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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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16 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Assessment of Extinction‐, Satellite‐, and Model‐Based Vertical Cloud Condensation Nuclei (CCN) Retrieval Methods Using Airborne CCN Measurements Over the Southern Great Plains

Abstract Accurate estimates of the vertical profile of cloud condensation nuclei (CCN) concentration are crucial to better quantify aerosol‐cloud interactions. We assessed the correlation between the vertical CCN concentrations obtained from extinction‐, satellite‐, and model‐based retrieval methods and airborne CCN concentrations collected at 0.24% supersaturation within the 3, 9, 27, and 81 km regions centered over the U.S. Department of Energy's Atmospheric Radiation Measurement User Facility Southern Great Plains (SGP) site during the spring and summer of 2016. The extinction profiles at a wavelength 355 nm were provided by the ground‐based Raman lidar. Our analysis showed moderate correlation between dry‐corrected extinction and airborne CCN data. We found the retrieved number concentration of CCN (RNCCN) method showed regression best‐fit slopes close to unity and consistent prediction errors for the majority of the data. The Lenhardt et al. (2023, https://doi.org/10.5194/amt‐16‐2037‐2023 ) method showed similar conclusions but only during spring, whereas the Mamouri and Ansmann (2016, https://doi.org/10.5194/acp‐16‐5905‐2016 ) method showed poor correlation. The Shinozuka et al. (2015, https://doi.org/10.5194/acp‐15‐7585‐2015 ) satellite‐based method exhibited reasonable agreement during summer but poor correlation during periods where both high (∼1,400 #/cm 3 ) and low (∼50 #/cm 3 ) airborne CCN concentrations were observed. The Copernicus Atmosphere Monitoring Service reanalysis modeled 3‐D CCN data set showed a moderate to weak positive correlation but performed poorly at high airborne CCN concentrations. Our analysis suggests the extinction‐based RNCCN method performed better than other methods across most observation periods under the diverse meteorological conditions observed at the SGP site.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

The detection of marine microseismic activity with the CUORE tonne-scale cryogenic experiment

Vibrations from experimental setups and the environment are a persistent source of noise for low-temperature calorimeters searching for rare events, including neutrinoless double beta ( 0νββ ) decay or dark matter interactions. Such noise can significantly limit experimental sensitivity to the physics case under investigation. Here, we report the detection of marine microseismic vibrations using mK-scale calorimeters. This study employs a multi-device analysis correlating data from CUORE, the leading experiment in the search for 0νββ decay with mK-scale calorimeters, and the Copernicus Earth Observation program, revealing the seasonal impact of Mediterranean Sea activity on CUORE’s energy thresholds, resolution, and sensitivity over four years. The detection of marine microseisms underscores the need to address faint environmental noise in ultra-sensitive experiments. Understanding how such noise couples to the detector and developing mitigation strategies is essential for next-generation experiments. We demonstrate one such strategy: a noise decorrelation algorithm implemented in CUORE using auxiliary sensors, which reduces vibrational noise and improves detector performance. Enhancing sensitivity to 0νββ decay and to rare events with low-energy signatures requires identifying unresolved noise sources, advancing noise reduction methods, and improving vibration suppression systems, all of which inform the design of next-generation rare event experiments.

experimental nuclear physics↗
DOE OSTI2025

Towards provision of regularly updated climate data from the Coupled Model Intercomparison Project

The Coupled Model Intercomparison Project (CMIP) is a flagship of the World Climate Research Programme (WCRP). CMIP has become a recognised ‘brand’ in climate circles evolving over the last thirty years from a targeted research activity by a small number of climate modelling centres intercomparing their Earth System Model (ESM) simulations to a broad international coordinated research effort (Durack et al, 2025). CMIP is organized as a research activity leveraging funded and in-kind contributions from experts within modelling centres and the broader scientific community supported more recently by a fully-funded International Project Office. Within CMIP, Model Intercomparison Projects (MIPs) are community-designed to understand past, present and future climate. CMIP data provides a valuable resource for climate research and is routinely used to assess model representation of climate processes and test scientific hypotheses in the context of model uncertainty and (forced and internal) variability as evident from its prolific use in scientific publications1 . The impact relies on enabling infrastructure (most prominently via the Earth System Grid Federation (ESGF)), which allows sharing of simulation output, provision of the boundary conditions used in each simulation, and definition of the data standards that are essential to facilitating wide use of the data. The impact is supplemented by the wide-ranging scrutiny to which model simulations are subjected. Beyond its use in research, CMIP data is a key resource for communities producing derived climate information from downscaling and impact studies, such as the Coordinated Regional Downscaling Experiment (CORDEX; Gutowski et al., 2016) and the Intersectoral Impacts MIP (ISIMIP; Frieler et al., 2024). Government, academic and commercial entities also increasingly rely on CMIP and its downstream data for climate risk assessments and climate services (for example, Copernicus Climate Change Service and World Bank portal). This means that, although CMIP is a research activity, it increasingly serves a secondary and very relevant role as a provider of climate data – a long-recognised dichotomy (Stevens, 2024). Research and applications have distinct needs, with the former requiring flexibility and generality and the latter consistency. Here we explain how the design of the research activity has been adapted to reduce the burdens imposed by applications and how the research infrastructure might evolve to further enable scientific inquiry. We propose one possible approach to consistently providing model information and projections for applications in the future.

Environmental sciences↗
DOE OSTI2025

ERA5-Land Data for LASSO-CACTI Overview Paper

The European Centre for Medium-Range Weather Forecasts (ECMWF) generated a soil reanalysis dataset for the land component of the fifth generation of European ReAnalysis (ERA5), referred to as ERA5-Land. This is a model-generated dataset, with the original version available for the period 1950 to present. The version archived in this DOE ARM product is a subset of the data is for the period of the CACTI field campaign plus several preceding months, specifically from August 1, 2018 through March 22, 2019 with hourly intervals. The ARM copy is also a sub-region of the original global product; the ARM copy is for -60 to -5 °N by -105 to -30 °W. Only variables necessary to drive the WRF-Hydro model are included, which are the 2-m temperature and specific humidity, 10-m wind components, surface pressure, rain rate, and downward surface short and longwave radiation. These data have been obtained from the Copernicus Data Store.

10m wind u-component↗
DOE OSTI2025

Ultrafast Correlation Energy Estimator

A virtually no-cost method is proposed that can compute the correlation energies of general, covalently bonded, organic, and inorganic molecules (including conjugated π-electron systems) with a well-defined dominant Lewis structure at the accuracy of 99.5% of the near-exact values determined by the coupled-cluster singles, doubles, and perturbative triples [CCSD(T)] in the complete-basis-set (CBS) limit. This Correlation Energy Per Bond (CEPB) method assigns a partial correlation energy to each bond type (characterized by the identities of the two atoms forming the bond and its integer bond order) and to a lone pair, regardless of the bond length, bond angle, sp-hybridization, π-electron conjugation, ionicity, noncovalent interactions, etc. At its current stage, the method is mainly suitable for near-equilibrium geometries. The correlation energies per bond are determined by a fit to the CCSD(T)/CBS benchmarks. It can neither improve the equilibrium structures nor discern conformers or positional isomers, yet its accuracy for reaction energies rivals that of the second-order Møller–Plesset perturbation theory, which is far more expensive. Its promising performance underscores the possibility that surprisingly compact, chemically intuitive molecular fragments exist into which correlation energies can be partitioned, leading to various ultrafast correlation-energy estimators tailored to different purposes.

Binding energy↗
DOE OSTI2026

Sensitivity to low-mass WIMPs with an improved liquid argon ionization response model within the DarkSide program

Dark matter detection experiments using liquid argon rely on a precise characterization of the ionization response to nuclear recoils, especially in the keV energy range relevant for light dark matter interactions. In this work, we present a comprehensive analysis that combines new measurements from the ReD setup, part of the DarkSide experimental program, with calibration data from DarkSide-50, as well as results from the ARIS and SCENE experiments. These combined datasets enable improved constraints on atomic screening effects in the modeling of the ionization response of liquid argon to nuclear recoils. The analysis is performed within the Thomas-Imel recombination framework adopted in previous DarkSide studies, and is here further constrained by the inclusion of ReD data, which allow the screening function to be determined from calibration measurements. By including the updated ionization model into the DarkSide-50 analysis framework, we obtain stronger exclusion limits on low-mass weakly interacting massive particle (WIMP) interactions, setting new world-leading constraints in the 1 – 3 GeV / c 2 WIMP mass range. Finally, we recast the sensitivity projections for the upcoming DarkSide-20k detector, demonstrating a significantly enhanced discovery potential for low-mass dark matter candidates.

Acerbi, F. [Fond. Bruno Kessler, Trento]↗
DOE OSTI2025

Production, quality assurance and quality control of the SiPM Tiles for the DarkSide-20k Time Projection Chamber

The DarkSide-20k dark matter direct detection experiment will employ a 21 m 2 silicon photomultiplier (SiPM) array, instrumenting a dual-phase 50 tonnes liquid argon Time Projection Chamber (TPC). SiPMs are arranged into modular photosensors called Tiles, each integrating 24 SiPMs onto a printed circuit board (PCB) that provides signal amplification, power distribution, and a single-ended output for simplified readout. Tiles are further grouped into Photo-Detector Units (PDUs). This paper details the production of the Tiles and the Quality Assurance and Quality Control (QA-QC) protocol established to ensure their performance and uniformity. The production and QA-QC of the Tiles are carried out at Nuova Officina Assergi (NOA), an ISO-6 clean room facility at LNGS. This process includes wafer-level cryogenic characterisation, precision die attaching, wire bonding, and extensive electrical and optical validation of each Tile. The overall production yield exceeds 83.5%, matching the requirements of the DarkSide-20k production plan. These results validate the robustness of the Tile design and its suitability for operation in a cryogenic environment.

Acerbi, F. [Fondazione Bruno Kessler]↗
DOE OSTI2025

Characterization of spurious-electron signals in the double-phase argon TPC of the DarkSide-50 experiment

Spurious-electron signals in dual-phase noble-liquid time projection chambers have been observed in both xenon and argon Time Projection Chambers (TPCs). This paper presents the first comprehensive study of spurious electrons in argon, using data collected by the DarkSide-50 experiment at the INFN Laboratori Nazionali del Gran Sasso (LNGS). Understanding these events is a key factor in improving the sensitivity of low-mass dark matter searches exploiting ionization signals in dual-phase noble liquid TPCs. We find that a significant fraction of spurious-electron events, ranging from 30 to 70% across the experiment's lifetime, are caused by electrons captured from impurities and later released with delays of order 5-50 ms. The rate of spurious-electron events is found to correlate with the operational condition of the purification system and the total event rate in the detector. Finally, we present evidence that multi-electron spurious electron events may originate from photo-ionization of the steel grid used to define the electric fields. These observations indicate the possibility of reduction of the background in future experiments and hint at possible spurious electron production mechanisms.

Agnes, P. [GSSI, Aquila; Gran Sasso]↗
DOE OSTI2025

Performance of the spin-component-scaled methods for energy bands

The performance of various spin-component-scaled parameterisations is examined for the second-order many-body Green's-function [MBGF(2)] calculations of valence energy bands, taking three of the experimentally well-characterised polymers as examples: polyethylene, polytetrafluoroethylene, and polyacetylene. The parameterisations considered are Grimme's original SCS parameter set, Jung et al.'s original SOS set (retaining the opposite-spin component only), Śmiga et al.'s SCS(IP) set (calibrated specifically for ionization energies), and Śmiga et al.'s SOS(IP) set (calibrated for ionization energies with the opposite-spin component only; implicit in the os-D2 model of Opoku et al.). The SCS(IP) and SOS(IP) parameterisations are found to shift both outer and inner valence bands by up to a few electronvolts away from the experimental data. The original SCS and SOS parameter sets do not improve upon, but largely maintain the accuracy of the unscaled MBGF(2) methods. Given that the SOS-MBGF(2) method can be implemented in a quartic-scaling algorithm (for all roots), it is most promising for solid-state applications. Furthermore this observation is consistent with the success of the quartic-scaling GW methods without the vertex correction based on a density-functional theory reference.

Green’s-function theory↗
DOE OSTI2025

Binding and Translocation of Substrate Allosterically Promotes Functional Interactions Within the AlkB–AlkG Electron Transfer Complex

The alkane monooxygenase AlkB and rubredoxin AlkG form an electron transfer complex that hydroxylates terminal alkanes to produce alcohols. The recent cryoEM study of Fontimonas thermophila AlkB-AlkG complex revealed its architecture, including a dodecane (D12) substrate at the active site. However, FtAlkBG molecular mechanism of action of remains unknown. Here, in this study, we examined its dynamics and interactions by multiscale computations, including molecular dynamics simulations, elastic network models, and QM/MM of the oxygen activation mechanism at the AlkB catalytic site. D12 maintained stable interactions within the catalytic site during two MD runs, coordinated by hydrophobic residues L263-L264, I267, I133. A third extended run revealed that D12 could translocate to a membrane-exposed site near S49/F46 along a hydrophobic channel gated by I54. During this translocation, D12 was temporarily stabilized at intermediate sites IS1 (lined by I27/L30-G31/G50/L53-I54/P59/S124/A127-V128) and IS2 (I33-G34/L37/L45-F46/S49) before nearly exiting the protein, and diffused back to the active site, assisted by L30. Substrate binding and translocation across those intermediate sites affects the coupling between the iron centers in AlkBG, and interfacial interactions between AlkB-AlkG. The channel was further connected to the cytosol, near two surface-exposed arginines, potentially allowing for O 2 passage. The allosteric effects between D12 putative entry site, catalytic site and AlkB-AlkG interface were analyzed by ENM-based methods which confirmed the cooperative perturbation-responses and strongly correlated movements of residues belonging to those distal regions. Our study provides new mechanistic insights into key sites and their interactions that could be targeted for developing AlkB-variants with desirable alkane conversion functions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and Dynamics

The COLUMBUS program system provides the tools for performing high-level multireference (MR) computations, including the multireference configuration interaction (MRCI) method and its multireference averaged quadratic coupled cluster (MR-AQCC) extension, allowing computations on a wide range of fascinating atomic and molecular systems, including the treatment of open-shells and complicated excited state phenomena. The inclusion of spin−orbit coupling (SOC) directly within the MRCI step enables the description of systems containing heavy elements, such as lanthanides and actinides, whose properties are strongly influenced by SOC. Analytic energy gradients and nonadiabatic couplings at the correlated MRCI level provide the foundation for a variety of dynamics studies, giving insight into ultrafast photochemistry. New and ongoing method developments in COLUMBUS include the computation of spin densities, improved descriptions of ionic states, enhancements to the AQCC method, and the porting of COLUMBUS to graphical processing units (GPUs). New external interfaces enable an enhanced description of electronic resonances and molecules in strong laser fields. This work highlights these new developments while providing a detailed account of the diverse applications of COLUMBUS in recent years.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Advances in the photon avalanche luminescence of inorganic lanthanide-doped nanomaterials

Photon avalanche (PA)—where the absorption of a single photon initiates a ‘chain reaction’ of additional absorption and energy transfer events within a material—is a highly nonlinear optical process that results in upconverted light emission with an exceptionally steep dependence on the illumination intensity. Over 40 years following the first demonstration of photon avalanche emission in lanthanide-doped bulk crystals, PA emission has been achieved in nanometer-scale colloidal particles. The scaling of PA to nanomaterials has resulted in significant and rapid advances, such as luminescence imaging beyond the diffraction limit of light, optical thermometry and force sensing with (sub)micron spatial resolution, and all-optical data storage and processing. In this review, we discuss the fundamental principles underpinning PA and survey the studies leading to the development of nanoscale PA. Finally, we offer a perspective on how this knowledge can be used for the development of next-generation PA nanomaterials optimized for a broad range of applications, including mid-IR imaging, luminescence thermometry, (bio)sensing, optical data processing and nanophotonics.

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

Benchmarking the design of the cryogenics system for the underground argon in DarkSide-20k

DarkSide-20k (DS-20k) is a dark matter detection experimentunder construction at the Laboratori Nazionali del Gran Sasso (LNGS)in Italy. It utilises ∼ 100 t of low radioactivity argon from anunderground source (UAr) in its inner detector, with half serving astarget in a dual-phase time projection chamber (TPC). The UArcryogenics system must maintain stable thermodynamic conditionsthroughout the experiment's lifetime of over10 years. Continuous removal ofimpurities and radon from the UAr is essential for maximising signalyield and mitigating background. We are developing an efficient andpowerful cryogenics system with a gas purification loop with atarget circulation rate of1000 slpm. Central to itsdesign is a condenser operated with liquid nitrogen which is pairedwith a gas heat exchanger cascade, delivering a combined coolingpower of more than 8 kW. Here wepresent the design choices in view of the DS-20k requirements, inparticular the condenser's working principle and the coolingcontrol, and we show test results obtained with a dedicatedbenchmarking platform at CERN and LNGS. We find that the thermalefficiency of the recirculation loop, defined in terms of nitrogenconsumption per argon flow rate, is95 % and the pressure in the testcryostat can be maintained within±(0.1–0.2) mbar. Wefurther detail a 5-day cool-down procedure of the test cryostat,maintaining a cooling rate typically within-2 K/h, as required for theDS-20k inner detector. Additionally, we assess the circuit's flowresistance, and the heat transfer capabilities of two heat exchangergeometries for argon phase change, used to provide gas forrecirculation. We conclude by discussing how our findings influencethe finalisation of the system design, including necessarymodifications to meet requirements and ongoing testing activities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

First nuclear ultraheavy dark matter search in argon time projection chambers with the DarkSide-50 experiment

We report on the first search for nuclear ultraheavy dark matter (UHDM) in a dual-phase liquid argon time projection chamber using the DarkSide-50 experiment. Unlike conventional weakly interacting massive particles, a nuclear UHDM model may be composed of many dark nucleons and scatter numerous times while passing through the detector. Accounting for energy loss through the Earth’s overburden, we apply selection criteria optimized for multiscatter event topologies using the 532-day low-radiation campaign of the DarkSide-50 detector. Excluded limits on the UHDM-nucleon scattering cross section for dark nucleon masses of m χ = 10 , 50 , 100 , 500 GeV / c 2 are presented.

Agnes, P. [GSSI, Aquila; Gran Sasso]↗
DOE OSTI2025

Fermionic sub-GeV dark matter from evaporating primordial black holes at DarkSide-50

We present a search for boosted dark matter from primordial black hole (PBH) evaporation using the DarkSide-50 ionization-signal-only dataset corresponding to the experiment’s ( 12202 ± 180 ) kg d exposure. We focus on evaporation of PBHs with masses in the range [ 10 14 , 10 16 ] g producing Dirac fermionic dark matter particles with sub-GeV kinetic energy. These relativistic particles, with energies up to hundreds of MeV, can generate detectable signals for masses below O ( 100 ) MeV . The absence of a signal enables setting complementary limits to those derived from cosmological observations and direct detection searches for cosmic-ray-boosted dark matter.

Agnes, P. [Gran Sasso; GSSI, Aquila]↗
DOE OSTI2025

Quality assurance and quality control of the $26~\text {m}^2$ SiPM production for the DarkSide-20k dark matter experiment

DarkSide-20k is a novel liquid argon dark matter detector currently under construction at the Laboratori Nazionali del Gran Sasso (LNGS) of the Istituto Nazionale di Fisica Nucleare (INFN) that will push the sensitivity for Weakly Interacting Massive Particle (WIMP) detection into the neutrino fog. The core of the apparatus is a dual-phase Time Projection Chamber (TPC), filled with 50 tonnes of low radioactivity underground argon (UAr) acting as the WIMP target. NUV-HD-cryo Silicon Photomultipliers (SiPM)s designed by Fondazione Bruno Kessler (FBK) (Trento, Italy) were selected as the photon sensors covering two $10.5~\text {m}^2$ Optical Planes, one at each end of the TPC, and a total of $5~\text {m}^2$ photosensitive surface for the liquid argon veto detectors. This paper describes the Quality Assurance and Quality Control (QA/QC) plan and procedures accompanying the production of FBK NUV-HD-cryo SiPM wafers manufactured by LFoundry s.r.l. (Avezzano, AQ, Italy). SiPM characteristics are measured at 77 K at the wafer level with a custom-designed probe station. As of March 2025, 1314 of the 1400 production wafers (94% of the total) for DarkSide-20k were tested. The wafer yield is $93.2\pm 2.5$%, which exceeds the 80% specification defined in the original DarkSide-20k production plan.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗