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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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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Mechanism of ion pairing–induced co-ion penetration into the stern layer

In classical electric double layer (EDL) theory, co-ions—ions carrying the same charge as the electrode—are assumed to be excluded from the Stern layer because of electrostatic repulsion. However, ion pairing with adsorbed counterions may enable co-ions to access the EDL, a phenomenon that remains underexplored. Key questions therefore remain unresolved, including how deeply co-ions penetrate, how ion-specific properties govern them, and how ion pairing within the EDL differs from bulk solution. Here, in this study, we employ molecular dynamics simulations combined with well-tempered metadynamics to quantify co-ion penetration and ion-pairing thermodynamics at positively charged Mg-Al layered double hydroxide interfaces (σ = +20.6 μC/cm 2 ) in aqueous chloride electrolytes across 0.005–3 M range. We reveal a concentration-driven crossover: at dilute conditions, counterion–co-ion contact ion pairing (CIP) is thermodynamically unfavorable or only weakly favorable (ΔG CIP = +0.12 kcal/mol for Li + to −0.42 kcal/mol for K + ), leading to co-ion exclusion. As concentration increases (≥0.5 M), enhanced screening reduces surface repulsion and stabilizes CIP thermodynamics (ΔG CIP = −0.89 kcal/mol for Li + to −1.05 kcal/mol for K + at 3 M), enabling monovalent co-ions to penetrate the Stern layer following the hydration hierarchy K + > Na + > Li + , while divalent co-ions (Mg 2+ , Ca 2+ ) remain in the diffuse layer, forming only solvent-separated pairs. Comparison with bulk solution shows interfacial ion pairing is suppressed at low concentrations but converges to bulk-like thermodynamics at high concentrations, indicating surface effects vanish under strong screening. These results establish a quantitative framework linking ion-pairing thermodynamics to co-ion penetration and providing strategies to design electrochemical interfaces.

Co-ion penetration↗
DOE OSTI2025

The Cosmic Evolution of C IV Absorbers at 1.4 < z < 4.5: Insights from 100,000 Systems in DESI Quasars

We present the largest catalog to date of triply ionized carbon (C IV ) absorbers detected in quasar spectra from the Dark Energy Spectroscopic Instrument. Using an automated matched-kernel convolution method with adaptive signal-to-noise thresholds, we identify 101,487 C IV systems in the redshift range 1.4 < z < 4.5 from 300,637 quasar spectra. Completeness is estimated via Monte Carlo simulations, and the catalog is 50% complete at EW C IV ≥ 0.4 Å. The differential equivalent width frequency distribution declines exponentially and shows weak redshift evolution. The absorber incidence per unit comoving path increases by a factor of 2–5 from z ≈ 4.5 to z ≈ 1.4, with stronger redshift evolution for strong systems. Using column densities derived from the apparent optical depth method, we constrain the cosmic mass density of C IV , Ω C IV , which increases by a factor of ∼3.8 from (0.82 ± 0.05) × 10 −8 at z ≈ 4.5 to (3.16 ± 0.2) × 10 −8 at z ≈ 1.4. From Ω C IV , we estimate a lower limit on intergalactic medium metallicity ${\mathrm{log}}({Z}_{{\rm{IGM}}}/{Z}_{\odot })\gtrsim -3.25$ at z ∼ 2.3, with a smooth decline at higher redshifts. These trends trace the cosmic star formation history and He II photoheating rate, suggesting a link between C IV enrichment, star formation, and UV background over ∼3 Gyr. The catalog also provides a critical resource for future studies connecting circumgalactic metals to galaxy evolution, especially near cosmic noon.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Indirect climate impacts of the Hunga eruption

Injection of sulfur and water vapour by the Hunga volcanic eruption significantly altered chemical composition and radiative budget of the stratosphere. Yet, whether the eruption could also affect surface climate, especially via indirect pathways, remains poorly understood. Here we investigate these effects using large ensembles of simulations with the CESM2(WACCM6) Earth system model, incorporating interactive chemistry and aerosols in both coupled ocean and atmosphere-only configurations. We find some statistically significant extratropical regional climate responses to the eruption driven by circulation changes; these are partially linked to the modulation of El Niño–Southern Oscillation, and its associated teleconnections, and to perturbations of the stratospheric polar vortex in both hemispheres. The stratospheric anomalies affect surface climate through modulating the North Atlantic Oscillation in the Northern Hemisphere (up to three boreal winters following the eruption) and the Southern Annular Mode in the Southern Hemisphere in late 2023. The latter is partly related to a concurrent reduction in Antarctic ozone, as increased stratospheric aerosols and water vapor reach the polar vortex. Our study suggests that the eruption could have had a non-negligible influence on regional surface climate, and discusses the mechanisms via which such an influence could occur. However, the results also highlight that this forcing is relatively weak compared to interannual variability, and is subject to model uncertainties in the representation of key processes. More research is thus needed before definitive statements on the role of the eruption in contributing to surface climate and weather events in the following years are made.

Geosciences↗
DOE OSTI2022

Carbon acquisition ecological strategies to connect soil microbial biodiversity and carbon cycling

Soil carbon feedbacks to global change are uncertain, and the biological processes that govern soil organic matter decomposition are not resolved in current ecosystem models. Though it is recognized that microbial biodiversity influences decomposition rates, incorporating this relationship into ecosystem models is challenging because microbial communities are prohibitively diverse. It is likely necessary to distill microbial biodiversity by focusing on functional groups or ecological strategies. The ecological strategies that currently dominate the microbial ecology literature derive from macroecological theory, have clear weaknesses, and have had limited success when applied to predict soil carbon dynamics. Here, we present a new framework for soil microorganisms: Carbon Acquisition Ecological Strategies (CAES), and we outline a path toward incorporating microbial biodiversity into ecosystem models using this framework to enhance predictions of soil carbon feedbacks to global change. Because a microorganism's diet is central to its ecological niche and likely to covary with other ecologically significant traits, we posit that carbon acquisition may serve as a tractable foundation for developing ecological strategies. Further, we describe four candidate ecological strategies for soil microorganisms: 1° decomposers that assimilate complex plant polymers, 2° decomposers that assimilate microbial necromass, passive consumers that assimilate dissolved organic carbon, and predatory microbes that assimilate live microbial biomass. These strategies are directly linked to soil carbon pools currently represented in ecosystem models and may provide a foundation for greater integration of microbial community dynamics into ecosystem models.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Exchange-biased quantum tunnelling of magnetization in a [Mn 3 ] 2 dimer of single-molecule magnets with rare ferromagnetic inter-Mn 3 coupling

A covalently-linked dimer of two single-molecule magnets (SMMs), [Mn 6 O(O 2 CMe) 6 (1,3-ppmd) 3 ](ClO 4 ) 2 , has been synthesized from the reaction of [Mn 3 O(O 2 CMe) 6 (py) 3 ](ClO 4 ) with 1,3-phenylene-bis(pyridin-2-ylmethanone) dioxime (1,3-ppmdH 2 ). It contains two [Mn III 3 O] +7 triangular units linked by three 1,3-ppmd 2 - groups into an [Mn 3 ] 2 dimer with D 3 symmetry. Solid-state dc and ac magnetic susceptibility measurements showed that each Mn 3 subunit retains its properties as an SMM with an S = 6 ground state. Magnetization vs. dc field sweeps on a single crystal reveal hysteresis loops below 1.3 K exhibiting exchange-biased quantum tunnelling of magnetization (QTM) steps with a bias field of +0.06 T. This is the first example of a dimer of SMMs showing a positive exchange bias of the QTM steps in the hysteresis loops, and it has therefore been subjected to a detailed analysis. Simulation of the loops determines that each Mn3 unit is exchange-coupled with its neighbour primarily through the 1,3-ppmd 2 - linkers, confirming a weak ferromagnetic inter-Mn 3 interaction of J 12 ≈ +6.5 mK ($\hat{H}= -2J\hat{S}_i·\hat{S}_j$ convention). High-frequency EPR studies of a microcrystalline powder sample enable accurate determination of the zero-field splitting parameters of the uncoupled Mn3 SMMs, while also confirming the weak exchange interaction between the two SMMs within each [Mn 3 ] 2 dimer. The combined results emphasize the ability of designed covalent linkers to generate inter-SMM coupling of a particular sign and relative magnitude, and thus the ability of such linkers to modulate the quantum physics. As such, this article supports the feasibility of using designed covalent linkers to develop molecular oligomers of SMMs, or other magnetic molecules, as multi-qubit systems and/or other components of new quantum technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Applying the Risk Management Framework: The Distributed Energy Resource Risk Manager

As part of a multiyear effort, the National Renewable Energy Laboratory (NREL) has dedicated resources to understand and identify cybersecurity weaknesses in distributed energy resources (DERs) by performing assessments. Due to a lack of standardization and rapidly increasing adoption of DERs, there is a critical need to address cybersecurity needs for DER systems in an interactive way. Furthermore, federal agencies, which are required to obtain an authority to operate, are challenged by the complexities of including their DERs. To help meet this need, in early 2020, NREL released the Distributed Energy Resources Cybersecurity Framework (DERCF) and accompanying Web application. This process is supported by the Risk Management Framework (RMF) developed by the National Institute of Standards and Technology. This project, referred to as the DERCF RMF application, expands on the existing DERCF work to include methods that support walking a user through the seven RMF steps. The tool will be available for download at no cost from [link ]. The purpose of this paper is to describe the steps the DERCF team at NREL took to understand Steps 1-5 of the RMF process. Additionally, this document will identify future work on the first five steps as well as a plan for Steps 6 and 7.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Low predictability of energy balance traits and leaf temperature metrics in desert, montane and alpine plant communities

Abstract Leaf energy balance may influence plant performance and community composition. While biophysical theory can link leaf energy balance to many traits and environment variables, predicting leaf temperature and key driver traits with incomplete parameterizations remains challenging. Predicting thermal offsets ( δ , T leaf − T air difference) or thermal coupling strengths ( β , T leaf vs. T air slope) is challenging. We ask: (a) whether environmental gradients predict variation in energy balance traits (absorptance, leaf angle, stomatal distribution, maximum stomatal conductance, leaf area, leaf height); (b) whether commonly measured leaf functional traits (dry matter content, mass per area, nitrogen fraction, δ 13 C, height above ground) predict energy balance traits; and (c) how traits and environmental variables predict δ and β among species. We address these questions with diurnal measurements of 41 species co‐occurring along a 1,100 m elevation gradient spanning desert to alpine biomes. We show that (a) energy balance traits are only weakly associated with environmental gradients and (b) are not well predicted by common functional traits. We also show that (c) δ and β can be partially approximated using interactions among site environment and traits, with a much larger role for environment than traits. The heterogeneity in leaf temperature metrics and energy balance traits challenges larger‐scale predictive models of plant performance under environmental change. A free Plain Language Summary can be found within the Supporting Information of this article.

Blonder, Benjamin↗
DOE OSTI2020

Potential Vorticity Mixing in a Tangled Magnetic Field

A theory of potential vorticity (PV) mixing in a disordered (tangled) magnetic field is introduced. The analysis is in the context of β -plane MHD, with a special focus on the physics of momentum transport in the stably stratified, quasi-2D solar tachocline. A physical picture of mean PV evolution by vorticity advection and tilting of magnetic fields is proposed. In the case of weak field perturbations, quasi-linear theory predicts that the Reynolds and magnetic stresses balance as turbulence Alfvénizes for a larger mean magnetic field. Jet formation is explored quantitatively in the mean field–resistivity parameter space. However, since even a modest mean magnetic field leads to large magnetic perturbations for large magnetic Reynolds number, the physically relevant case is that of a strong but disordered field. We show that numerical calculations indicate that the Reynolds stress is modified well before Alfvénization—i.e., before fluid and magnetic energies balance. To understand these trends, a double-average model of PV mixing in a stochastic magnetic field is developed. Calculations indicate that mean-square fields strongly modify Reynolds stress phase coherence and also induce a magnetic drag on zonal flows. The physics of transport reduction by tangled fields is elucidated and linked to the related quench of turbulent resistivity. We propose here a physical picture of the system as a resisto-elastic medium threaded by a tangled magnetic network. Applications of the theory to momentum transport in the tachocline and other systems are discussed in detail.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Intense windstorms in the northeastern United States

Abstract. Windstorms are a major natural hazard in many countries. The objective of this study is to identify and characterize intense windstorms during the last 4 decades in the US Northeast and determine both the sources of cyclones responsible for these events and the manner in which those cyclones differ from the cyclone climatology. The windstorm detection is based on the spatial extent of locally extreme wind speeds at 100 m height from the ERA5 reanalysis database. During the top 10 windstorms, wind speeds exceed their local 99.9th percentile over at least one-third of land-based ERA5 grid cells in this high-population-density region of the USA. Maximum sustained wind speeds at 100 m during these windstorms range from 26 to over 43 ms−1, with wind speed return periods exceeding 6.5 to 106 years (considering the top 5 % of grid cells during each storm). Property damage associated with these storms, with inflation adjusted to January 2020, ranges from USD 24 million to over USD 29 billion. Two of these windstorms are linked to decaying tropical cyclones, three are Alberta clippers, and the remaining storms are Colorado lows. Two of the 10 re-intensified off the east coast, leading to development of nor'easters. These windstorms followed frequently observed cyclone tracks but exhibit maximum intensities as measured using 700 hPa relative vorticity and mean sea level pressure that is 5–10 times the mean values for cyclones that followed similar tracks over this 40-year period. The time evolution of wind speeds and concurrent precipitation for those windstorms that occurred after the year 2000 exhibit good agreement with in situ ground-based and remote sensing observations, plus storm damage reports, indicating that the ERA5 reanalysis data have a high degree of fidelity for large, damaging windstorms such as these. A larger pool of the top 50 largest windstorms exhibit evidence of only weak serial clustering, which is in contrast to the relatively strong serial clustering of windstorms in Europe.

58 GEOSCIENCES↗
DOE OSTI2025

Origin of Intrinsically Low Thermal Conductivity in a Garnet-Type Solid Electrolyte: Linking Lattice and Ionic Dynamics with Thermal Transport

Understanding thermal transport in solid electrolytes is essential for improving the performance, reliability, and safety of all-solid-state batteries. Garnet-type lithium-ion conductors are promising candidates for solid electrolytes, yet their thermal-transport mechanisms remain poorly understood. Here, we connect the lattice and ion dynamics of single-crystal garnet-type Li 6.5 La 3 Zr 1.5 Ta 0.5 O 12 to its intrinsically low thermal conductivity. Our study reveals that the single crystals grown by the floating-zone method exhibit remarkably low glasslike thermal conductivity. Using first-principles calculations and inelastic-neutron-scattering measurements, we identify both the acoustic and numerous optical phonon modes, which stem from the complex crystal structure of the material. Notably, a low-energy optical branch exhibits an avoided crossing with acoustic phonons near 7 meV. These optical modes can enhance the scattering of heat-carrying acoustic phonons and reduce thermal conductivity. Furthermore, the calculated Grüneisen parameters are large, especially for the vibrational modes around 6 meV, indicating strong anharmonicity, with a noticeable contribution from lithium-ion vibrations. A two-channel thermal-transport model is employed to describe the weak temperature dependence of the thermal conductivity, which can be attributed to the substantial contribution of diffuson transport facilitated by the abundance of optical phonons and intrinsic anharmonicity. These results offer valuable insights into the thermal transport in a broad class of ionic conductors of interest for energy conversion and storage applications.

Ab initio calculations↗
DOE OSTI2023

Mapping brucellosis risk in Kenya and its implications for control strategies in sub-Saharan Africa

In Sub-Saharan Africa (SSA), effective brucellosis control is limited, in part, by the lack of long-term commitments by governments to control the disease and the absence of reliable national human and livestock population-based data to inform policies. Therefore, we conducted a study to establish the national prevalence and develop a risk map for Brucella spp. in cattle to contribute to plans to eliminate the disease in Kenya by the year 2040. We randomly generated 268 geolocations and distributed them across Kenya, proportionate to the area of each of the five agroecological zones and the associated cattle population. Cattle herds closest to each selected geolocation were identified for sampling. Up to 25 cattle were sampled per geolocation and a semi-structured questionnaire was administered to their owners. We tested 6,593 cattle samples for Brucella immunoglobulin G (IgG) antibodies using an Enzyme-linked immunosorbent assay (ELISA). We assessed potential risk factors and performed spatial analyses and prevalence mapping using approximate Bayesian inference implemented via the integrated nested Laplace approximation (INLA) method. The national Brucella spp. prevalence was 6.8% (95% CI: 6.2–7.4%). Exposure levels varied significantly between agro-ecological zones, with a high of 8.5% in the very arid zone with the lowest agricultural potential relative to a low of 0.0% in the agro-alpine zone with the highest agricultural potential. Additionally, seroprevalence increased with herd size, and the odds of seropositivity were significantly higher for females and adult animals than for males or calves. Similarly, animals with a history of abortion, or with multiple reproductive syndromes had higher seropositivity than those without. At the herd level, the risk of Brucella spp. transmission was higher in larger herds, and herds with a history of reproductive problems such as abortion, giving birth to weak calves, or having swollen testes. Geographic localities with high Brucella seroprevalence occurred in northern, eastern, and southern regions of Kenya all primarily characterized by semi-arid or arid agro-ecological zones dominated by livestock pastoralism interspersed with vast areas with mixed livestock-wildlife systems. The large spatial extent of our survey provides compelling evidence for the widespread geographical distribution of brucellosis risk across Kenya in a manner easily understandable for policymakers. Our findings can provide a basis for risk-stratified pilot studies aiming to investigate the cost-effectiveness and efficacy of singular and combined preventive intervention strategies that seek to inform Kenya’s Brucellosis Control Policy.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Linking Synoptic Patterns to Cloud Properties and Local Circulations Over Southeastern Texas

This report classifies meteorological regimes in the southeastern Texas region to identify environmental conditions that favor sea-breeze induced convection. The classification is accomplished using a Self-Organizing Map (SOM) approach. We applied SOM to 10 years of 700-hPa geopotential height anomalies during the summer months from reanalysis data to distinguish three dominant synoptic regimes, with a continuum of transitional states between those. The primary regimes include: (a) a pre-trough regime associated with a synoptic trough, (b) a post-trough regime with upper-level northerly flow, and (c) an anticyclonic regime within the westward extent of the Bermuda High. We project the data from the Geostationary Operational Environmental Satellite and the Next Generation Weather Radar system onto each SOM node to investigate the characteristics of cloud and precipitation properties in different regimes. When southeastern Texas is positioned to the southwest quadrant of a maritime high pressure system, an increased cloud frequency is observed over the region during the afternoon hours due to significant moisture advection. A confluence of synoptic southerly flow and sea-breeze circulation commonly occurs in this regime. When a high pressure system is over southeastern Texas, the area is dominated by large-scale subsidence with weak pressure gradients and moderate precipitable water vapor. This weak synoptic forcing is favorable for the formation of a sea-breeze circulation. This is confirmed by an enhanced onshore flow and a decreased temperature at the surface in the early afternoon, as well as a sharp increase in radar echo top height.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Effect of Molecular Conformation on Intermolecular Interactions and Photovoltaic Performances of Giant Molecule Acceptors

The molecular conformation of giant molecule acceptors (GMAs) plays a significant role in regulating the intermolecular interactions and their photovoltaic performances in organic solar cells (OSCs). For the linear GMA GT‐l, the stronger homo‐molecular interaction causes its aggregation being weakly affected by the donor, thus forming an ordered molecular stacking and proper phase separation in its blend film. The star‐shaped GMA GT‐s‐based blend film shows a dominant hetero‐molecular interaction that suppresses the aggregation of the donor and acceptor, resulting in smaller phase separation and more uniform vertical phase distribution. While for another star‐shaped GMA GTs, the weakest hetero‐molecular interaction causes its blend film to form larger phase separation. Therefore, the GT‐l based OSC with PM6 as donor shows the highest charge mobilities, the fastest charge transfer (CT) process, reduced energy loss and less charge recombination, contributing to a higher power conversion efficiency (PCE) of 19.03%. Comparatively, the PCEs of the OSCs based on GTs and GT‐s are 18.05% and 17.58% respectively. Notably, all the three GMAs based OSCs show excellent thermal stability and long‐term storage stability. This study provides a facile strategy by tuning the linking unit and its connecting mode for designing highly efficient and stable organic photovoltaic materials.

Chemistry↗
DOE OSTI2022

AlphaFold and Structural Mass Spectrometry Enable Interrogations on the Intrinsically Disordered Regions in Cyanobacterial Light-harvesting Complex Phycobilisome

Intrinsically disordered proteins/regions (IDPRs) are a very large and functionally important class of proteins that participate in weak multivalent interactions in protein complexes. They are recalcitrant for interrogations using X-ray crystallography and cryo-EM. The IDPRs observed at the interface of the photosynthetic pigment protein complexes (PPCs) remain much less clear, e.g., the major cyanobacterial light-harvesting complex (PBS) contains an unstructured PB-loop insertion in the phycocyanobilin domain (PB domain) of ApcE (the largest polypeptide in PBS). Here, a joint platform is built to probe such structural domains. This platform is characterized by two-round progressive justifications of in silico models by using the structural mass spectrometry data. First, the AlphaFold-generated 3D structure of the PB domain (containing PB-loop) was justified in the context of PBS. Second, docking the AlphaFold-generated ApcG (a ligand) into the first-step justified structure (a receptor). The final ligand-receptor complex was then subjected to a second-round justification, again, by using unequivocal isotopically-encoded cross-links identified in LC-MS/MS. This work reveals a full-length PB-loop structure modelled in the PBS basal cylinder, free from any spatial conflicts against the other subunits in PBS. The structure of PB domain highlights the close associations of the intrinsically disordered PB-loop with its binding partners in PBS, including ApcG, another IDPR. The PB-loop region involved in the binding of photosystem II (PSII) is also discussed in the context of excitation energy transfer regulation. Finally, this work calls attention to the highly disordered, yet interrogatable interface between the light-harvesting antenna complexes and the reaction centers.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

MUSE Analysis of Gas around Galaxies (MAGG) – IV. The gaseous environment of z ∼ 3–4 Ly α emitting galaxies

ABSTRACT We study the link between galaxies and H i-selected absorption systems at z ∼ 3–4 in the MUSE Analysis of Gas around Galaxies (MAGG) survey, an ESO large programme consisting of integral field spectroscopic observations of 28 quasar fields hosting 61 strong absorbers with $\rm N_{\rm H\,{\small I}}\gtrsim 10^{16.5}~\rm cm^{-2}$. We identify 127 Ly α emitting galaxies (LAEs) around the absorbers, corresponding to a detection rate of 82 ± 16 per cent. The luminosity function of these LAEs is ≈5 times higher in normalization than the field population and we detect a significant clustering of galaxies with respect to the gas, confirming that high column density absorbers and LAEs trace each other. Between 30 and 40 per cent of the absorbers are associated with multiple LAEs, which lie preferentially along filaments. Galaxies in groups also exhibit a three times higher covering factor of optically thick gas compared to isolated systems. No significant correlations are identified between the emission properties of LAEs and the absorption properties of optically thick gas clouds, except for a weak preference of brighter and multiple galaxies to reside near broad absorbers. Based on the measured impact parameters and the covering factor, we conclude that the near totality of optically thick gas in the Universe can be found in the outer circumgalactic medium (CGM) of LAEs or in the intergalactic medium (IGM) in proximity to these galaxies. Thus, LAEs act as tracers of larger scale structures within which both galaxies and optically thick clouds are embedded. The patchy and inhomogeneous nature of the CGM and IGM explains the lack of correlations between absorption and emission properties. This implies that very large samples are needed to unveil the trends that encode the properties of the baryon cycle.

Astronomy & Astrophysics↗
DOE OSTI2025

Return on Investment and Sustainability of HVDC Links: Role of Diagnostics, Condition Monitoring, and Material Innovations

HVDC cable systems are becoming an upscaled technical option, compared to AC, because of various factors, including easier interconnections, lower losses, and longer transmission distances. In addition, renewables providing direct DC energy, electrified transportation, and aerospace where DC can be favored because of higher carried specific power all point in the direction of broad future usage of HV and MV DC links. However, contrary to AC, there is little return from on-field installation as regards long-term cable reliability and aging processes. This gap must be covered by intensive research, and contributing to this research is the purpose of this paper. The focus is on key points for HVDC (and MVDC) cable reliability and sustainability, from design modeling able to account for voltage transients and extrinsic aging (such as that caused by partial discharges) to the impact of aging on insulation conductivity (which rules the electric field distribution, thus aging rate). Also, recyclable and nanostructured materials, as well as health conditions, are considered. It is shown how cable design can account for accelerated aging due to voltage transients, as well as for aging-time dependence of conductivity, and how design can be free of extrinsic aging caused by PDs. Algorithms for health condition evaluations, which have additional value in a relatively new technology such as HVDC polymeric cables, are applied to insulation system aging under partial discharges, showing how they can provide an indication of insulation degradation globally or locally (weak spots) and of possible maintenance times. All of this can effectively contribute to reducing the risk of major cable breakdown and damage under operation, which would significantly affect the return on investment (ROI).

Montanari, Gian Carlo (ORCID:0000000320258693)↗
DOE OSTI2020

Iron(III)–Oxo Cluster Chemistry with Dimethylarsinate Ligands: Structures, Magnetic Properties, and Computational Studies

A program has been initiated to develop Fe III /oxo cluster chemistry with the ‘pseudo-carboxylate’ ligand dimethylarsinate (Me 2 AsO 2 - ) for comparison with the well investigated Fe III /oxo/carboxylate cluster area. The synthesis and characterization of three polynuclear Fe III complexes are reported, [Fe 12 O 4 (O 2 C t Bu) 8 (O 2 AsMe 2 ) 17 (H 2 O) 3 ]Cl 3 (1), Na 2 [Fe 12 Na 2 O 4 (O 2 AsMe 2 ) 20 (NO 3 ) 6 (Me 2 AsO 2 H) 2 (H 2 O) 4 ](NO 3 ) 6 (2) and [Fe 3 (O 2 AsMe 2 ) 6 (Me 2 AsO 2 H) 2 (hqn) 2 ](NO 3 ) (3), where hqn is 8-hydroxyquinoline. The Fe 12 core of 1 is a type never previously encountered in Fe III carboxylate chemistry, consisting of two Fe 6 units each of which comprises two {Fe 3 (μ 3 -O 2- )} units bridged by three Me 2 AsO 2 - groups and linked into an Fe 12 loop structure by two anti-anti η 1 :η 1 :μ Me 2 AsO 2 - groups, a bridging mode extremely rare with carboxylates. 2 also consists of two Fe 6 units, differing in their ligation from those in 1, and this time linked together into a linear structure by a central {Na 2 (NO 3 ) 2 } bridging unit. 3 is a linear Fe 3 complex with no monoatomic bridges between Fe III ions, a very rare situation in Fe III chemistry with any ligands, and unprecedented in Fe carboxylate chemistry. The distinct differences observed in arsinate vs carboxylate ligation modes are rationalized largely based on the greater basicity of the former vs the latter. Variable-temperature dc and ac magnetic susceptibility data reveal all Fe 2 pairwise interactions to be antiferromagnetic. For 1 and 2, the different J ij couplings were estimated by use of a magnetostructural correlation for high nuclearity Fe III -oxo clusters and by density functional theory calculations using broken symmetry methods, allowing identification of their relative spin vector alignments and thus rationalization of their S = 0 ground states. The J ij values were then used as input values to give excellent fits of the experimental χM T vs T data. For 3, the fits of the experimental χM T vs T data to the Van Vleck equation or with PHI gave a very weak J 12 = -0.8(1) cm -1 (H = –2JŠ i ·Š j convention) between adjacent Fe III ions, and an S = 5/2 ground state. Furthermore, these initial Fe III arsinate complexes also provide structural parameters that help validate literature assignments of arsinate binding modes to iron oxide/hydroxide minerals as part of environmental concerns of using arsenic-containing herbicides in agriculture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Normalized Solar-Induced Fluorescence Responds Earlier Than Vegetation Indices to the 2019 North China Plain Drought

Recently, solar-induced chlorophyll fluorescence (SIF) from satellites has shown potential for evaluating vegetation status and stress responses. Fluorescence quantum yield ($Φ_F$) is essentially linked to vegetation stress. However, the complex physiological and structural responses of SIF and $Φ_F$ to drought need further study. This study normalized SIF as SIFn to account for angular variations and fluctuations in photosynthetically active radiation (PAR), aiming for more accurate drought monitoring. SIFn anomalies were compared to historical baselines (2019–2021 averages) of vegetation indices (VIs), raw SIF, and $Φ_F$ during a 2019 drought in the North China Plain (NCP). Here, the results show SIFn provides an effective method for drought monitoring, showing the earliest decline compared to raw SIF, VIs, and $Φ_F$. In the first two weeks of drought, SIFn decreased by 8.2%, 7.0%, 12.5%, and 8.2% across the four NCP subdivisions. SIFn outperformed other indicators, proving sensitive to early drought detection. SIFn was also examined for tracking drought alleviation by rainfall. The uncertainty under different viewing geometries was quantified. SIFn anomalies showed a strong correlation with rainfall anomalies (R: 0.45 ~ 0.52) and meteorological factors like PAR (R: 0.80 ~ 0.84) and relative humidity (R:0.52 ~ 0.54). The correlation of near-infrared reflectance (NIRv) and $Φ_F$ anomalies with SIF was weak during drought onset (R: 0.16 ~ 0.32) but strong at the end (R: 0.83 ~ 0.87). These suggest both canopy structure (mainly characterized by NIRv) and vegetation chlorophyll ($Φ_F$) are impacted by drought and influence SIF at different stages.

54 ENVIRONMENTAL SCIENCES↗