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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Aerosol Vertical Profiling at Oliktok Point (AVPOP) Field Campaign Report

Aerosols are an important component of the atmospheric system through their various impacts on climate. Notably, the largest uncertainty of the energy budget (i.e., radiative forcing estimate) is the aerosol indirect effect. Aerosol-induced microphysical modifications influence cloud lifetime and albedo. However, constraining aerosol-cloud impacts in climate models, specifically in regions such as the Arctic, remains a significant challenge due to limited observations. The efficacy of an aerosol to impact the arctic energy budget largely depends on its concentration, composition, and source. While ground-based measurements will provide a consistent, high-resolution time series of aerosol observations, the arctic atmosphere can be stratified, and thus what is observed on the ground may not be representative of the aerosol aloft. A key gap in arctic aerosol research is routine vertical profiling of abundance and source characterization. Previous work outside of the Arctic has focused on using launched or tethered balloon systems (LBS and TBS, respectively) to measure vertical profiles of aerosol size distributions and has demonstrated the utility of such observations (e.g., Hofmann et al. 1989; Hofmann 1993; Iwasaka et al. 2003; Kim et al. 2003; Tobo et al. 2007). More specifically, particle spectrometers have also been deployed via TBS systems (de Boer et al. 2018; Greenberg et al. 2009; Maletto et al. 2003; Renard et al. 2016; Wehner et al. 2007; Siebert et al. 2004) affording information on aerosol layer locations and evolution by means of multiple profiles. Filter samples for post-processing of aerosol composition and ice nucleation properties have also been conducted in mid-latitudes (Creamean et al. 2018). However, while these studies present novel measurements of aerosol vertical profiling via balloon systems, few exist to date in the Arctic. The U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility TBS is composed of a variety of winches, balloons, and instrumentation that flies within ARM’s Restricted Airspace (R-2204) at the third ARM Mobile Facility (AMF3) at Oliktok Point, Alaska (Figure 1). The system payload comprises instruments that can simultaneously collect in situ data on horizontal winds, ice microphysics, turbulence, thermodynamic state, aerosols, and the cloud-top environment (https://www.arm.gov/capabilities/instruments/tbs). Recent campaigns at AMF3 have involved the use of the ARM helikite, which is a balloon-kite hybrid that uses lighter-than-air principles to obtain its initial lift and a kite to achieve stability and dynamic lift. Additional information on the specifications of the helikite TBS can be found in the ARM TBS handbook (Dexheimer 2018).

Oliktok Point, North Slope of Alaska,, tethered ba↗
DOE OSTI2025

Lipids represent a dynamic, yet stable pool of microbially-derived soil carbon

There is an emerging consensus that microorganisms are a primary source of persistent, slow-cycling soil organic matter (SOM), however which microbial residues contribute to SOM and what controls their accumulation remains unresolved. Lipids are a commonly overlooked biomolecular pool that could contribute significantly to stable SOM. While current estimates for phospholipid degradation in soils are rapid, lipids are structurally heterogeneous molecules that could turnover at different rates. Through a year-long soil incubation and compound-specific, stable isotope probing (SIP)-lipidomics, we were able to rigorously track the persistence of lipid compounds in silty and sandy switchgrass bioenergy crop soils. Here, we assessed the influence of lipid structure on soil lipid accrual and degradation as moderated by soil texture, since mineral association is presumed to be the primary mechanism for lipid persistence. After rapid incorporation of 13 C glucose into microbial biomass, we found 13 C label was retained broadly across chemically diverse lipid classes, even after one year. 13 C-labeled lipid profiles varied significantly with soil texture; however, we found no difference between sandy and silty soils in lipid retention, suggesting soil texture may only play a minor role in modulating lipid persistence. Only two lipid subclasses were found to be persistent (i.e., retention of 13 C label without significant degradation or production): phosphatidylinositol lipids and hydroxyceramide lipids, both of which are negatively charged, possibly facilitating stabilization by mineral complexation. However, several other subclasses displayed substantial ongoing production. In particular, the accumulation of triacylglycerol lipids across soil textures suggests that storage lipids may be an important component of SOC, highlighting a potential target for management strategies to promote C retention by lipid accrual. Overall, the retention for over a year of 13 C label in microbial intact lipid biomarkers reveals the importance of efficient biomass production and turnover when considering microbial C contributions to SOM.

compound-specific↗
DOE OSTI2025

In situ deformation of antigorite-olivine two-phase mixtures: Implications for dynamics and seismic anisotropy in the mantle wedge

Water released from hydrous minerals in subducting slabs reacts with the overlying plate, resulting in widespread serpentinization in the mantle wedge. Deformation of serpentinized peridotites has been invoked to explain forearc seismic anisotropy, yet studies of the mechanical properties and deformation behaviors of serpentine-bearing multiphase aggregates remain limited. Here we deformed olivine-antigorite mixtures containing 70, 50, and 20 vol.% of antigorite at 2.5 – 7.6 GPa, 673 K and strain rates of ∼10 –5 –10 –4 s –1 . Elasto-viscoplastic self-consistent simulations, constrained by synchrotron X-ray diffraction (XRD) data, were used to estimate lattice strain, stress–strain partitioning, crystallographic preferred orientations (CPO) development, and aggregate strength. Selected run products were also analyzed by electron backscatter diffraction for comparison with the CPO results obtained from XRD experiments. We found olivine transitions from A- or B-type to C-type when antigorite fraction drops to 20 vol.%, coinciding with a microstructural change from interconnected weak layers to a load-bearing framework (LBF). An additional run on a sample Atg50/Ol50 with preexisting microstructures suggested the formation of LBF was promoted by these microstructures, although the preexisting antigorite CPO has been overprinted at 20.8 % strain and could be erased completely by subsequent deformation in nature. Estimated viscosity of the two-phase mixtures suggests that low-degree serpentinization (≤20 %) in the mantle wedge may increase the strength of olivine-rich peridotite and hinder slab-mantle decoupling, whereas high-degree serpentinization (≥50–70 %) weakens the peridotite and favors decoupling if sufficient viscosity contrast (>10) develops. Seismic anisotropy shows a nonlinear dependence on antigorite fraction: antigorite CPO governs the anisotropy of the mixtures with ≥50 vol.% antigorite, whereas olivine CPO dominates at low fractions (∼20 vol.%). The presence of pre-existing microstructures reduces seismic anisotropy of the deformed mixtures, however the persistence of pre-existing CPO in actively subducting slabs remains uncertain, making their significance over geological timescales questionable.

Crystallographic preferred orientation↗
DOE OSTI2024

Timelike Compton Scattering from a longitudinally polarised target with CLAS12 at Jefferson Lab

Explorations into the internal dynamics of hadrons are constantly evolving, and the requirement for experimental results to verify theoretical models of hadron structure is paramount. A key area in this field is the study of Generalised Parton Distributions (GPDs), which are functions used to model the momenta of quarks and gluons within hadrons, and the methods to access GPDs experimentally. One such scattering process that allows access to these is Timelike Compton Scattering. TCS complements existing Deeply Virtual Compton Scattering experiments and allows investigation into the universality of GPDs through access to the real and imaginary parts of the parton helicity independent GPD Hq via beam spin asymmetries (BSA), and it provides novel access to the real and imaginary parts of the parton helicity dependent GPD ˜Hq through target polarisation asymmetries (TSA). This thesis work presents a comparative study with the first published BSA for TCS at the Thomas Jefferson National Accelerator Facility (JLab), alongside a first time extraction of a Target Spin Asymmetry with the Summer 2022 data taking run. JLab hosts the Continuous Electron Beam Accelerator Facility (CEBAF) which provides a 12 GeV electron beam to four experimental halls. Hall-B contains the CEBAF Large Acceptance Spectrometer, which took data across three run periods on a longitudinally polarised NH3 and ND3 fixed target from 2022-2023, to extract measurements of electron-proton scattering, from which a TCS signal could be extracted. The thesis discusses work done to understand and eliminate contributions from the non-/low-polarised nuclear background, testing pre-established cuts to eliminate pion background from a dilepton (e+e-) final state and modifying them as needed for the new experimental run, and attempts to hone in on a clean TCS signal from which to extract the two asymmetry observables. A comparison with existing BSA results was performed; however, the statistical errors are too large to draw a significant conclusion as to whether there is agreement across each bin. More data is needed for a multidimensionally binned extraction. A proof of principle was achieved in the TSA measurements, with two out of four kinematic bins showing preliminary agreement in shape with theoretical values. Again, the errors are significant due to the contributions from the nuclear background. To support these conclusions, a further study was done, which takes into account an estimate of the asymmetries with the full available dataset (this thesis is based only on data taken in the summer set; at the time of writing processing was still being conducted for the final two datasets), as well as an estimate including additional future experiment days that were awarded in July 2024. Additional work was done on a secondary project exploring the feasibility of measuring TCS at the upcoming Electron Ion Collider, supporting the design proposal for the detector for the first interaction region and giving a positive outlook for the future of these types of measurements beyond JLab.

Gates, Kayleigh [Univ. of Glasgow, Scotland (Unite↗
DOE OSTI2026

Synthesizing land use and demographic change in Southeast Asia’s smaller urbanized areas from 2000–2015

The majority of the human population now reside in urban areas today. The United Nations estimates that nearly half of all urban dwellers currently live in cities smaller than 500 000 persons and the majority of future urban growth will take place in Asia and Africa, likely in these smaller urban areas, not mega cities. Thus, understanding the factors that influence urban demographic trajectories in small urban areas is critical to address sustainable and equitable policy initiatives related to food security, changing climate hazard exposure, and economic opportunities. Here we focus on Southeast Asia—a region historically characterized by lower urban population proportions, yet with a rapidly shifting dynamic demographic—to examine correlates of demographic change among smaller cities. We combine two open-source satellite-informed datasets: GHS urban center database (2015) and age-sex gridded data from WorldPop to calculate socio-demographic characteristics to model drivers of change in annualized urban population growth from 2000–2015 for 505 urbanized places. We find a general pattern of decreasing dependency ratios as city-size increases for most urban areas in Southeast Asia. Higher rates of growth and more variation is observed for smaller cities—those with fewer than 300 000 persons, the lowest population limit for UN data on urbanization. When examining covariates of urban population growth, we find significant statistical associations of population change in smaller urbanized areas with climatic, economic, and land cover/land use variables, but with country-specific variations. Characterizing a continuum of urban population development in the context of changing environmental, economic and climate conditions has been an important sustainable development and equity issue for decades, but newer analysis of city-level drivers allows for systematic inquiry thus moving beyond total population counts for policy-relevant insight.

Southeast Asia synthesis↗
DOE OSTI2019

Evaluation of global simulations of aerosol particle and cloud condensation nuclei number, with implications for cloud droplet formation

A total of 16 global chemistry transport models and general circulation models have participated in this study; 14 model shave been evaluated with regard to their ability to reproduce the near-surface observed number concentration of aerosol particles and cloud condensation nuclei (CCN), as well as derived cloud droplet number concentration (CDNC). Model results for the period 2011–2015 are compared with aerosol measurements(aerosol particle number, CCN and aerosol particle composition in the submicron fraction) from nine surface stations located in Europe and Japan.The evaluation focuses on the ability of models to simulate the average across time state in diverse environments and on the seasonal andshort-term variability in the aerosol properties. There is no single model that systematically performs best across all environments represented by the observations. Models tend to underestimate the observed aerosol particle and CCN number concentrations, with average normalized mean bias (NMB) of all models and for all stations, where dataare available, of –24% and –35% for particles with dry diameters <50 and <120 nm, as well as –36% and –34% for CCNat supersaturations of 0.2% and 1.0%, respectively. Yet, they seem to behave differently for particles activating at very low supersaturations (<0.1%) than at higher ones. A total of 15 models have been used to produce ensemble annual median distributions of relevant parameters. The model diversity (defined as the ratio of standard deviation to mean) is up to about 3 for simulated N 3 (number concentration of particles with dry diameters larger than 3 nm) and up to about 1 for simulated CCN in the extra-polar regions. A global mean reduction of a factor of about 2 is found in the model diversity for CCN at a supersaturation of 0.2% (CCN 0.2 ) compared to that for N 3 , maximizing over regions where new particle formation is important. An additional model has been used to investigate potential causes of model diversity in CCN and bias compared to the observations by performing a perturbed parameter ensemble (PPE) accounting for uncertainties in 26 aerosol-related model input parameters. This PPE suggests that biogenic secondary organic aerosol formation and the hygroscopic properties of the organic material are likely to be the major sources of CCN uncertainty in summer, with dry deposition and cloud processing being dominant in winter. Models capture the relative amplitude of the seasonal variability of the aerosol particle number concentration for all studied particle sizes with available observations (dry diameters larger than 50, 80 and 120 nm). The short-term persistence time (on the order of a few days) of CCN concentrations, which is a measure of aerosol dynamic behavior in the models, is underestimated o naverage by the models by 40% during winter and 20% in summer. In contrast to the large spread in simulated aerosol particle and CCN number concentrations, the CDNC derived from simulated CCN spectra is less diverse and in better agreement with CDNC estimates consistently derived from the observations (average NMB –13% and –22% for updraft velocities 0.3 and 0.6m s –1 , respectively). In addition, simulated CDNC is in slightly better agreement with observationally derived values at lower than at higher updraft velocities (index of agreement 0.64 vs. 0.65). The reduced spread of CDNC compared to that of CCN is attributed to the sublinear response of CDNC to aerosol particle number variations and the negative correlation between the sensitivities of CDNC to aerosol particle number concentration( ∂ N d / ∂ N a ) and to updraft velocity ( ∂ N d / ∂ w ). Overall, we find that while CCN is controlled by both aerosol particle number and composition, CDNC is sensitive to CCN at low and moderate CCN concentrations and to the updraft velocity when CCN levels are high. Discrepancies are found in sensitivities ∂ N d / ∂ N a and ∂ N d / ∂ w ; models may be predisposed to be too“aerosol sensitive” or “aerosol insensitive” in aerosol–cloud–climate interaction studies, even if they may capture average droplet numbers well.This is a subtle but profound finding that only the sensitivities can clearly reveal and may explain inter-model biases on the aerosol indirect effect.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Conformational Dynamics of Bacteriochlorophyll c in Chlorosomes from the bchQ Mutant of Chlorobaculum tepidum

In contrast to the common viewpoint that bacteriochlorophyll (BChl) motion is largely absent within the chlorosome assembly, physics-based modeling points to a crucial role of the nanoscale librational motion of the macrocycle for the transfer of excitons. To elucidate this motion experimentally, compositional uniformity and high sensitivity are required. We focused on uniformly 13 C labeled chlorosome preparations from the bchQ mutant Chlorobaculum tepidum with significantly enhanced structural homogeneity. The librational motion is characterized using Rotational Echo DOuble Resonance (REDOR), and in addition, the impact of temperature on specific functionalities within BChl molecules is studied with 1-dimensional and 2-dimensional dipolar and scalar-based MAS NMR measurements. Results show the gradual freezing of the tails and side chains of the BChls with decreasing temperature. However, the librational motion analyzed by measuring the 5C–H dipolar coupling strength obtained from REDOR data sets persists at different temperatures. REDOR simulations show a close match to the experimental dephasing frequency of oscillation for a dipolar coupling strength of 17.5 ± 0.5 kHz which is considerably less than the dipolar coupling strength of 22.7 kHz in the rigid limit. Following a two-site jump model, we arrive at an estimate for BChl libration sampling at an angle of θ = 48 ± 4°, corroborating that the macrocycle indeed experiences significant librational motion on a time scale that is short compared to the NMR measurement time. This finding is in full quantitative support of the dominant rotational motion exhibited by the BChl macrocycle estimated from early MD simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Field Demonstration of The Krauklis Seismic Wave In A Novel Mva Method For Geologic CO 2 Storage

The Energy & Environmental Research Center (EERC) conducted a feasibility study of a new, low-impact geophysics monitoring method designed to incrementally track the saturation front of CO 2 injected into a reservoir. The method leverages a new way of transmitting energy from the surface to the reservoir and employs a new subsurface signal called the Krauklis wave (K-wave) and other guided waves for seismic monitoring. The EERC partnered with Seismos, Inc., the company that holds the exclusive technology license for this method, to advance development of K-wave technology, and Denbury Onshore, LLC, to field-test the system. The system was field-tested at Denbury’s Bell Creek oil field, currently undergoing CO 2 -based enhanced oil recovery (EOR) in southeastern Montana. The K-wave system uses a wellhead-mounted source to propagate energy down the wellbore in the form of a tube wave and through the well perforations into the reservoir. Part of the energy transmitted through the perforations into the reservoir converts to slow moving K-waves and/or other guided waves that are expected to propagate through the formation to neighboring wells. The propagated signal would induce tube waves in the neighboring wells that return to the surface to be recorded with a wellhead-mounted receiver. The propagation time of the signal is directly affected by the presence of CO 2 between the wells, so the difference in transit time of the returning signal between pre- and postinjection data sets could be used to help define the lateral extent of a CO 2 saturation front. Objectives of the study were to demonstrate, validate, and evaluate the K-wave method’s ability to monitor the morphology of injected CO 2 and estimate saturation distribution. Results from the demonstration were to be compared to conventional 4-D surface seismic methods, dynamic reservoir simulations, and CO 2 breakthrough data to validate the technology and provide useful information that may result in improvements. Prior to mobilizing for the full-scale K-wave baseline survey, a field test was conducted to better understand wellhead hardware configurations and test the response from the Bell Creek reservoir using three wells. Useful operational information resulted but signal from the first-generation gas release/gas injection source was not recorded in neighboring wells. After the initial field test, numerical modeling of the K-wave method was initiated using parameters specific to the Bell Creek Field. Modeling results indicated that the fundamental concepts behind the K-wave method exhibited problems and revealed a significantly greater attenuation of the signal at the wellbore perforations than expected, totaling on the order of 10-8 from source well to receiver well over a 400-m well spacing. Modeling also showed that greater source frequency bandwidth was needed to produce guided waves within a 30-foot-thick reservoir layer such as that at Bell Creek and that reservoir layer seismic velocity would need to be slower than the velocities of the bounding layers in order to act as a wave guide opposite to what exists at Bell Creek. Modeling results prompted a second field test with a stronger, second-generation displacement source developed in the interim. Concurrent with the second field test, a 3-D seismic survey was acquired to serve as a baseline for project validation and to serve as a monitor data set for the portion of the project area where CO 2 injection had already commenced. The new source was tested using a four-well geometry and failed to produce a detectable signal, which appeared to confirm modeling results and indicated that the Bell Creek Field is not an ideal site for the K-wave test. It was concluded that a source with sufficient strength and bandwidth could not be built to overcome the factors discovered by the modeling within a reasonable amount of time. Several other sites undergoing CO 2 -based EOR were also evaluated; however, none of these sites was amenable because of geology, limitations of source and receiver hardware, or the advanced state of the CO 2 flood. In addition, two other configurations of the source and receiver layout were considered; however, these design modifications either changed the scope of the project or did not meet the goals of the Carbon Storage Program. In consultation with the U.S. Department of Energy (DOE) Project Manager and Technology Manager, a no-go decision was invoked to forego additional expenditures as the technology would not meet current project objectives. Project activities to date have moved the technology forward by developing modeling equations that can be applied elsewhere, advanced the state of wellhead sensors and sources, and spurred improvements to field operations. The 3-D seismic survey in the project area and the dynamic reservoir simulations done as part of this study have provided value for ongoing and future synergistic activities at Bell Creek related to DOE carbon storage goals.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Integrating Ultra-Coarse-Grained Protein Models into Accessible Workflows for Multiscale Molecular Dynamics

To capture protein conformational transitions using molecular dynamics (MD), several simulation resolutions covering different spatial and temporal scales are typically needed. All-atom (AA) simulations provide fine resolution, but are computationally infeasible for large systems over longer durations. Coarse-grained (CG) and ultra-coarse-grained (UCG) models have a lower resolution and computational cost while still being able to conserve essential protein features. Prior work on a Multiscale Machinelearned Modeling Infrastructure (MuMMI) combined both AA and CG simulations to study RAS-RAF protein interactions, leveraging CG models for longer time scales and using AA to investigate unusual conformations in greater detail. However, MuMMI is still resource-intensive, and this study aims to maximize exploration of the protein conformational space while reducing computational cost. In this paper, we build on prior work that integrates UCG models based on heterogeneous elastic network modeling (hENM) into the MuMMI workflow. We demonstrate that UCG models enable accurate sampling of protein conformations, focusing on simulating RAS-RAF protein interactions. Using higher-resolution CG Martini simulation data, we can automatically refine intramolecular interactions in UCG models. We present a scalable Python package that uses fluctuations observed in higher-resolution CG Martini simulations to estimate bond coefficients of the UCG model. We built novel machine learning-based backmapping methods to recover more detailed CG Martini structures from UCG structures, using diffusion models to learn the mapping between scales. Finally, we present UCG-mini-MuMMI, an accessible and less compute-intensive version of MuMMI as a resource for the scientific community. Incorporating UCG models into MD studies is applicable to a broad range of systems and proteins, and our study offers insights into the advantages and limitations of these methods.

Chemical structure↗
DOE OSTI2026

Cosmological constraints from a joint DESI DR1 Full-Shape and DR2 BAO

We present a cosmological analysis combining full-shape (FS) clustering measurements from the Dark Energy Spectroscopic Instrument (DESI) DR1 with baryon acoustic oscillation (BAO) measurements from DESI DR2. To achieve a robust combination that accounts for the correlation between the two data releases, we employ the ShapeFit compression method and estimate the joint covariance using EZmocks. This compressed approach inherently mitigates the prior volume effects that have previously dominated Bayesian constraints from DESI data with minimal external priors. Consequently, we obtain — for the first time within a Bayesian framework — reliable DESI-only constraints on extensions to ΛCDM using only a Big Bang Nucleosynthesis prior on the baryon density and a wide prior on the spectral index. In flat ΛCDM, we find Ω m = 0.3035 ± 0.0085, h = 0.6876 ± 0.0059, and σ 8 = 0.822 ± 0.034. For the w 0 w a CDM dynamical dark energy model, we measure w 0 = -0.49 ± 0.25 and w a = -1.52 ± 0.77, improving constraints by ∼ 30% relative to the analogous DR1 measurement and reducing the discrepancy with ΛCDM to 1.4σ when compared to BAO only analyses. We also report competitive limits on the sum of neutrino masses and spatial curvature. This work demonstrates that the ShapeFit compression provides a prior-robust and computationally efficient pathway to constrain beyond-ΛCDM physics with large-scale structure.

baryon acoustic oscillations↗
DOE OSTI2017

Contaminant Leaching From Intact Saltstone Monoliths - 17517

At the Department of Energy's (DOE's) Savannah River Site (SRS) chemically reducing materials, such as blast furnace slag (BFS), are added to grout formulations mixed with low-level radioactive salt solution in order to enhance the attenuation of redox sensitive contaminants (e.g., technetium-99 (Tc-99)). The resulting cementitious material, known as saltstone, is deposited in a series of concrete vaults for permanent disposal at the Saltstone Disposal Facility (SDF). Under oxidizing conditions, Tc persists as an anion in the +7 oxidation state, i.e., pertechnetate (TcO{sub 4}{sup -}), with very limited retention generally associated with amphoteric soil oxides. However, Tc(VII) is subject to chemical reduction to the +4 oxidation state, which is less soluble and mobile in the environment. Thus, chemically reducing grouts provide both a physical (i.e., low saturated hydraulic conductivities (K{sub sat}) that limit H{sub 2}O turnover and O{sub 2} exposure) and chemical barrier (i.e., residual reductive capacity) to contaminant release. However, many of the previous experiments evaluating the ability of saltstone to chemically reduce and immobilize Tc have been conducted using ground saltstone materials as sorbents, a practice that is likely to reduce the moisture level in the material, enhance exposure to O{sub 2} and alter sorbent properties in an unpredictable manner. Therefore, the objective of the current study was to evaluate contaminant leaching from intact monoliths that better represent the initial physical and chemical state of saltstone within the SDF disposal units. For the current study, saltstone simulants were produced utilizing SRR prescribed formulations: initial batches were spiked with rhenium (Re) to serve as nonradioactive analog for Tc-99, and subsequent batches were spiked with Tc-99 for comparison. The relative concentrations of I, Re and Tc-99 in the salt-waste simulants were consistent with the average concentrations of I-129 and Tc-99 in the low-level feed waste. In addition, SRR retrieved intact monoliths from Saltstone Disposal Unit (SDU) Cell 2A in 2015 for testing. Contaminant mass transfer rates for Tc-99 and other contaminants from spiked saltstone simulants and actual SDF saltstone samples were assessed using EPA Method 1315, Mass Transfer Rates of Constituents in Monolithic or Compacted Granular Materials Using a Semi-Dynamic Tank Leaching Procedure. This method was recently adopted for evaluating contaminant leaching from intact monolithic materials. Given the importance of redox speciation in controlling the mobility of Tc-99, the EPA mass transfer tests for the spiked simulants were initially conducted using leachates in equilibrium with three different test atmospheres: (1) oxic, (2) anoxic, and (3) anoxic reducing. Nitrate (NO{sub 3}{sup -}) leaching was evaluated as a poorly retained waste constituent. The leaching behavior of cesium-137 (Cs-137), representing about 98% of the initial radioactivity of the saltstone, was also evaluated for the SDU-extracted samples. Results from Method 1315 were also compared to a novel Dynamic Leaching Method (DLM) in which a flexible-wall permeameter was used to achieve saturated leaching under an elevated hydraulic gradient in an effort to evaluate the persistence of reductive capacity and subsequent changes in contaminant partitioning within intact saltstone monoliths. The composition of the chemical leachates from both tests was thoroughly analyzed in an effort to identify potential solid phases controlling contaminant partitioning through geochemical modeling. For the EPA 1315 tests using spiked simulants, Re leaching rates (and other poorly sorbing contaminants like NO{sub 3}{sup -} and iodine), as indicated by high effective diffusivities (D{sub e}) and low leachability indices (i.e. LI = - log[D{sub e}]), were much higher than Tc-99, which was attributed to poor initial reduction and/or rapid oxidation of Re, indicating that Re is a poor chemical analog for evaluating Tc partitioning under reducing conditions. Technetium-99 leaching rates for the spiked saltstone samples also appeared to be sensitive to the estimated reduction capacity of the dry feed materials used in making grout, a characteristic that can vary between different BFS sources. Technetium-99 leaching rates for the intact saltstone samples in the EPA 1315 test were quite similar, with less variability between the three test samples. This may be indicative of the longer curing time before the SDF samples were tested (∼3 years). Somewhat surprisingly, the leaching rates for Cs-137 from the SDF samples were generally lower than the poorly sorbing contaminants, NO{sub 3}{sup -} and iodine. For the DLM tests, Re leaching from spiked saltstone was much higher than observed for Tc-99, with rates similar to that of non-reactive grout constituents, consistent with EPA 1315 leaching rates. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2026

Multi-arrival infrasound from meteoroids: Fragmentation signatures versus propagation effects in a fine-scale layered atmosphere

Infrasonic signatures of meteoroid fragmentation are frequently ambiguous: do multiple arrivals signify a complex breakup or merely the distorting effects of a layered atmosphere? Resolving this ambiguity is critical for accurate energy estimates and source reconstruction. In this study, we address this challenge by analyzing a unique regional dataset of well-constrained meteoroid events observed by the Southern Ontario Meteor Network and the co-located Elginfield Infrasound Array. We employ pseudo-differential parabolic equation (PPE) simulations to quantify how fine-scale gravity-wave structures in the stratosphere and lower thermosphere modify acoustic waveforms at ranges <300 km. Our modeling reveals that while fine-scale layering can stretch signals and generate diffuse oscillatory tails, it does not produce discrete, high-amplitude pulse splitting at ranges below ∼140 km. By applying these results to the rare multi-arrival event 20060305, we demonstrate that its distinct double arrival at 100 km range is inconsistent with atmospheric multipathing and provides definitive evidence of separate fragmentation episodes. These findings establish new diagnostic criteria for separating source physics from propagation artifacts, improving the reliability of infrasound as a monitoring tool for natural bolides, space debris re-entries, and catastrophic launch failures.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

North Dakota Integrated Carbon Storage Complex Feasibility Study. Final report

In spring 2017, the Energy & Environmental Research Center (EERC) initiated an effort to determine the feasibility of developing a commercial-scale CO 2 geologic storage complex able to store 50+ million tonnes (Mt) of CO 2 in central North Dakota safely, permanently, and economically. The objective was to fulfill the goals of the U.S. Department of Energy (DOE) Carbon Storage Assurance Facility Enterprise (CarbonSAFE) Initiative and address technical and nontechnical challenges specific to commercial-scale deployment of a CO2 storage project. The findings clearly show that the concept of capturing CO 2 from a lignite-fired electrical generation facility in central North Dakota and safely and permanently storing the CO 2 in the deep subsurface is indeed technically, economically, and socially feasible. This project evaluated two study areas and their respective geologic storage complexes located adjacent to separate coal-fired facilities in North Dakota: the Basin Electric Power Cooperative (BEPC)-owned Great Plains Synfuels Plant (GPSP) and the Minnkota Power Cooperative (Minnkota)-owned Milton R. Young Station (MRYS). These locations, one with CO 2 capture in place and an existing CO 2 pipeline, are bolstered by progressive North Dakota pore space ownership and long-term liability laws. These elements and a motivated team created an ideal synergistic scenario for ensuring success of the CarbonSAFE Initiative and promoting North Dakota’s statewide vision for carbon management. The project included drilling two new geologic characterization wells, integrating an existing 3-D seismic survey, creating a geologic model subsequently used for injection simulation, a risk assessment, public outreach, and generating a site development plan based on results. In addition, the performance of select National Risk Assessment Partnership tools was evaluated. The geologic characterization wells were drilled ~5600 feet deep to the Broom Creek Formation; ~350 feet of core was retrieved from each well. The core included the Broom Creek (targeted injection zone) and a portion of the overlying Opeche Shale (seal). The Flemmer-1 well, west of Beulah, North Dakota, yielded 169 feet of sandstone. The BNI-1 well located south of Center, North Dakota, yielded 124 feet of sandstone. In each case, laboratory analysis of the sandstone showed permeability in the 300–1000-mD range, with porosity of 20%–30%. The Flemmer-1 well was sited within the boundaries of an existing 3-D seismic survey. Colocating the well with the seismic survey maximized the relationship between new and legacy data and developed a first-of-its-kind interpretation of the geologic fabric of the Broom Creek. Geologic characterization data were integrated into a 5544-mi 2 geocellular model that encompassed both new wells and stratigraphy from the surface to the Amsden Formation (underlying the Broom Creek). The model was later expanded vertically to include the deeper Black Island–Deadwood interval to examine its potential viability as a storage target. The geocellular model provided the foundation for dynamic simulation of CO 2 into the Broom Creek. Results of the simulation suggest that the Broom Creek could accept the DOE target rate of 2 Mt/yr of CO 2 into as few as two wells. To bracket the expected capture from MRYS, simulations were also investigated for a 4-Mt/yr rate near MRYS. Although more wells are needed (two additional), the Broom Creek still has the storage resource to accept the CO 2 at the increased rate. A risk assessment exercise was conducted to identify and assess technical and nontechnical risks that could prevent potential candidate storage complexes within the study area from serving as commercial storage sites. The assessment identified and evaluated six technical risk categories: 1) CO 2 injectivity, 2) storage capacity, 3) lateral migration of CO 2 , 4) lateral pressure propagation, 5) vertical migration of CO 2 or formation brine, and 6) induced seismicity. Following two rounds of analysis and scoring, no risks were determined to preclude continued efforts to develop carbon capture, utilization, and storage (CCUS) in central North Dakota. The risk assessment results will be used to guide future site characterization, modeling and simulation, and monitoring activities. A specific nontechnical strategic risk based on challenges that may be realized in amalgamation of pore space resulted in vertically expanding the geologic model to incorporate the potential for stacked storage in multiple saline reservoirs. By including the Black Island–Deadwood interval (the basal sedimentary reservoir in this region), the amalgamated areal extent could be reduced by as much as 45%. Working with a smaller geographic area reduces risks and costs associated with monitoring and pore space leasing. An economic evaluation incorporating capture; transport (<5 mi); Class VI wells; permitting; and monitoring, verification, and accounting suggests implementing commercial-scale CCUS is economically attractive if the federal tax benefits of 45Q are included. This is validated by Minnkota’s continued pursuit of CO 2 capture and geologic storage at MRYS through its Project Tundra initiative, indicating that there is a business case for CCUS in central North Dakota. Currently, North Dakota is the only state with underground injection control (UIC) Class VI primacy. Built into the North Dakota Century Code is a series of regulatory requirements that guide the process to obtain a Class VI CO 2 storage facility permit. As part of this project, a site development plan was compiled to assure compliance with North Dakota’s requirements to permit a commercial-scale CO 2 storage operation and includes a prospective time line encompassing a general breakdown of activities. In total, an estimated 30 months would be needed to execute the necessary steps to attain a North Dakota CO 2 storage facility permit. Outreach was an integral part of the project and encompassed any project-related activity that had contact or exposure beyond the project team. The goals of outreach were to foster an environment from which stakeholders could make informed decisions about the project and gauge community receptiveness to a CCUS project. A consistent set of messages and outreach products were developed in conjunction with an outreach advisory board that integrated project partners and team members. To gauge public acceptability of geologically storing CO 2 , 5611 households in the project area were invited to participate in an online survey. The survey results indicate that the public attitude regarding CCUS is neutral to positive, with strong sentiment that CO 2 capture and storage may be an approach to maintain the economic vitality of the region. To achieve project objectives, critical support in the form of financial backing, engineering evaluations, site access, outreach collaboration, operations data, risk assessment/evaluation, and software access was provided by BEPC, the North Dakota Industrial Commission Lignite Research Council, ALLETE Clean Energy, BNI Energy, North American Coal Corporation, Minnkota, Prairie Public Broadcasting, Computer Modelling Group Ltd., and Schlumberger.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Strategies to mitigate urban heat: Effects on overheating and cloud formation

This study evaluates the effectiveness of various urban heat island (UHI) overheating mitigation strategies and their associated impacts on urban cloud dynamics and thermal processes. This study shows cloud-resolving and urban-resolving modeling results estimating the impact of Houston-Galveston heat mitigation scenarios and other resilient strategies contemplated in the Climate Adaptation Plan and Resilient Houston reports. The simulated scenarios include high intensity green rooftops, rooftop photovoltaic solar panels, enhanced urban irrigation, white/cool roofs and roads, and street trees. We contrast the adaptation scenarios against a present baseline case, a no city scenario and a larger and denser city as projected by the Houston-Galveston Area Council for 2045. During the daytime, cooling strategies such as cool roofs, cool roads, and green roofs exhibit superior performance in mitigating urban overheating. At night, enhanced urban irrigation emerges as the most effective cooling intervention. Cooling strategies significantly reduce sensible heat flux partitioning during the day, a process that reduces the uplift of air, suppressing the formation of urban shallow cumulus clouds. The extent of urban cloud mixing ratio is reduced in proportion to the decrease in sensible heating. Under the BEP-Tree scenario, which includes wind effects and evapotranspiration driven by a stomatal conductance model, urban trees demonstrated negligible environmental cooling effects and minimal urban cloud modifications. In contrast, the scenarios with more urban cooling and higher latent heat fluxes led to suppressed urban clouds. The net cooling effect achieved by the heat mitigation strategies is influenced by a combination of indirect processes, including the reduction of downwelling longwave radiation flux, due to reduced cloud presence, while some warming is attributed to a modest increase in shortwave radiation that offsets the cooling benefit. Additionally, reduced heat dissipation, weakened thermal gradients, and diminished vertical mixing over urban areas further moderate the cooling potential. These findings highlight the pivotal role of clouds and moist atmospheric processes in shaping the UHI effect and offer insights for designing more effective urban cooling strategies.

albedo changes↗
DOE OSTI2026

Characterizing degraded visual environments with scanning lenses to improve contrast recovery

Atmospheric aerosols, such as fog and smoke, degrade optical signals via the scattering and absorption of light, making it difficult to recover information from the surrounding environment. Here, we present a technique that measures the angular distribution of light in scattering environments to help recover these degraded optical signals. This is done by passing a collimated beam through the aerosol environment and collecting the scattered and unscattered light with an f-theta scan lens. The lens transforms the angular distribution of the scattered light into the linear domain, mapping the collected light onto a detector. The measured angular scattering distribution is then used to estimate the point spread function of the environment at an arbitrary stand-off distance. This point spread function can be used to deconvolve images blurred by the aerosol environment in which the angular scattering distribution was initially measured. With this approach, we demonstrate improvements in the effective resolution of deblurred images up to 26% over a 120-cm stand-off distance. Experimentation was performed in the Sandia National Laboratories tabletop fog chamber, a platform that generates aerosol environments analogous to real-world fogs. We intend to leverage this technique in future work to develop a low-SWaP system for the in situ characterization of aerosol environments.

Aerosols↗
DOE OSTI2026

Optimizing infrasound observations for sample return capsule re-entry: Insights from OSIRIS-REx and Hayabusa2

The atmospheric entry of meteoroids presents a rare and unpredictable phenomenon, posing challenges for systematic observation and detailed characterization. Such events are nonetheless critical for advancing understanding of acoustic wave propagation, atmospheric structure, and entry dynamics. In contrast, sample return capsules (SRCs) from space missions follow well constrained re-entry trajectories, enabling planned observations of shock wave generation and propagation under controlled conditions. This study compares two SRC atmospheric entries, Hayabusa2 in 2020 and OSIRIS-REx in 2023, to assess how different infrasound array configurations influence shock wave detection and trajectory validation. Hayabusa2’s re-entry was monitored using a distributed network of 28 portable infrasound sensors across seven arrays in Woomera, Australia, permitting three-dimensional reconstruction of the trajectory and analysis of wave characteristics. For OSIRIS-REx, a compact four-sensor array deployed near Eureka Airport provided trajectory confirmation through arrival-time differences and back-azimuth estimates. Spectral and waveform analyses revealed differences in signal properties associated with variations in entry angle and velocity. The results illustrate both the strengths and the limitations of the deployed array configurations. The dense and distributed arrays during Hayabusa2’s re-entry enabled detailed trajectory reconstruction, whereas the compact array at Eureka primarily provided confirmation of signal coherence and back-azimuth consistency. These case studies highlight that even relatively small arrays, if located close to the predicted ground track, can still capture useful information on arrival direction and timing. Such insights provide practical guidance for planning future observational campaigns of SRC returns and other controlled atmospheric entries, and may also inform approaches to opportunistic observations of meteoroid events and other atmospheric acoustic phenomena.

celestial mechanics: orbit determination↗
DOE OSTI2024

Solid State Quantum Refrigeration Superconducting, Absorption and Measurement Based (Final Technical Report)

During this DOE grant, DE-SC0017890, in place for the past six years, all proposed research was carried out and published in peer-reviewed papers, as well as other projects that emerged during the research. In that effort the research team accomplished all proposed research, as well as many closely related research projects discovered and conceived of during the grant. These works included “Efficient Quantum Measurement Engines”, a work published in Physical Review Letters, giving a theory of quantum measurement-based engines, which uses quantum measurement as a resource. These engines are designed to efficiently convert energy from the stochastic quantum measurement process into useful work. Further publications include “Experimental Realization of a Quantum Dot Energy Harvester”, a joint theory and experimental work in collaboration with the group of Charles Smith in Cambridge, UK, as well as long time theoretical collaborators, Rafael Sánchez and Björn Sothmann. This work, featured as an Editor’s Suggestion in Physical Review Letters, realized an earlier theoretical proposal of ours, whereby two resonant tunneling quantum dots are connected to a central electronic cavity that is heated by a hot energy source. We also published “Superconducting Quantum Refrigerator: Breaking and Rejoining Cooper Pairs with Magnetic Field Cycles” a work done in collaboration with experimentalist Francesco Giazotto from ENS Pisa, Italy, which also resulted in a patent. This paper, published in Phys. Rev. Applied, advanced the concept of a cyclic fridge based on the normal/superconducting phase transition together with layered materials separated by tunnel junctions. We also completed the proposed research on a heat transistor, publishing “Thermal transistor and thermometer based on Coulomb-coupled conductors”, carried out as a collaboration between my group and theorists Splettstoesser (Lund U., Sweden), Sothmann (U. Duisburg-Essen, Germany), and Sánchez (U. Autónoma de Madrid, Spain). We carried out an analysis of a quantum coupled to a quantum point contact as a sensitive thermometer and heat transistor. We found the optimal statistical estimator for the temperature and compared it with experiments on the same type of devices. We also investigated autonomous quantum absorption refrigerators using quantum dots to cool by using a very hot thermal reservoir to drive heat between two other reservoirs. In the article “Quantifying the quantum heat contribution from a driven superconducting circuit”, we demonstrated that for a driven superconducting circuit, we showed heat flow provided by a hot source to the qubit can be switched on and off by varying external parameters, the frequency and the intensity of the driving. In the work “Stochastic thermodynamic cycles of a mesoscopic thermoelectric engine”, we reconsidered the autonomous thermoelectric heat engine in terms of underlying cycles. Rather than periodic behavior, the cycles were stochastic in nature. Nevertheless, by undertaking a graph theoretical analysis of the elementary transport processed, great quantitative and qualitative insight could be found. We also considered the quantum measurement process and showed that a quantum version of Maxwell’s demon could be related to the work extraction of a quantum system, closely related to arrow-of-time measures for quantum measurement, as described in our article “Thermodynamics of quantum measurement and Maxwell's demon's arrow of time”. This work was selected in Phys. Rev. A as an Editor’s Suggestion. A recent preprint titled “Cyclic Superconducting Quantum Refrigerators Using Guided Fluxon Propagation” accomplished an important piece of this grant: to propose a new kind of quantum refrigerator using the dynamics of fluxons in a type II superconductor. This invention envisioned a race-track type geometry where fluxons are confined. By applying a gradient of magnetic field together with electric current in a Corbino geometry, the circulating fluxons can actively cool a cold reservoir, realizing a new type of cyclic superconducting refrigerator. We also investigated the possibility of thermal control from different points of view. The application of quantum measurement to the system gives a new kind of control on the system of interest – we have pioneered this approach and shown that measurement can boost the thermal power of quantum engines as described in “Continuous measurement boosted adiabatic quantum thermal machines”. The ability to have heat flows on demand is an outstanding challenge, and we have provided new solutions to this problem in Thermal control across a chain of electronic nanocavities” for a chain of electron cavities using gating voltage control. The control methods using qubit/qubit coupling to create absorption fridges at their most fundamental level have also been developed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Evaluation of Steam Cycle Upgrades to Improve the Competitiveness of U.S. Coal Power Plants (Final Scientific / Technical Report)

Increasing the competitiveness of the existing pulverized-coal utility fleet in the United States may be achieved by decreasing heat rate, via increases in steam cycle efficiency through upgraded steam temperatures and use of latest technology available in steam turbine and blading design. The average net plant efficiency of the US coal-fired fleet is approximately 33% (HHV). Plant efficiency increases to approximately 41.4% (HHV) at 1,350°F (732°C) steam temperature. However, achieving these Advanced Ultra-Super Critical (AUSC) steam conditions requires the use of advanced high-temperature materials. While there has been a significant amount of DOE-funded materials R&D, most of the related design work has focused on new (greenfield) units, rather than on opportunities to retrofit this advanced technology to the existing utility fleet. If technology, based upon the advanced materials required for AUSC steam conditions, may be applied to the existing fleet, using an economically viable retrofit, a higher capacity factor can be expected as a result of the increased plant competitiveness. The Electric Power Research Institute (EPRI) was awarded a project by the US Department of Energy to examine the technical and economic feasibility of a series of steam cycle upgrades to the two most prevalent types of U.S. coal power plants: 2,400 psig (16.6 MPa) subcritical and 3,500 psig (24.1 MPa) supercritical pulverized coal units. The nine upgrade options that were originally being considered included increasing the main and reheat steam temperatures from 1,000°F (538°C) to 1,100°, 1,200°, and 1,350°F (593°C, 649°C, and 732°C) while holding the steam pressures constant at their original design values, and cases where just the main steam or reheat steam temperatures were increased. The objective was to minimize the modifications required to the existing power plant while still providing a significant improvement in heat rate. The upgrade options assumed that the boiler enclosure envelope remained unchanged from each base case, and that all applicable OEM design guidelines for normal commercial units were imposed. For the highest temperature supercritical case, an option of using a low-pressure molten salt loop to transfer heat from the furnace to the steam was examined. The first major task of the work scope was designed to examine the technical feasibility of various upgrade options, while the subsequent work determined economic viability of the technically feasible upgrade options. Prior to evaluating the effect of these increased temperatures, a “base case” model of a subcritical and supercritical PC boiler was created, which was used for comparative purposes. Upgrade options were evaluated at full-load, part-load and dynamic transient conditions. Once the technical feasibility of each upgrade option was evaluated, the economic value of the heat rate improvement of each feasible option was determined by detailed modeling of unit dispatch in several regional power markets. The dispatch model was used to estimate the amount of revenue from power sales the upgraded unit would receive in comparison to a non-upgraded version of the same power plant. As a parallel task to the dispatch analysis, the capital cost of implementing the upgrades was estimated. The capital cost estimates were then compared to the increased revenue estimated by the dispatch modeling to determine the economic attractiveness of each upgrade option. Several upgrade options were determined to be technically feasible. The net present value (NPV) of the costs for steam cycle upgrades considered in this study ranged from approximately $\$$111 to $\$$130 million. The economic modeling results show that the unit dispatch changes resulting from steam cycle upgrades are relatively small, due largely to heat rate (and operating cost) changes being relatively small. Additionally, the cost of each upgrade exceeds the net revenue increases associated with the upgrade case. Note that the breakeven values are higher for subcritical retrofits, but the capital costs for the subcritical upgrades are also slightly higher. In typical new pulverized coal plants, fuel accounts for approximately 25% of the cost of electricity (COE), while capital costs represent around 50% of the COE. Therefore, in order to improve the heat rate by 4% one can only afford to increase the capital cost by 2%, at the same cost of electricity. The conclusion of this study is that without a cost for emitting CO 2 , it will be difficult to pay for significant efficiency improvements on plants firing low cost coals.

01 COAL, LIGNITE, AND PEAT↗