomalous age-dependent variations in the velocity of molecular motion on the PET surface and in the population of immobile molecules are shown to correlate with changes in the strength of RhB adsorption.

Adsorption↗
DOE OSTI2021

Hole formation effect on surface morphological response of plasma-facing tungsten

We report simulation results on the effect of helium (He) bubble bursting-mediated surface hole formation on the surface morphological response of tungsten plasma-facing components (PFCs) in nuclear fusion devices. Our analysis is based on an atomistically informed, continuum-scale model, which is capable of accessing the spatiotemporal scales relevant to the fuzz nanostructure formation process on the surface of PFC tungsten. Our simulations account, in an empirical fashion, for two types of subsurface bubble dynamical phenomena in the nanobubble region of PFC tungsten during He plasma irradiation, involving bubble bursting and surface crater formation. We demonstrate that the hole formation effect on the PFC tungsten surface accelerates the growth rate of nanotendrils and the onset of fuzz formation. As a result, the predicted incubation time for surface nanotendril growth is shortened, in agreement with experimental data of incubation fluence at comparable plasma exposure conditions. We also explore systematically the dependence of the PFC surface morphological response on the areal density of holes introduced at regular time intervals onto the He-implanted tungsten surface, a parameter in our analysis that serves as a proxy for the rate of He bubble bursting. More importantly, our simulations capture fine surface features in the PFC tungsten surface morphology and predict that the average spacing between nanotendrils is on the order of 100 nm, consistent with the experimental findings.

Chen, Chao-Shou (ORCID:0000000307910042)↗
DOE OSTI2018

Assessment of Perennial Grass Inventories Predicted in the Billion-Ton Studies

Here, we report the U.S. Department of Energy (DOE) has estimated herbaceous biomass availability through simulations with the Policy Analysis System (POLYSYS) agricultural modeling framework. An operational assumption for POLYSYS limited conversion of pastureland to perennial grass crops to counties east of the 100th meridian as a proxy for precipitation sufficient for economically viable yield, but allowed cropland conversion regardless of location. Knowledge of local conditions raised questions about predicted biomass quantities for Texas counties in the 2011 assessment. POLYSYS was rerun with different assumptions, specifically replacing the 100th meridian boundary with annual average precipitation data and limiting cropland conversion in low-rainfall counties. Perennial grass production was found to be overestimated by 8% and 87% in the U.S. and Texas, respectively (at $66.14 DMg -1 ), when limiting all land conversion to regions with >635 mm precipitation. Total herbaceous biomass predicted was approximately the same as in the BT2, but the biomass geographical location changed across the nation. Texas’ biomass contribution decreased from 6% to 1% at $66.14 DMg -1 and from 16% to 11% at $88.18 DMg -1 . Lastly, subsequent to this research being conducted, the DOE released the 2016 biomass inventory assessment, and these results are compared to those newest estimates.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Measuring Black Hole Light Echoes with Very Long Baseline Interferometry

Light passing near a black hole can follow multiple paths from an emission source to an observer due to strong gravitational lensing. Photons following different paths take different amounts of time to reach the observer, which produces an echo signature in the image. The characteristic echo delay is determined primarily by the mass of the black hole, but it is also influenced by the black hole spin and inclination to the observer. In the Kerr geometry, echo images are demagnified, rotated, and sheared copies of the direct image and lie within a restricted region of the image. Echo images have exponentially suppressed flux, and temporal correlations within the flow make it challenging to directly detect light echoes from the total light curve. In this Letter, we propose a novel method to search for light echoes by correlating the total light curve with the interferometric signal at high spatial frequencies, which is a proxy for indirect emission. We explore the viability of our method using numerical general relativistic magnetohydrodynamic simulations of a near-face-on accretion system scaled to M87-like parameters. We demonstrate that our method can be used to directly infer the echo delay period in simulated data. An echo detection would be clear evidence that we have captured photons that have circled the black hole, and a high-fidelity echo measurement would provide an independent measure of fundamental black hole parameters. Our results suggest that detecting echoes may be achievable through interferometric observations with a modest space-based very long baseline interferometry mission.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

An adjoint-based optimization method for jointly inverting heterogeneous material properties and fault slip from earthquake surface deformation data

SUMMARY Analysis of tectonic and earthquake-cycle associated deformation of the crust can provide valuable insights into the underlying deformation processes including fault slip. How those processes are expressed at the surface depends on the lateral and depth variations of rock properties. The effect of such variations is often tested by forward models based on a priori geological or geophysical information. Here, we first develop a novel technique based on an open-source finite-element computational framework to invert geodetic constraints directly for heterogeneous media properties. We focus on the elastic, coseismic problem and seek to constrain variations in shear modulus and Poisson’s ratio, proxies for the effects of lithology and/or temperature and porous flow, respectively. The corresponding nonlinear inversion is implemented using adjoint-based optimization that efficiently reduces the cost function that includes the misfit between the calculated and observed displacements and a penalty term. We then extend our theoretical and numerical framework to simultaneously infer both heterogeneous Earth’s structure and fault slip from surface deformation. Based on a range of 2-D synthetic cases, we find that both model parameters can be satisfactorily estimated for the megathrust setting-inspired test problems considered. Within limits, this is the case even in the presence of noise and if the fault geometry is not perfectly known. Our method lays the foundation for a future reassessment of the information contained in increasingly data-rich settings, for example, geodetic GNSS constraints for large earthquakes such as the 2011 Tohoku-oki M9 event, or distributed deformation along plate boundaries as constrained from InSAR.

Geochemistry & Geophysics↗
DOE OSTI2022

Cadmium isotope systematics in sedimentary carbonate: Extending the utility of the cadmium isotope palaeo-productivity proxy

The cadmium (Cd) isotope compositions of seven Holocene (<11.7 ka) carbonate sediments, including the bulk carbonate, as well as the > 140 μm (zooplankton), <63 μm and < 20 μm (phytoplankton) fractions, and individual species of foraminifera isolated from the bulk carbonate were obtained for sub-samples processed using the Cd-cleaning and Mg/Ca cleaning methods. The respective Cd isotope systematics of each carbonate archive were then compared with the Cd isotope signature within the ocean using modern seawater data. We show that a constant Cd isotope fractionation factor of -0.25 ± 0.03 ‰ (2SE, n = 4) describes the partitioning of Cd from seawater into the carbonate phase ($Δ^{114}Cd_{CdC O_3 - seawater}$), allowing for accurate reconstructions of the past seawater nutrient regime. The Cd isotope signature of the < 63 µm and < 20 µm (phytoplankton) fractions can display comparable values to those recorded in the modern surface ocean, and can be used to model the magnitude of Cd uptake and utilisation in the past ocean. Individual species of planktic and benthic foraminifera, which inhabit different depths of the water column, can provide a full surface to deep water column reconstruction of the Cd nutrient regime, while infaunal benthic foraminifera can be used to interrogate the Cd isotope systematics of sediment porewaters. Bulk sediment and the > 140 µm (zooplankton) fraction also retain important information relating to the overlying water column Cd isotope systematics and can serve as essential archives for palaeo-productivity reconstructions where the separation of individual components from the bulk sediment is not possible. This new Cd isotope palaeo-productivity toolkit can considerably aid reconstruction efforts and vastly improves the ability to quantify the role of phytoplankton in modulating carbon sequestration through transitions in Earth’s climate evolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Fluorescent Amplification of Next Generation Sequencing Libraries Tools (FA-NGS tools) v1

This is a software utility for calculating pooling volumes and graphing quality control data of next generation sequencing libraries amplified with fluorescent intercalating agents and monitored by real-time quantitative PCR (qPCR). The tool is used to calculate pooling volumes of individual next generation sequencing libraries based on experimentally determined fluorescence values. To do this, fluorescent values are used as a proxy for relative concentration to determine the ratio of transfer volumes. The output is a "transfer file" that specifies the transfer volume and destination well of a given library. The tool can also be used to assess the quality of individual next generation sequencing libraries by melting curve analysis. The output are small-multiples graphs of the melting curves of individual sequencing libraries according to the specified plate layout.

Garber, Megan↗
DOE OSTI2021

Hydrogen Plus Other Alternative Fuels Risk Assessment Models (HyRAM+) (Technical Reference Manual V.4)

The HyRAM+ software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen, methane, and propane infrastructure and transportation systems. HyRAM+ is designed to facilitate the use of state-of-the-art science and engineering models to conduct robust, repeatable assessments of safety, hazards, and risk. HyRAM+ includes generic probabilities for equipment failures, probabilistic models for the impact of heat flux on humans and structures, and experimentally validated first-order models of release and flame physics. HyRAM+ integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing hazards (thermal effects from jet fires, overpressure effects from delayed ignition), and assessing impact on people and structures. HyRAM+ is developed at Sandia National Laboratories to support the development and revision of national and international codes and standards. HyRAM+ is a research software in active development and thus the models and data may change. This report will be updated at appropriate developmental intervals. This document provides a description of the methodology and models contained in HyRAM+ version 4.0. The most significant change for HyRAM+ version 4.0 from HyRAM version 3.1 is the incorporation of other alternative fuels, namely methane (as a proxy for natural gas) and propane into the toolkit. This change necessitated significant changes to the installable graphical user interface as well as changes to the back-end Python models. A second major change is the inclusion of physics models for the overpressure associated with the delayed ignition of an unconfined jet/plume of flammable gas.

02 PETROLEUM↗
DOE OSTI2022

The outer stellar mass of massive galaxies: a simple tracer of halo mass with scatter comparable to richness and reduced projection effects

ABSTRACT Using the weak gravitational lensing data from the Hyper Suprime-Cam Subaru Strategic Program (HSC survey), we study the potential of different stellar mass estimates in tracing halo mass. We consider galaxies with log10(M⋆/M⊙) > 11.5 at 0.2 < z < 0.5 with carefully measured light profiles, and clusters from the redMaPPer and CAMIRA richness-based algorithms. We devise a method (the ‘Top-N test’) to evaluate the scatter in the halo mass–observable relation for different tracers, and to inter-compare halo mass proxies in four number density bins using stacked galaxy–galaxy lensing profiles. This test reveals three key findings. Stellar masses based on CModel photometry and aperture luminosity within R <30 kpc are poor proxies of halo mass. In contrast, the stellar mass of the outer envelope is an excellent halo mass proxy. The stellar mass within R = [50, 100] kpc, M⋆, [50, 100], has performance comparable to the state-of-the-art richness-based cluster finders at log10Mvir ≳ 14.0 and could be a better halo mass tracer at lower halo masses. Finally, using N-body simulations, we find that the lensing profiles of massive haloes selected by M⋆, [50, 100] are consistent with the expectation for a sample without projection or mis-centring effects. Richness-selected clusters, on the other hand, display an excess at R ∼ 1 Mpc in their lensing profiles, which may suggest a more significant impact from selection biases. These results suggest that M⋆-based tracers have distinct advantages in identifying massive haloes, which could open up new avenues for cluster cosmology. The codes and data used in this work can be found here:

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Nuclear Waste Tank Emission Contributions to Particle Size Distribution

Pollutants from anthropogenic activities including industrial processes are ubiquitous to the environment. To understand the impact from industrial aerosol on climate and human health, industrial aerosol needs to be better characterized. Here, in this study, particle number concentrations were used as a proxy for atmospheric pollutants, which include both particles and gases. Particle concentration and size distribution were measured using a scanning mobility particle sizer (SMPS) approximately 4.5 km from primary industrial areas at the Savannah River Site in Aiken, SC. Industrial areas include numerous nuclear waste storage and processing tanks. The SMPS data were divided into two groups depending on the wind direction measured onsite to categorize transport from the industrial area or from elsewhere. Industrial contributions were found to have a higher concentration of particles with sizes less than 200 nm, 859 ± 564 cm -3 , in comparison to non-industrial attributed particles, 733 ± 495 cm -3 on average from March-July 2021. For sizes larger than 200 nm, industrial and non-industrial particles have a similar concentration, 89 ± 59 cm -3 and 99 ± 61 cm -3 , with non-industrial concentrations being slightly larger. To confirm that industrial particles could travel to the sampling location, air dispersion modeling was completed for specific case studies during the sampling period. The atmospheric dispersion modeling results confirmed that particles released at the industrial areas reached the sampling location when the wind direction was favorable for transport from the industrial areas. The greater concentration of smaller-sized particles in industrial emissions has implications for typical particulate measurements (PM2.5), heath impacts, and climatological influences.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗