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Developing Satellite-Assisted Particulate Matter (SAPM) Estimates over India for the MIRA Working Group

The Models, In Situ, and Remote Sensing of Aerosols (MIRA) Working Group is an international collective that encourages collaboration among researchers from these three atmospheric aerosol communities. MIRA currently comprises five interdisciplinary and independently funded Topic Groups, each with specific goals, and involves requests for additional scientific datasets. The Satellite-Assisted Particulate Matter (SAPM) Topic Group, as part of MIRA, focuses on studying particulate matter smaller than 2.5 microns in diameter (PM2.5) due to its significant contribution to air pollution and its harmful effects on human health. While the annual mean PM2.5 levels are typically low (~5-15 μg/m³) across most of the contiguous United States (CONUS), other countries experience much higher concentrations (e.g., India). SAPM aims to compare different methods and techniques for obtaining surface PM2.5 proxies using spaceborne passive and active remote sensors, aerosol models, and in situ measurements. Ultimately, SAPM aims to provide more extensive coverage of PM2.5 concentrations than what is currently available from in situ ground stations, which are limited in some parts of the CONUS and large regions worldwide. Current SAPM members are exploring PM2.5 estimation techniques using active sensors. This presentation offers an overview of these techniques and highlights the strengths and limitations of each approach. These techniques include 1) spaceborne lidar (CALIOP: Cloud-Aerosol Lidar with Orthogonal Polarization) alone, and 2) a combination of spaceborne lidar (CATS: Cloud Aerosol Transport System) and a global aerosol transport model (GEOS: Goddard Earth Observing System). Additionally, we present a case study featuring our SAPM research in India, a country with high levels of PM2.5 concentrations (i.e., state-level annual means of ~100-200 μg/m³). Consistent spatial patterns in PM2.5 over India are found from the in situ data, CALIOP-based, and CATS/model-based methods, with the highest concentrations found in northern India near New Delhi. The gridded PM2.5 analysis yields high R values between in situ and CATS/model (~0.7) and between in situ and CALIOP nighttime (~0.9), as well as good agreement between CATS/model and CALIOP nighttime PM2.5 estimates (R = ~0.8 and slope = ~0.9). For current and future efforts, the SAPM Topic Group is actively seeking new collaborators, especially those working with in situ aerosol measurements, and is interested in acquiring additional aerosol datasets to improve and validate the PM2.5 proxies.

Travis D Toth↗

DOE OSTI2023

The Spatial Clustering of ROSAT All-Sky Survey Active Galactic Nuclei. V. The Evolution of Broad-line AGN Clustering Properties in the Last 6 Gyr

This is the fifth paper in a series of investigations of the clustering properties of luminous, broad-emission-line active galactic nuclei (AGNs) identified in the ROSAT All-Sky Survey (RASS) and Sloan Digital Sky Survey (SDSS). In this work we measure the cross-correlation function (CCF) between RASS/SDSS Data Release 14 AGNs with the SDSS CMASS galaxy sample at 0.44 < z < 0.64. We apply halo occupation distribution (HOD) modeling to the CCF along with the autocorrelation function of the CMASS galaxies. We find that X-ray-selected and optically selected AGNs at 0.44 < z < 0.64 reside in statistically identical halos with a typical dark matter halo (DMH) mass of $M$$^{typ,AGN}_{DMH}$ ~ 10 12.7 h –1 M ⊙ . The acceptable HOD parameter space for these two broad-line AGN samples have only statistically marginal differences caused by small deviations of the CCFs in the one-halo-dominated regime on small scales. In contrast to optically selected AGNs, the X-ray AGN sample may contain a larger population of satellites at MDMH ~ 1013h–1M⊙. We compare our measurements in this work with our earlier studies at lower independent redshift ranges, spanning a lookback time of 6 Gyr. The comparison over this wider redshift range of 0.07 < z < 0.64 reveals (i) no significant difference between the typical DMH masses of X-ray-selected and optically selected AGNs, (ii) weak positive clustering dependencies of $M$$^{typ,AGN}_{DMH}$ with L X and M BH , (iii) no significant dependence of $M$$^{typ,AGN}_{DMH}$ on Eddington ratio, and (iv) the same DMH masses host more-massive accreting black holes at high redshift than at low redshifts.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Magnetic Weyl Semimetallic Phase in Thin Films of Eu 2 Ir 2 O 7

The interplay between electronic interactions and strong spin-orbit coupling is expected to create a plethora of fascinating correlated topological states of quantum matter. Of particular interest are magnetic Weyl semimetals originally proposed in the pyrochlore iridates, which are only expected to reveal their topological nature in thin film form. To date, however, direct experimental demonstrations of these exotic phases remain elusive, due to the lack of usable single crystals and the insufficient quality of available films. Here, in this study, we report on the discovery of signatures for the long-sought magnetic Weyl semimetallic phase in (111)-oriented Eu 2 Ir 2 O 7 high-quality epitaxial thin films. We observed an intrinsic anomalous Hall effect with colossal coercivity but vanishing net magnetization, which emerges right below the onset of a peculiar magnetic phase with all-in-all-out (AIAO) antiferromagnetic ordering. The anomalous Hall conductivity obtained experimentally is consistent with the theoretical prediction, likely arising from the nonzero Berry curvature emanated by Weyl node pairs near the Fermi level that act as sources and sinks of Berry flux, activated by broken cubic crystal symmetry at the top and bottom terminations of the thin film.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Real-Space Local Dynamics in 1,2,3-Triazole Using Inelastic Neutron Scattering

Enhancing proton transport in polymer electrolytes is crucial for advancing next-generation solid-state batteries, yet our understanding of proton conductivity in nonaqueous environments remains limited due to a lack of atomic-scale insights. Here, in this study, we investigated the atomic-scale dynamics of 1,2,3-triazole, a small molecule capable of dynamic hydrogen bonding, as a model system for proton hopping in nonaqueous environments. Using the real-space correlation function determined by the double Fourier transformation of inelastic neutron scattering spectra, we identified that the self-motion of protons and intermolecular dynamics occur on comparable time scales. Furthermore, we observed that the activation energy associated with the intermolecular dynamics matches the energy barrier for molecular rotations determined through Density Functional Theory calculations. These findings underscore the importance of controlling molecular dynamics at the atomic scale to control proton transport. Additionally, we demonstrated that intermolecular dynamics in systems involving protons can be studied using inelastic neutron scattering even without deuteration, thereby providing a broader avenue for studying atomic-scale dynamics in soft matter systems.

Shinohara, Yuya [Oak Ridge National Laboratory (OR↗

DOE OSTI2022

Bacterial community dynamics explain carbon mineralization and assimilation in soils of different land-use history

Soil dwelling microorganisms are key players in the terrestrial carbon cycle, driving both the degradation and stabilization of soil organic matter. Bacterial community structure and function vary with respect to land use; yet the ecological drivers of this variation remain poorly described and difficult to predict. For this work, we conducted a multi-substrate DNA-stable isotope probing experiment across cropland, old-field, and forest habitats to link carbon mineralization dynamics with the dynamics of bacterial growth and carbon assimilation. We tracked the movement of 13 C derived from five distinct carbon sources as it was assimilated into bacterial DNA over time. We show that carbon mineralization, community composition, and carbon assimilation dynamics all differed with respect to land use. We also show that microbial community dynamics affect carbon assimilation dynamics and are associated with soil DNA content. Soil DNA yield is easy to measure and may be useful in predicting microbial community dynamics linked to soil carbon cycling. Soil dwelling microorganisms are key players in the terrestrial carbon cycle, driving both the degradation and stabilization of soil organic matter. Microbial communities vary with respect to land use, but we still have an incomplete understanding of how variation in community structure links to variation in community function. DNA stable isotope probing (DNA-SIP) is a high-resolution method that can identify specific microbial taxa that assimilate carbon in situ. We conducted a large-scale multi-substrate DNA-SIP experiment to explore differences in bacterial activity across land-use regimes. We show that microbial community dynamics vary with land use, that these dynamics are linked to soil carbon cycling, and that they are associated with easily measured soil properties.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2013

X-ray View of Four High-Luminosity Swift-BAT AGN: Unveiling Obscuration and Reflection with Suzaku

Aims. A complete census of obscured Active Galactic Nuclei (AGN) is necessary to reveal the history of the super massive black hole (SMBH) growth and galaxy evolution in the Universe given the complex feedback processes and the fact that much of this growth occurs in an obscured phase. In this context, hard X-ray surveys and dedicated follow-up observations represent a unique tool for selecting highly absorbed AGN and for characterizing the obscuring matter surrounding the SMBH. Here we focus on the absorption and reflection occurring in highly luminous, quasar-like AGN, to study the relation between the geometry of the absorbing matter and the AGN nature (e.g. X-ray, optical, and radio properties), and to help to determine the column density dependency on the AGN luminosity. Methods. The Swift/BAT nine-month survey observed 153 AGN, all with ultra-hard X-ray BAT fluxes in excess of 10(exp −11) erg per square centimeter and an average redshift of 0.03. Among them, four of the most luminous BAT AGN (44.73 less than LogLBAT less than 45.31) were selected as targets of Suzaku follow-up observations: J2246.0+3941 (3C 452), J0407.4+0339 (3C 105), J0318.7+6828, and J0918.5+0425. The column density, scattered/reflected emission, the properties of the Fe K line, and a possible variability are fully analyzed. For the latter, the spectral properties from Chandra, XMM-Newton and Swift/XRT public observations were compared with the present Suzaku analysis, adding an original spectral analysis when non was available from the literature. Results. Of our sample, 3C 452 is the only certain Compton-thick AGN candidate because of i) the high absorption (N(sub H) approximately 4 × 10(exp 23) per square centimeter) and strong Compton reflection; ii) the lack of variability; iii) the "buried" nature, i.e. the low scattering fraction (less than 0.5%) and the extremely low relative [OIII] luminosity. In contrast 3C 105 is not reflection-dominated, despite the comparable column density, X-ray luminosity and radio morphology, but shows a strong long-term variability in flux and scattering fraction, consistent with the soft emission being scattered from a distant region (e.g., the narrow emission line region). The sample presents high (greater than 100) X-to- [OIII] luminosity ratios, with an extreme value of R(sup X)(sub [OIII]) approximately 800 for 3C 452, confirming the [OIII] luminosity to be affected by residual extinction in presence of mild absorption, especially for "buried" AGN such as 3C 452. Three of our targets are powerful FRII radio galaxies, which is shown by their high luminosity and absorption; this makes them the most luminous and absorbed AGN of the BAT Seyfert survey despite the inversely proportional N(sub H) - L(sub X) relation.

SwiftBAG AGN↗

NASA NTRS2016

Evidence for the Thermal Sunyaev Zeldovich Effect Associated with Quasar Feedback

Using a radio-quiet subsample of the Sloan Digital Sky Survey spectroscopic quasar catalogue, spanning redshifts 0.5-3.5, we derive the mean millimetre and far-infrared quasar spectral energy distributions (SEDs) via a stacking analysis of Atacama Cosmology Telescope and Herschel-Spectral and Photometric Imaging REceiver data. We constrain the form of the far-infrared emission and find 3 sigma-4 sigma evidence for the thermal Sunyaev-Zel'dovich (SZ) effect, characteristic of a hot ionized gas component with thermal energy (6.2 plus or minus 1.7) × 10 (exp 60) erg. This amount of thermal energy is greater than expected assuming only hot gas in virial equilibrium with the dark matter haloes of (1-5) × 10(exp 12) h(exp −1) solar mass that these systems are expected to occupy, though the highest quasar mass estimates found in the literature could explain a large fraction of this energy. Our measurements are consistent with quasars depositing up to (14.5 +/- 3.3)tau (sub 8)(exp -1) per cent of their radiative energy into their circumgalactic environment if their typical period of quasar activity is tau(sub 8) x 108 yr. For high quasar host masses, approximately 10(exp 13) h(exp −1) solar mass, this percentage will be reduced. Furthermore, the uncertainty on this percentage is only statistical and additional systematic uncertainties enter at the 40 per cent level. The SEDs are dust dominated in all bands and we consider various models for dust emission. While sufficiently complex dust models can obviate the SZ effect, the SZ interpretation remains favoured at the 3 sigma-4 sigma level for most models.

Sunyaev-Zeldovich (SZ)↗

DOE OSTI2023

Soft matter roadmap

Soft materials are usually defined as materials made of mesoscopic entities, often self-organised, sensitive to thermal fluctuations and to weak perturbations. Archetypal examples are colloids, polymers, amphiphiles, liquid crystals, foams. The importance of soft materials in everyday commodity products, as well as in technological applications, is enormous, and controlling or improving their properties is the focus of many efforts. From a fundamental perspective, the possibility of manipulating soft material properties, by tuning interactions between constituents and by applying external perturbations, gives rise to an almost unlimited variety in physical properties. Together with the relative ease to observe and characterise them, this renders soft matter systems powerful model systems to investigate statistical physics phenomena, many of them relevant as well to hard condensed matter systems. Understanding the emerging properties from mesoscale constituents still poses enormous challenges, which have stimulated a wealth of new experimental approaches, including the synthesis of new systems with, e.g. tailored self-assembling properties, or novel experimental techniques in imaging, scattering or rheology. Theoretical and numerical methods, and coarse-grained models, have become central to predict physical properties of soft materials, while computational approaches that also use machine learning tools are playing a progressively major role in many investigations. This Roadmap intends to give a broad overview of recent and possible future activities in the field of soft materials, with experts covering various developments and challenges in material synthesis and characterisation, instrumental, simulation and theoretical methods as well as general concepts.

36 MATERIALS SCIENCE↗

DOE OSTI2023

High-frequency phonons drive large phonon-drag thermopower in semiconductors at high carrier density

It has been well established that (i) the thermopower of semiconductors can be enhanced through a phe- nomenon known as the drag effect, and (ii) the drag enhancement involves only low-frequency acoustic phonons and benefits from low electron densities and low temperatures. Using first-principles calculations we show that large drag enhancements to the thermopower are possible at high carrier density even at room temperature and arise from high-frequency acoustic phonons. A fascinating example is cubic boron arsenide (BAs) for which the calculated room temperature drag enhancement of the thermopower exceeds an order of magnitude at a high hole density of 10 21 cm –3 . This remarkable behavior stems from the simultaneously weak phonon-phonon and phonon-hole scattering of the high-frequency phonons in BAs that become drag active at high carrier densities through electron-phonon interactions. Furthermore, this work advances our understanding of coupled electron-phonon nanoscale transport and introduces an unexpected paradigm for achieving large thermopowers.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Summary of Technical Peer Review on the Risk Assessment Framework proposed in Report INL/RPT-22-68656 for Digital Instrumentation and Control Systems

This report summarizes the peer review activities initiated by Idaho National Laboratory (INL) during fiscal year (FY) 2023 for the evaluation and improvement of the methodology developed under the U.S. Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program, Risk Informed Systems Analysis (RISA) Pathway, digital instrumentation and control (DI&C) risk assessment project. In FY 2019, the RISA Pathway initiated a project to develop a risk assessment strategy for delivering a technical basis to support effective and secure DI&C technologies for digital upgrades/designs. A framework was proposed for this strategy, which aims to (1) provide a best-estimate, risk-informed capability to quantitatively and accurately estimate the risk impact of plant modernization, considering the introduction of high safety-significant safety-related (HSSSR) DI&C systems, (2) support and supplement existing risk-informed DI&C design guides by providing quantitative risk information and evidence, (3) offer a capability of design architecture evaluation of various DI&C systems, (4) assure the long-term safety and reliability of HSSSR DI&C systems, and (5) reduce uncertainty in costs and support integration of DI&C systems in the plant. The R&D efforts of this project from FY 2019 through FY 2022 were focused on methodology improvement and demonstration of the proposed framework for the risk assessment and design optimization of safety-critical DI&C systems. Collaborations with the nuclear industry have been initiated to support the reliability and risk assessment of their DI&C systems by using the proposed framework. In FY 2023, the framework has reached to a point for a technical peer review and obtain stakeholder feedback. This peer review activity includes coordination of the reviews performed by a group of industry stakeholders, documentation of the peer review suggestions, providing resolutions and responses to the peer review comments. The objective of this technical peer review is to obtain representative feedback on the proposed framework to improve the technical qualities of its methodology and readiness for deployment to the industry. Feedback may identify potential areas for improvement and further development. The Subject Matter experts were invited to review the latest project report documenting the methodology developed in the project and provide evaluations of the technical qualities of the proposed framework and relevant methods. The reviewed project report is “An Integrated Framework for Risk Assessment of High Safety-significant Safety-related Digital Instrumentation and Control Systems in Nuclear Power Plants: Methodology and Demonstration” INL/RPT-22-68656 (short as “INL/RPT-22-68656” in this report). This peer review report documents the technical questions provided for technical peer review and introduces the technical peer reviewers from the stakeholders including nuclear utilities, regulators, and universities. Comments from technical peer reviewers and the resolutions and responses to these comments are outlined. Insights and lessons learned from the technical peer review are summarized in conclusions and future work. The primary audience of this report are DI&C designers, engineers, and probabilistic risk assessment (PRA) practitioners. This includes stakeholders, such as the nuclear utilities and regulators who consider the deployment and upgrade of DI&C systems, DI&C software developers and reviewers, and cybersecurity specialists.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS1995

Far-ultravoilet and optical spectrscopy of the detached white dwarf-M binary RE J1629+780

We present optical and far-ultraviolet observations, including IUE high- and low-dispersion spectroscopy, of the (DA2+dM4-5) close binary, RE J1629+780, a very bright ROSAT EUV source. The optical data reveal emission reversals in the cores of the Balmer lines, which vary in strength but reveal no evidence of wavelength shifts reflecting orbital motion, suggesting that the red dwarf and the white dwarf are widely separated. Thus it is unlikely that irradiation plays a dominant role in the activity of the red dwarf. One dramatic increase in the intensity of the H-beta emission strength in the course of one hour indicates that the observed intensity variations are most likely related to flare activity on the red dwarf. Our analysis of Balmer and Lyman alpha features yield T(sub eff) = 42,500 +/- 1300 K and log g = 7.6 +/- 0.3 for the DA2 white dwarf, which is consistent with the overall 900 to 3200 A energy distribution derived from Voyager and IUE low-dispersion spectra. Our analysis of three IUE echelle spectra reveal numerous lines of interstellar origin. Using a total of 13 interstellar matter (ISM) features we find a mean radial velocity of -13.57 +/- 1.66 km/s for the interstellar features. However, we found no evidence of trace metal absorbers levitated or accreted in the white-dwarf photosphere nor any evidence of circumstellar or wind features. We estimate a lower limit hydrogen layer mass of 2.1 x 10(exp -15) solar mass for a stratified atmosphere based upon the nondetection of He II (1640). Tighter constraints on the helium abundance and the hydrogen layer mass, from EUV and X-ray data, are presented for both homogeneous and stratified atmospheric configurations.

Sion, Edward M.↗

DOE OSTI2024

SQMS Quantum R&D in Machine Learning, Optimization and Sensing beyond Fundamental Physics Applications

This newly formed team at SQMS under the Ecosystem Thrust is looking to develop capabilities impacting societal advances outside the core domain of HEP and condensed matter physics. We explicitly leverage the experimental and algorithmic innovations developed across all groups as well as connect to broad-scope external projects of the diverse team of PIs. As the inaugural set of projects, we are studying numerically quantum machine learning models inspired by efficiently trainable echo-state and orthogonal neural networks and developing designs for related experiments to be performed on quantum processors based on SQMS SRF cQED technology and Rigetti s transmon arrays. Investigated models exploit ideas and lessons learned from multiple prior work by SQMS team members in a variety of internal and external activities [R1]. Target initial applications include noisy signal processing, potentially captured by quantum sensors or noisy QPUs, as well as simulation and classification of healthcare data. For instance, image reconstruction of the brain s electrical properties by solving the inverse Maxwell equation problem with uncertainty [R2] through a hybrid quantum-classical physics-informed architecture for time-dependent processes [R3]. The group is also investigating the application and development of novel quantum sensors based on magnetic levitation of a superconducting sphere coupled to a superconducting qubit. This coupling enables high-precision measurements of the position of the sphere, which can be used for sensitive detection of forces, enabling practical applications such as gravimetry for geophysics analysis, or accelerometry for GPS-denied navigation [R4] [R1] Rieffel, Eleanor G., Ata Akbari Asanjan, M. Sohaib Alam, Namit Anand, David E. Bernal Neira, Sophie Block, Lucas T. Brady et al. "Assessing and advancing the potential of quantum computing: A NASA case study." Future Generation Computer Systems (2024). [R2] Yu, X., Serrall s, J.E., Giannakopoulos, I.I., Liu, Z., Daniel, L., Lattanzi, R. and Zhang, Z., 2023. Pifon-ept: Mr-based electrical property tomography using physics-informed fourier networks. IEEE Journal on Multiscale and Multiphysics Computational Techniques. [R3] Wudarski, Filip, Daniel OConnor, Shaun Geaney, Ata Akbari Asanjan, Max Wilson, Elena Strbac, P. Aaron Lott, and Davide Venturelli. "Hybrid quantum-classical reservoir computing for simulating chaotic systems." arXiv preprint arXiv:2311.14105 (2023). [R4] Higgins, Gerard, Saarik Kalia, and Zhen Liu. "Maglev for dark matter: Dark-photon and axion dark matter sensing with levitated superconductors." Physical Review D 109.5 (2024): 055024.

Venturelli, Davide↗

DOE OSTI2021

Kinetic and temperature sensitivity properties of soil exoenzymes through the soil profile down to one-meter depth at a temperate coniferous forest (Blodgett, CA)

This dataset contains data on kinetic and temperature sensitivity parameters of the exoenzymes β-glucosidase (BG), leucine/leucyl aminopeptidase (LAP) and acid phosphatase (AP) across a soil profile down to 90 cm depth at Blodgett forest, CA, USA. These data were generated to determine if kinetic and thermal properties of microbial exoenzymes involved in organic matter decomposition varied with soil depth, following variation in soil properties and microbial communities, as part of the study: Alves et al. (2021). Kinetic Properties of Microbial Exoenzymes Vary with Soil Depth but Have Similar Temperature Sensitivities Through the Soil Profile. Frontiers in Microbiology 12:3618. https://doi.org/10.3389/fmicb.2021.735282. This research was performed within the framework of the TES Belowground Biogeochemistry SFA project, in particular association with a long-term field warming experiment of the whole soil profile at Blodgett forest. Samples for this work were collected from locations representative of the field experimental plots. Potential enzyme activity rates were measured using laboratory fluorometric assays with soils collected at 0-10, 10-20, 30-40, 50-60, 60-70 and 80-90 cm deep in biological triplicates (i.e., three soil cores collected at different representative locations). Assays with each soil were conducted over a gradient of eight substrate concentrations per enzyme, and incubated at 4, 10, 16, 25, 35 or 50°C. Enzyme Michaelis-Menten kinetics were modeled over the eight substrate concentrations at each temperature, and the temperature sensitivity of the kinetic parameters was modeled over the six temperatures using linear Arrhenius/Q10 and non-linear Macromolecular Rate Theory (MMRT) models. The dataset includes the fully processed enzyme activity rate data used to model Michaelis-Menten kinetics, calculated kinetic and temperature sensitivity parameters, and basic soil and microbial biomass chemistry for each sample. All data is provided for each individual biological replicate, and kinetic and temperature sensitivity parameters are also provided as means of the biological replicates. The dataset also includes all raw measurement data and code used to parse, combine and perform the analyses described by Alves et al. (2021). For file descriptions, see the file-level metadata files: “enzymes_dataProcessed_flmd.xlsx” (processed data); “enzymes_dataRaw_flmd.xlsx” (compressed raw data and metadata); and “enzymes_code_flmd.xlsx” (compressed code). The experimental design, list of parameters measured, soil and microbial biomass chemistry data, and means of biological replicates for kinetic and temperature sensitivity parameters are also provided as human-readable tables in file “enzymeTraits_design_results_tables.xlsx”.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Tunable Topological Phonon for Next-generation Quantum Transduction

This project aims to understand the critical factors that determine transduction performance of topological phonons across an oxide perovskite/tungsten diselenide heterojunction. We will investigate mechanisms of their propagation and interfacial coupling using modeling and machine learning approaches. Methods include density functional theory, molecular dynamics, numerical transport simulations, and active learning for building up a training dataset for force field development.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2011

Software Development Standard Processes (SDSP)

A JPL-created set of standard processes is to be used throughout the lifecycle of software development. These SDSPs cover a range of activities, from management and engineering activities, to assurance and support activities. These processes must be applied to software tasks per a prescribed set of procedures. JPL s Software Quality Improvement Project is currently working at the behest of the JPL Software Process Owner to ensure that all applicable software tasks follow these procedures. The SDSPs are captured as a set of 22 standards in JPL s software process domain. They were developed in-house at JPL by a number of Subject Matter Experts (SMEs) residing primarily within the Engineering and Science Directorate, but also from the Business Operations Directorate and Safety and Mission Success Directorate. These practices include not only currently performed best practices, but also JPL-desired future practices in key thrust areas like software architecting and software reuse analysis. Additionally, these SDSPs conform to many standards and requirements to which JPL projects are beholden.

Lavin, Milton L.↗

DOE OSTI2020

Study of an Unrefined Humate Solution as a Possible Attenuation-based Remedy for Uranium Contamination in Acidic Groundwater - 20351

The Savannah River Site (SRS), joined the environmental cleanup program in 1981 after the Cold War, and was designated as a hazardous waste management facility. About 1.8 billion gallons of acid wastes were disposed into the F/H Area Seepage Basin that included many radionuclides and dissolved metals, resulting in highly contaminated groundwater plumes with pH of 3 - 5.5. The acidity of the plumes contributes to the mobility of several constituents of concern (COC) such as H-3, U-238, I-129, and Sr-90 for the F-Area plume and H-3, Sr-90 and mercury for the H-Area plume. An active treatment (pump-and-treat and re-injection) system was constructed and put in place in 1997 to address the removal of metals and radionuclides from the contaminated groundwater. As remediation projects advanced, active treatments were transitioned to more passive or enhanced-passive approaches such as the subsurface barrier with base injection system, which has been controlling the mobility of contaminants. However, new and more efficient attenuation-based remedies are always sought. Several studies have proposed that humic substances can be used to remediate sites contaminated with heavy metals by creating a permeable reactive barrier. Humic substances (HS) are major components of soil organic matter. HS are polyfunctional organic macromolecules formed by the chemo-microbiological decomposition of biomass or dead organic matter. These substances are usually divided into three main fractions: humin (insoluble at all pH values), humic acid (soluble at pH greater than 3.5), and fulvic acid (soluble at all pH values). Humic substances are major components of the soil at SRS and, in addition, are also helpful in the removal process of uranium. This research focuses on uranium (VI), which is a key contaminant of concern in the F-Area groundwater plume. The interaction of uranium with sediment in the presence or absence of humic substances involves complex mechanisms that are not yet well understood. The interaction of U(VI) with humic substances can affect the adsorption of U on sediment, altering its mobility in the subsurface. The objective of this study is to study the mobility of uranium in the presence of humic acid and to determine if sediments amended by humic acid can enhance the sorption of heavy metals onto sediments. In this research, experiments were conducted using background (clean) F-Area aquifer sediments to understand and predict uranium mobility. A blended material, humate, containing both humic and fulvic acids and a chemically modified humate (KW15 modified humic or mod-HA) was studied as a possible amendment for uranium remediation in SRS groundwater. Batch experiments were conducted in triplicates using 20 ml of aqueous suspension in DI water containing SRS sediment and mod-HA and studied the effect of pH, kinetics of humate sorption onto SRS sediment and also studied the sorption of uranium onto mod-HA amended SRS sediment. Results indicate that mod-HA amended sediment increases uranium removal significantly. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Iridium Incorporation into MnO 2 for an Enhanced Electrocatalytic Oxygen Evolution Reaction

Here, we have investigated the structure and activity of electrocatalysts for the oxygen evolution reaction (OER) that had low loadings of Ir incorporated into the 2D layered MnO 2 , (birnessite, nominally δ-MnO 2 ) and the 3D MnO 2 (pyrolusite, β-MnO 2 ). The Ir-incorporated β-MnO 2 (Ir/β-MnO 2 ) electrocatalysts were prepared for the first time via a thermally induced phase transition of δ-MnO 2 containing 16-22 wt% Ir. This phase transition of δ-MnO 2 to β-MnO 2 was facilitated by the presence of Ir in the structure, as both Ir in IrO 2 and Mn in β-MnO 2 could adopt a thermodynamically favored rutile structure. Extended X-ray absorption fine structure (EXAFS) of Ir/β-MnO 2 showed that the catalyst consisted of Ir substituted into the crystalline β-MnO 2 lattice. 22 wt% Ir/β-MnO 2 (60 μg Ir cm $\ ^{-2}_{geo}$) exhibited an OER overpotential (η) of 337 mV, lower than the η for commercial IrO 2 . This η was constant for 6 h, at 10 mA cm $\ ^{-2}_{geo}$ in 0.5 M H 2 SO 4 . EXAFS, high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and X-ray absorption near edge structure (XANES) showed that 22 wt% Ir/β-MnO 2 had a strained structure containing ~41% Mn 3+ , an OER active species, along with a modified Ir bond covalency consisting of both Ir-O-Ir and Ir-O-Mn.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Thermodynamics of high-pressure ice phases explored with atomistic simulations

Most experimentally known high-pressure ice phases have a body-centred cubic (bcc) oxygen lattice. Our large-scale molecular-dynamics simulations with a machine-learning potential indicate that, amongst these bcc ice phases, ices VII, VII' and X are the same thermodynamic phase under different conditions, whereas superionic ice VII" has a first-order phase boundary with ice VII'. Moreover, at about 300 GPa, the transformation between ice X and the Pbcm phase has a sharp structural change but no apparent activation barrier, whilst at higher pressures the barrier gradually increases. Our study thus clarifies the phase behaviour of the high-pressure ices and reveals peculiar solid–solid transition mechanisms not known in other systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗