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

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Periodic Gamma-Ray Modulation of the Blazar PG 1553+113 Confirmed by Fermi-LAT and Multiwavelength Observations

A 2.1 yr periodic oscillation of the gamma-ray flux from the blazar PG 1553+113 has previously been tentatively identified in ∼7 yr of data from the Fermi Large Area Telescope. After 15 yr of Fermi sky-survey observations, doubling the total time range, we report >7 cycle gamma-ray modulation with an estimated significance of 4σ against stochastic red noise. Independent determinations of oscillation period and phase in the earlier and the new data are in close agreement (chance probability <0.01). Pulse timing over the full light curve is also consistent with a coherent periodicity. Multiwavelength new data from Swift X-Ray Telescope, Burst Alert Telescope, and UVOT, and from KAIT, Catalina Sky Survey, All-Sky Automated Survey for Supernovae, and Owens Valley Radio Observatory ground-based observatories as well as archival Rossi X-Ray Timing Explorer satellite-All Sky Monitor data, published optical data of Tuorla, and optical historical Harvard plates data are included in our work. Optical and radio light curves show clear correlations with the gamma-ray modulation, possibly with a nonconstant time lag for the radio flux. We interpret the gamma-ray periodicity as possibly arising from a pulsational accretion flow in a sub-parsec binary supermassive black hole system of elevated mass ratio, with orbital modulation of the supplied material and energy in the jet. Other astrophysical scenarios introduced include instabilities, disk and jet precession, rotation or nutation, and perturbations by massive stars or intermediate-mass black holes in polar orbit.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Mountain waves can impact wind power generation

Abstract. Mountains can modify the weather downstream of the terrain. In particular, when stably stratified air ascends a mountain barrier, buoyancy perturbations develop. These perturbations can trigger mountain waves downstream of the mountains that can reach deep into the atmospheric boundary layer where wind turbines operate. Several such cases of mountain waves occurred during the Second Wind Forecast Improvement Project (WFIP2) in the Columbia River basin in the lee of the Cascade Range bounding the states of Washington and Oregon in the Pacific Northwest of the United States. Signals from the mountain waves appear in boundary layer sodar and lidar observations as well as in nacelle wind speeds and power observations from wind plants. Weather Research and Forecasting (WRF) model simulations also produce mountain waves and are compared to satellite, lidar, and sodar observations. Simulated mountain wave wavelengths and wave propagation speeds (group velocities) are analyzed using the fast Fourier transform. We found that not all mountain waves exhibit the same speed and conclude that the speed of propagation, magnitudes of wind speeds, or wavelengths are important parameters for forecasters to recognize the risk for mountain waves and associated large drops or surges in power. When analyzing wind farm power output and nacelle wind speeds, we found that even small oscillations in wind speed caused by mountain waves can induce oscillations between full-rated power of a wind farm and half of the power output, depending on the position of the mountain wave's crests and troughs. For the wind plant analyzed in this paper, mountain-wave-induced fluctuations translate to approximately 11 % of the total wind farm output being influenced by mountain waves. Oscillations in measured wind speeds agree well with WRF simulations in timing and magnitude. We conclude that mountain waves can impact wind turbine and wind farm power output and, therefore, should be considered in complex terrain when designing, building, and forecasting for wind farms.

17 WIND ENERGY↗
DOE OSTI2020

Cross-correlation of Planck CMB lensing with DESI-like LRGs

ABSTRACT Cross-correlations between the lensing of the cosmic microwave background (CMB) and other tracers of large-scale structure provide a unique way to reconstruct the growth of dark matter, break degeneracies between cosmology and galaxy physics, and test theories of modified gravity. We detect a cross-correlation between Dark Energy Spectroscopic Instrument (DESI)-like luminous red galaxies (LRGs) selected from DECam Legacy Survey imaging and CMB lensing maps reconstructed with the Planck satellite at a significance of S/N = 27.2 over scales ℓmin = 30, ℓmax = 1000. To correct for magnification bias, we determine the slope of the LRG cumulative magnitude function at the faint limit as s = 0.999 ± 0.015, and find corresponding corrections of the order of a few per cent for $C^{\kappa g}_{\ell }, C^{gg}_{\ell }$ across the scales of interest. We fit the large-scale galaxy bias at the effective redshift of the cross-correlation zeff ≈ 0.68 using two different bias evolution agnostic models: a HaloFit times linear bias model where the bias evolution is folded into the clustering-based estimation of the redshift kernel, and a Lagrangian perturbation theory model of the clustering evaluated at zeff. We also determine the error on the bias from uncertainty in the redshift distribution; within this error, the two methods show excellent agreement with each other and with DESI survey expectations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Global Methane Budget 2000–2020

Abstract. Understanding and quantifying the global methane (CH4) budget is important for assessing realistic pathways to mitigate climate change. CH4 is the second most important human-influenced greenhouse gas in terms of climate forcing after carbon dioxide (CO2), and both emissions and atmospheric concentrations of CH4 have continued to increase since 2007 after a temporary pause. The relative importance of CH4 emissions compared to those of CO2 for temperature change is related to its shorter atmospheric lifetime, stronger radiative effect, and acceleration in atmospheric growth rate over the past decade, the causes of which are still debated. Two major challenges in quantifying the factors responsible for the observed atmospheric growth rate arise from diverse, geographically overlapping CH4 sources and from the uncertain magnitude and temporal change in the destruction of CH4 by short-lived and highly variable hydroxyl radicals (OH). To address these challenges, we have established a consortium of multidisciplinary scientists under the umbrella of the Global Carbon Project to improve, synthesise, and update the global CH4 budget regularly and to stimulate new research on the methane cycle. Following Saunois et al. (2016, 2020), we present here the third version of the living review paper dedicated to the decadal CH4 budget, integrating results of top-down CH4 emission estimates (based on in situ and Greenhouse Gases Observing SATellite (GOSAT) atmospheric observations and an ensemble of atmospheric inverse-model results) and bottom-up estimates (based on process-based models for estimating land surface emissions and atmospheric chemistry, inventories of anthropogenic emissions, and data-driven extrapolations). We present a budget for the most recent 2010–2019 calendar decade (the latest period for which full data sets are available), for the previous decade of 2000–2009 and for the year 2020. The revision of the bottom-up budget in this 2025 edition benefits from important progress in estimating inland freshwater emissions, with better counting of emissions from lakes and ponds, reservoirs, and streams and rivers. This budget also reduces double counting across freshwater and wetland emissions and, for the first time, includes an estimate of the potential double counting that may exist (average of 23 Tg CH4 yr−1). Bottom-up approaches show that the combined wetland and inland freshwater emissions average 248 [159–369] Tg CH4 yr−1 for the 2010–2019 decade. Natural fluxes are perturbed by human activities through climate, eutrophication, and land use. In this budget, we also estimate, for the first time, this anthropogenic component contributing to wetland and inland freshwater emissions. Newly available gridded products also allowed us to derive an almost complete latitudinal and regional budget based on bottom-up approaches. For the 2010–2019 decade, global CH4 emissions are estimated by atmospheric inversions (top-down) to be 575 Tg CH4 yr−1 (range 553–586, corresponding to the minimum and maximum estimates of the model ensemble). Of this amount, 369 Tg CH4 yr−1 or ∼ 65 % is attributed to direct anthropogenic sources in the fossil, agriculture, and waste and anthropogenic biomass burning (range 350–391 Tg CH4 yr−1 or 63 %–68 %). For the 2000–2009 period, the atmospheric inversions give a slightly lower total emission than for 2010–2019, by 32 Tg CH4 yr−1 (range 9–40). The 2020 emission rate is the highest of the period and reaches 608 Tg CH4 yr−1 (range 581–627), which is 12 % higher than the average emissions in the 2000s. Since 2012, global direct anthropogenic CH4 emission trends have been tracking scenarios that assume no or minimal climate mitigation policies proposed by the Intergovernmental Panel on Climate Change (shared socio-economic pathways SSP5 and SSP3). Bottom-up methods suggest 16 % (94 Tg CH4 yr−1) larger global emissions (669 Tg CH4 yr−1, range 512–849) than top-down inversion methods for the 2010–2019 period. The discrepancy between the bottom-up and the top-down budgets has been greatly reduced compared to the previous differences (167 and 156 Tg CH4 yr−1 in Saunois et al. (2016, 2020) respectively), and for the first time uncertainties in bottom-up and top-down budgets overlap. Although differences have been reduced between inversions and bottom-up, the most important source of uncertainty in the global CH4 budget is still attributable to natural emissions, especially those from wetlands and inland freshwaters. The tropospheric loss of methane, as the main contributor to methane lifetime, has been estimated at 563 [510–663] Tg CH4 yr−1 based on chemistry–climate models. These values are slightly larger than for 2000–2009 due to the impact of the rise in atmospheric methane and remaining large uncertainty (∼ 25 %). The total sink of CH4 is estimated at 633 [507–796] Tg CH4 yr−1 by the bottom-up approaches and at 554 [550–567] Tg CH4 yr−1 by top-down approaches. However, most of the top-down models use the same OH distribution, which introduces less uncertainty to the global budget than is likely justified. For 2010–2019, agriculture and waste contributed an estimated 228 [213–242] Tg CH4 yr−1 in the top-down budget and 211 [195–231] Tg CH4 yr−1 in the bottom-up budget. Fossil fuel emissions contributed 115 [100–124] Tg CH4 yr−1 in the top-down budget and 120 [117–125] Tg CH4 yr−1 in the bottom-up budget. Biomass and biofuel burning contributed 27 [26–27] Tg CH4 yr−1 in the top-down budget and 28 [21–39] Tg CH4 yr−1 in the bottom-up budget. We identify five major priorities for improving the CH4 budget: (i) producing a global, high-resolution map of water-saturated soils and inundated areas emitting CH4 based on a robust classification of different types of emitting ecosystems; (ii) further development of process-based models for inland-water emissions; (iii) intensification of CH4 observations at local (e.g. FLUXNET-CH4 measurements, urban-scale monitoring, satellite imagery with pointing capabilities) to regional scales (surface networks and global remote sensing measurements from satellites) to constrain both bottom-up models and atmospheric inversions; (iv) improvements of transport models and the representation of photochemical sinks in top-down inversions; and (v) integration of 3D variational inversion systems using isotopic and/or co-emitted species such as ethane as well as information in the bottom-up inventories on anthropogenic super-emitters detected by remote sensing (mainly oil and gas sector but also coal, agriculture, and landfills) to improve source partitioning. The data presented here can be downloaded from https://doi.org/10.18160/GKQ9-2RHT (Martinez et al., 2024).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

JWST lensed quasar dark matter survey – II. Strongest gravitational lensing limit on the dark matter free streaming length to date

This is the second in a series of papers in which we use JWST Mid Infrared Instrument multiband imaging to measure the warm dust emission in a sample of 31 multiply imaged quasars, to be used as a probe of the particle nature of dark matter. We present measurements of the relative magnifications of the strongly lensed warm dust emission in a sample of nine systems. The warm dust region is compact and sensitive to perturbations by populations of haloes down to masses $\sim 10^6$ M$_{\odot }$. Using these warm dust flux-ratio measurements in combination with five previous narrow-line flux-ratio measurements, we constrain the halo mass function. In our model, we allow for complex deflector macromodels with flexible third- and fourth-order multipole deviations from ellipticity, and we introduce an improved model of the tidal evolution of subhaloes. We constrain a WDM model and find an upper limit on the half-mode mass of $10^{7.6}\, {\rm M}_\odot$ at posterior odds of 10:1. This corresponds to a lower limit on a thermally produced dark matter particle mass of 6.1 keV. This is the strongest gravitational lensing constraint to date, and comparable to those from independent probes such as the Ly $\alpha$ forest and Milky Way satellite galaxies.

dark matter↗
DOE OSTI2021

Bounds on Velocity-dependent Dark Matter–Proton Scattering from Milky Way Satellite Abundance

We use the latest measurements of the Milky Way satellite population from the Dark Energy Survey and Pan-STARRS1 to infer the most stringent astrophysical bound to date on velocity-dependent interactions between dark matter particles and protons. We model the momentum-transfer cross section as a power law of the relative particle velocity v with a free normalizing amplitude, σ MT = σ 0 v n , to broadly capture the interactions arising within the nonrelativistic effective theory of dark matter–proton scattering. The scattering leads to a momentum and heat transfer between the baryon and dark matter fluids in the early universe, ultimately erasing structure on small physical scales and reducing the abundance of low-mass halos that host dwarf galaxies today. From the consistency of observations with the cold collisionless dark matter paradigm, using a new method that relies on the most robust predictions of the linear perturbation theory, we infer an upper limit on σ0 of 1.4 × 10 -23 , 2.1 × 10 -19 , and 1.0 × 10 -12 cm 2 , for interaction models with n = 2, 4, and 6, respectively, for a dark matter particle mass of 10 MeV. These results improve observational limits on dark matter–proton scattering by orders of magnitude and thus provide an important guide for viable sub-GeV dark matter candidates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene

Organic molecular crystals are expected to feature appreciable electron-phonon interactions that influence their electronic properties at zero and finite temperature. Here, we report first-principles calculations and an analysis of the electron-phonon self-energy in naphthalene crystals. We compute the zero-point renormalization and temperature dependence of the fundamental band gap, and the resulting scattering lifetimes of electronic states near the valence- and conduction-band edges employing density functional theory. Further, our calculated phonon renormalization of the GW-corrected quasiparticle band structure predicts a fundamental band gap of 5 eV for naphthalene at room temperature, in good agreement with experiments. From our calculated phonon-induced electron lifetimes, we obtain the temperature-dependent mobilities of electrons and holes in good agreement with experimental measurements at room temperature. Finally, we show that an approximate energy self-consistent computational scheme for the electron-phonon self-energy leads to the prediction of strong satellite bands in the electronic band structure. We find that a single calculation of the self-energy can reproduce the self-consistent results of the band gap renormalization and electrical mobilities for naphthalene, provided that the on-the-mass-shell approximation is used, i.e., if the self-energy is evaluated at the bare eigenvalues.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Earth System Model Aerosol–Cloud Diagnostics (ESMAC Diags) package, version 2: assessing aerosols, clouds, and aerosol–cloud interactions via field campaign and long-term observations

Abstract. Poor representations of aerosols, clouds, and aerosol–cloud interactions (ACIs) in Earth system models (ESMs) have long been the largest uncertainties in predicting global climate change. Huge efforts have been made to improve the representation of these processes in ESMs, and the key to these efforts is the evaluation of ESM simulations with observations. Most well-established ESM diagnostics packages focus on the climatological features; however, they lack process-level understanding and representations of aerosols, clouds, and ACIs. In this study, we developed the Earth System Model Aerosol–Cloud Diagnostics (ESMAC Diags) package to facilitate the routine evaluation of aerosols, clouds, and ACIs simulated the Energy Exascale Earth System Model (E3SM) from the US Department of Energy (DOE). This paper documents its version 2 functionality (ESMAC Diags v2), which has substantial updates compared with version 1 (Tang et al., 2022a). The simulated aerosol and cloud properties have been extensively compared with in situ and remote-sensing measurements from aircraft, ship, surface, and satellite platforms in ESMAC Diags v2. It currently includes six field campaigns and two permanent sites covering four geographical regions: the eastern North Atlantic, the central US, the northeastern Pacific, and the Southern Ocean. These regions produce frequent liquid- or mixed-phase clouds, with extensive measurements available from the DOE Atmospheric Radiation Measurement user facility and other agencies. ESMAC Diags v2 generates various types of single-variable and multivariable diagnostics, including percentiles, histograms, joint histograms, and heatmaps, to evaluate the model representation of aerosols, clouds, and ACIs. Select examples highlighting the capabilities of ESMAC Diags are shown using E3SM version 2 (E3SMv2). In general, E3SMv2 can reasonably reproduce many observed aerosol and cloud properties, with biases in some variables such as aerosol particle and cloud droplet sizes and number concentrations. The coupling of aerosol and cloud number concentrations may be too strong in E3SMv2, possibly indicating a bias in processes that control aerosol activation. Furthermore, the liquid water path response to a perturbed cloud droplet number concentration behaves differently in E3SMv2 and observations, which warrants further study to improve the cloud microphysics parameterizations in E3SMv2.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Enhanced Carbon Flux Response to Atmospheric Aridity and Water Storage Deficit During the 2015–2016 El Niño Compromised Carbon Balance Recovery in Tropical South America

During the 2015–2016 El Niño, the Amazon basin released almost one gigaton of carbon (GtC) into the atmosphere due to extreme temperatures and drought. The link between the drought impact and recovery of the total carbon pools and its biogeochemical drivers is still unknown. With satellite-constrained net carbon exchange and its component fluxes including gross primary production and fire emissions, we show that the total carbon loss caused by the 2015–2016 El Niño had not recovered by the end of 2018. Forest ecosystems over the Northeastern (NE) Amazon suffered a cumulative total carbon loss of ~0.6 GtC through December 2018, driven primarily by a suppression of photosynthesis whereas southeastern savannah carbon loss was driven in part by fire. We attribute the slow recovery to the unexpected large carbon loss caused by the severe atmospheric aridity coupled with a water storage deficit during drought. We show the attenuation of carbon uptake is three times higher than expected from the pre-drought sensitivity to atmospheric aridity and ground water supply. Our study fills an important knowledge gap in our understanding of the unexpectedly enhanced response of carbon fluxes to atmospheric aridity and water storage deficit and its impact on regional post-drought recovery as a function of the vegetation types and climate perturbations. Our results suggest that the disproportionate impact of water supply and demand could compromise resiliency of the Amazonian carbon balance to future increases in extreme events.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

High-redshift millennium and astrid galaxies in effective field theory at the field level

Effective field theory (EFT) modeling is expected to be a useful tool in the era of future higher-redshift galaxy surveys such as DESI-II and Spec-S5 due to its robust description of various large-scale structure tracers. However, large values of EFT bias parameters of higher-redshift galaxies could jeopardize the convergence of the perturbative expansion. Here, in this paper we measure the bias parameters and other EFT coefficients from samples of two types of star-forming galaxies in the state-of-the-art MilleniumTNG and astrid hydrodynamical simulations. Our measurements are based on the field-level EFT forward model that allows for precision EFT parameter measurements by virtue of cosmic variance cancellation. Specifically, we consider approximately representative samples of Lyman-break galaxies (LBGs) and Lyman-𝛼 emitters (LAEs) that are consistent with the observed (angular) clustering and number density of these galaxies at 𝑧 = 3. Reproducing the linear biases and number densities observed from existing LAE and LBG data, we find quadratic bias parameters that are roughly consistent with those predicted from the halo model coupled with a simple halo occupation distribution model. We also find nonperturbative velocity contributions (fingers of God) of a similar size for LBGs to the familiar case of luminous red galaxies. However, these contributions are quite small for LAEs despite their large satellite fraction values of up to ∼ 30%. Our results indicate that the effective momentum reach 𝑘 max at 𝑧 = 3 for LAEs (LBGs) will be in the range 0.3−0.6⁢ℎ Mpc −1 (0.2−0.8⁢ℎ Mpc −1 ), suggesting that EFT will perform well for high-redshift galaxy clustering. This work provides the first step toward obtaining realistic simulation-based priors on EFT parameters for LAEs and LBGs.

Sullivan, James M. [Massachusetts Inst. of Technol↗
DOE OSTI2026

Final report: Insights from ARM observations into aerosol processing and transport by extratropical cyclones and aerosol effects on cyclone clouds

This project advanced understanding of aerosol–cloud interactions in extratropical cyclones using observations from the Atmospheric Radiation Measurement (ARM) Eastern North Atlantic (ENA) observatory and ACE-ENA field campaigns, along with satellite datasets and numerical modeling. We have quantified the susceptibility of frontal clouds to aerosols, showing that this susceptibility is similar to that in non-frontal clouds despite substantial (factor 2) differences in droplet concentrations between these cloud types, and also significant differences in cloud albedo. A key finding was that Aitken-mode (here, 60-100nm diameter) aerosols play a disproportionately important role in droplet activation in frontal clouds, and concentrations of these particles are frequently strongly biased in climate models. Activation of aerosols depends strongly on updraft speeds, and via collaboration with Argonne National Laboratory we contributed to quantifying these better with the ARM radar wind profiler at the ENA site. Our studies in the North Atlantic have analogs in the Southern Ocean, and to draw these out we examined data from the MARCUS and SOCRATES field campaigns. We identified new particle formation within extratropical cyclones as a potentially important source of cloud condensation nuclei in these pristine marine environments. By combining ARM observations with perturbed parameter ensemble simulations, we demonstrated that surface observations can effectively constrain aerosol–cloud adjustments and reduce uncertainty in simulated cloud liquid water path responses by approximately 15%, yielding stronger constraints on historical aerosol cooling effects. The work further established precipitation processes as a dominant control on aerosol–cloud interactions and Earth system predictability.

Gordon, Hamish [Department of Chemical Engineering↗
DOE OSTI2021

Evaluating the Lagrangian Evolution of Subtropical Low Clouds in GCMs Using Observations: Mean Evolution, Time Scales, and Responses to Predictors

In this work, a Lagrangian framework is developed to show the daily-scale time evolution of low clouds over the eastern subtropical oceans. An identical framework is applied to two general circulation models (GCMs): the CAM5 and UKMET and a set of satellite observations. This approach follows thousands of parcels as they advect downwind in the subtropical trade winds, comparing cloud evolution in time and space. This study tracks cloud cover, in-cloud liquid water path (CLWP), droplet concentration $N_d$, planetary boundary layer (PBL) depth, and rain rate as clouds transition from regions with predominately stratiform clouds to regions containing mostly trade cumulus. The two models generate fewer clouds with greater $N_d$ relative to observations. Models show stronger Lagrangian cloud cover decline and greater PBL deepening when compared with observations. In comparing frequency distributions of cloud variables over time, it is seen that models generate increasing frequencies of nearly clear conditions at the expense of overcast conditions, whereas observations show transitions from overcast to cloud amounts between 50% and 90%. Lagrangian decorrelation time scales ($\mathcal{e}$-folding time $\tau$) of cloud cover and CLWP are between 11 and 19 h for models and observations, although they are a bit shorter for models. A Lagrangian framework applied here resolves and compares the time evolution of cloud systems as they adjust to environmental perturbations in models and observations. Increasing subsidence in the overlying troposphere leads to declining cloud cover, CLWP, PBL depth, and rain rates in models and observations. Modeled cloud responses to other meteorological variables are less consistent with observations, suggesting a need for continuing mechanical improvements in GCMs.

58 GEOSCIENCES↗
DOE OSTI2023

Kinematic and thermal signatures of the directly imaged protoplanet candidate around Elias 2−24

We report kinematic and thermal signatures associated with the directly imaged protoplanet candidate in the Elias 2–24 disc. Using the DSHARP (Disc Substructures at High Angular Resolution Project) ALMA (Atacama Large Millimetre/submillimetre Array) observations of the 12 CO J = 2 − 1 line, we show that the disc kinematics are perturbed, with a detached CO emission spot at the location of the planet candidate and traces of spiral wakes, and also that the observed CO emission intensities require local heating. While the foreground extinction hides the velocity channels associated with the planet, preventing a planet mass estimate, the level of gas heating implied by the CO emission indicates the presence of a warm, embedded giant planet. Comparison with models shows that this could either be a ≳5 M Jup or a lower mass (≳2 M Jup ) but accreting protoplanet.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Using CESM-RESFire to understand climate–fire–ecosystem interactions and the implications for decadal climate variability

Large wildfires exert strong disturbance on regional and global climate systems and ecosystems by perturbing radiative forcing as well as the carbon and water balance between the atmosphere and land surface, while short- and long-term variations in fire weather, terrestrial ecosystems, and human activity modulate fire intensity and reshape fire regimes. The complex climate–fire–ecosystem interactions were not fully integrated in previous climate model studies, and the resulting effects on the projections of future climate change are not well understood. Here we use the fully interactive REgion-Specific ecosystem feedback Fire model (RESFire) that was developed in the Community Earth System Model (CESM) to investigate these interactions and their impacts on climate systems and fire activity. We designed two sets of decadal simulations using CESM-RESFire for present-day (2001–2010) and future (2051–2060) scenarios, respectively, and conducted a series of sensitivity experiments to assess the effects of individual feedback pathways among climate, fire, and ecosystems. Our implementation of RESFire, which includes online land–atmosphere coupling of fire emissions and fire-induced land cover change (LCC), reproduces the observed aerosol optical depth (AOD) from space-based Moderate Resolution Imaging Spectroradiometer (MODIS) satellite products and ground-based AErosol RObotic NETwork (AERONET) data; it agrees well with carbon budget benchmarks from previous studies. We estimate the global averaged net radiative effect of both fire aerosols and fire-induced LCC at –0.59±0.52 W m –2 , which is dominated by fire aerosol–cloud interactions (–0.82±0.19 W m –2 ), in the present-day scenario under climatological conditions of the 2000s. The fire-related net cooling effect increases by ~170 % to –1.60±0.27 W m –2 in the 2050s under the conditions of the Representative Concentration Pathway 4.5 (RCP4.5) scenario. Such considerably enhanced radiative effect is attributed to the largely increased global burned area (+19 %) and fire carbon emissions (+100 %) from the 2000s to the 2050s driven by climate change. The net ecosystem exchange (NEE) of carbon between the land and atmosphere components in the simulations increases by 33 % accordingly, implying that biomass burning is an increasing carbon source at short-term timescales in the future. High-latitude regions with prevalent peatlands would be more vulnerable to increased fire threats due to climate change, and the increase in fire aerosols could counter the projected decrease in anthropogenic aerosols due to air pollution control policies in many regions. We also evaluate two distinct feedback mechanisms that are associated with fire aerosols and fire-induced LCC, respectively. On a global scale, the first mechanism imposes positive feedbacks to fire activity through enhanced droughts with suppressed precipitation by fire aerosol–cloud interactions, while the second one manifests as negative feedbacks due to reduced fuel loads by fire consumption and post-fire tree mortality and recovery processes. These two feedback pathways with opposite effects compete at regional to global scales and increase the complexity of climate–fire–ecosystem interactions and their climatic impacts.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Linear point and sound horizon as purely geometric standard rulers

The baryon acoustic oscillations feature (BAO) imprinted in the clustering correlation function is known to furnish us cosmic distance determinations that are independent of the cosmological-background model and the primordial perturbation parameters. These measurements can be accomplished rigorously by means of the purely geometric BAO methods. To date two different purely geometric BAO approaches have been proposed. The first exploits the linear-point standard ruler. The second, called correlation-function model-fitting, exploits the sound-horizon standard ruler. A key difference between them is that, when estimated from clustering data, the linear point makes use of a cosmological-model-independent procedure to extract the ratio of the ruler to the cosmic distance, while the correlation-function model-fitting relies on a phenomenological cosmological model for the correlation function. Nevertheless the two rulers need to be precisely defined independently of any specific observable (e.g., the BAO). We define the linear point and sound horizon and we fully characterize and compare the two rulers’ cosmological-parameter dependence. We find that they are both geometrical (i.e., independent of the primordial cosmological parameters) within the required accuracy, and that they have the same parameter dependence for a wide range of parameter values. We estimate the rulers’ best-fit values and errors, given the cosmological constraints obtained by the Planck Satellite team from their measurements of the cosmic microwave background temperature and polarization anisotropies. We do this for three different cosmological models encompassed by the purely geometric BAO methods. In each case we find that the relative errors of the two rulers coincide and they are insensitive to the assumed cosmological model. Interestingly both the linear point and the sound horizon shift by 0.5σ when we do not fix the spatial geometry to be flat in Λ CDM. Finally, this points toward a sensitivity of the rulers to different cosmological models when they are estimated from the cosmic microwave background.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

CoSn-type NiIn1–xSbx (0 ≤ x ≤ 0.17): Site-Selective Substitution, Electronic Structure, Chemical Bonding, and Structural Transformation

CoSn-type intermetallic compounds have emerged as a model platform for Kagome-derived flat-band physics, where subtle chemical perturbations can strongly influence electronic structure and phase stability. Here, we present a combined experimental and theoretical study of Sb-substitution in CoSn-type NiIn1–xSbx (0 ≤ x ≤ 0.17) to elucidate the interplay between site selectivity, solubility limit, chemical bonding, and electronic structure. Rietveld refinements on Neutron powder diffraction data confirmed the selective Sb-substitution at the electron-rich In2 (2d) site forming the honeycomb substructure, while the In1 (1a) site within the Kagome layer remains exclusively occupied by In. Density functional theory (DFT) calculations revealed that pristine CoSn-type NiIn hosts Ni 3d-dominated flat bands near the Fermi level (EF), originating from the Kagome-like Ni substructure. Partial replacement of In by Sb within the honeycomb layer alters these flat-band features below EF, reducing the density of states and suppressing the flat-band topology near the Fermi level. Orbital-resolved electronic structure and chemical-bonding analyses show that Sb-substitution enhances Ni-p-block (In/Sb) covalency and optimizes charge compensation, stabilizing the CoSn-type structure up to the solubility limit x ≈ 0.17. Beyond the limit, the higher-Sb compositions show satellite reflections consistent with an incommensurately modulated phase. These results establish a link between site-selective chemical substitution, bonding optimization, and flat-band electronic structure evolution, providing fundamental insights into how chemical substitution influences the electronic properties of Kagome-based intermetallic compounds.

Roy, Nilanjan [National Institute of Technology Si↗
DOE OSTI2023

S 5 : Probing the Milky Way and Magellanic Clouds potentials with the 6D map of the Orphan–Chenab stream

We present a 6D map of the Orphan–Chenab (OC) stream by combining the data from Southern Stellar Stream Spectroscopic Survey (S 5 ) and Gaia. We reconstruct the proper motion, radial velocity, distance, on-sky track, and stellar density along the stream with spline models. The stream has a total luminosity of M V = -8.2 and metallicity of [Fe/H] = -1.9, similar to classical Milky Way (MW) satellites like Draco. The stream shows drastic changes in its physical width varying from 200 pc to 1kpc, but a constant line-of-sight velocity dispersion of 5 km s -1 . Despite the large apparent variation in the stellar number density along the stream, the flow rate of stars along the stream is remarkably constant. We model the 6D stream track by a Lagrange-point stripping method with a flexible MW potential in the presence of a moving extended Large Magellanic Cloud (LMC). This allows us to constrain the mass profile of the MW within the distance range 15.6 < r < 55∙5 kpc, with the best measured enclosed mass of (2.85 ± 0.1) X 10 11 M ⊙ within 32.4 kpc. Our stream measurements are highly sensitive to the LMC mass profile with the most precise measurement of its enclosed mass made at 32.8 kpc, 7.02 ± 0.9) X 10 11 M ⊙ . We also detect that the LMC dark matter halo extends to at least 53 kpc. The fitting of the OC stream allows us to constrain the past LMC trajectory and the degree of dynamical friction it experienced. We demonstrate that the stars in the OC stream show large energy and angular momentum spreads caused by LMC perturbation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Neutrons in Structural Biology: Challenges and Opportunities (Workshop Report)

Gaining a thorough understanding of biological systems requires building our knowledge about biological processes from the level of atoms and electrons, and up to whole organisms. Such comprehensive knowledge will allow for a predictive understanding of complex biological systems behavior. It will guide us in the design and development of novel therapeutics and vaccines to tackle existing health threats and to prepare for future pandemics, and it will provide information necessary to create new biomaterials and bio-inspired technologies through manipulation of biological macromolecules, their assemblies, single cells and even microorganisms. Reaching these goals will require a synergistic combination of multiple experimental techniques with molecular calculations and predictive simulations, and the design and development of new techniques and capabilities that bridge current knowledge and technology gaps. Neutron scattering provides unique information about the biomacromolecular structure and function and can play a major role in achieving these goals. A workshop was held to engage the scientific community in identifying pressing challenges in biochemistry, structural biology, enzymology and structure-guided drug design not solved with the current neutron scattering technologies or utilizing other structural biology techniques such as X-ray crystallography, NMR, and cryo-EM. The workshop brought together structural biology, biochemistry and computational experts, as well as early career researchers and students, creating a forum for discussing scientific advancement and collaboration. The workshop included a one-day satellite training workshop where graduate students and postdoctoral researchers were educated in the application of neutron crystallography and small-angle scattering in structural biology. Furthermore, the Instrument Scientific Advisory Board (ISAB) for the development of a macromolecular neutron diffractometer at ORNL’s Second Target Station was introduced at the workshop. The major outcome was that neutrons can provide atomic-level understanding of biomacromolecular structure, function and dynamics which is of paramount importance for addressing the identified challenges. Neutron crystallography, in particular, can resolve long-standing biochemical issues regarding enzyme function by delineating the underlying chemistry and can have a major impact on the design of small-molecule therapeutics, especially in combination with molecular computation (quantum chemistry and molecular dynamics simulations) and the emerging artificial intelligence (AI)-assisted drug design technologies. The unique properties of neutrons, including their high sensitivity to hydrogen and their non-destructive nature, make them ideal probes of biological matter. There is a palpable need in the scientific community to expand and enhance the impact of neutron sciences on biology. Neutron crystallography is the only structural biology method capable of determining positions of all hydrogen atoms in proteins, nucleic acids and their complexes at near-physiological temperatures and of unstable species at cryogenic temperatures. Moreover, neutron analysis is non-ionizing, non-destructive and does not perturb the structure or redox chemistry of active site metal centers and clusters in proteins, which can be invaluable for studying radiation-sensitive metalloprotein complexes. Further, neutron energies used in scattering applications are similar to atomic motions, permitting neutron spectroscopies to characterize the dynamics of biomacromolecules on the picosecond to microsecond timescales. The different sensitivities of neutrons to protium (H) and deuterium (D) isotopes of hydrogen allow enhanced visibility of specific parts of biological complexes through isotopic labeling. The impact of neutrons will be most powerful when neutron scattering is combined with complementary experimental techniques that use photons and electrons, and with high-performance computing. The interconnection and mutuality of the experimental and theoretical capabilities will drive discoveries in biological and health sciences to generate more complete picture of complex biological systems. The major limitation in the field of biological neutron crystallography has been signal-to-noise, demanding large samples that are difficult to produce for the majority of biomacromolecules and limiting the applicability of this technique in biological sciences. A neutron crystallography instrument at the Second Target Station will revolutionize biological science with neutrons by engaging a large scientific community of structural biologists, enabling successful neutron diffraction experiments from radically smaller biomacromolecular crystals, resolving unanswered biochemical questions, and meaningfully contributing to rational drug design. The meeting highlighted 10 grand challenges that will be addressed with this advanced capability over the next decade and beyond, and the recommendations required to help address them are given below.

59 BASIC BIOLOGICAL SCIENCES↗