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DOE OSTI2021

System Configuration Evaluation for Process Settling of Hanford Waste Solid Particles

Direct Feed High-Level Waste (DFHLW) is a potential flowsheet operations approach to initiating high-level waste (HLW) vitrification prior to completion of the Hanford Waste Treatment and Immobilization Plant (WTP) Pretreatment Facility. A settle/decant process has been proposed to concentrate solids prior to delivery to the WTP HLW Facility during DFHLW operations, wherein the solids in a settled layer would be remixed with the supernatant liquid remaining after decanting operations to provide the feed at required solids concentrations. Settling would be used in lieu of purpose-built filtration or other solids separation equipment. Pacific Northwest National Laboratory (PNNL) is providing baseline technical support to the Washington River Protection Solutions (WRPS) Flowsheet Integration group. To support planning for DFHLW, WRPS previously requested that PNNL evaluate the current data set available to predict the time needed for HLW solids to settle and the solids concentration and strength of that settled layer, to identify gaps in the understanding and predictive capability of HLW solids waste settling times, and to provide scoping estimates of the potential settling times. Eight technical gaps were identified for predicting settling times and characteristics of the formed sediment layers. In addition to the data gaps, an overarching observation was made that there is significant variation in behavior of settling rate and settled layer data. The settling time required to concentrate solids via a settle/decant process was determined from the limited data to have a difference of potentially more than a factor of 5,000 in the estimated settling times, varying from 0.2 to 1,060 days for example depending on process vessel depth and final sediment solids concentration. In contrast, successful processes of liquid-forward output streams resulting from in-tank settling and decanting forward liquid have been reported for operations conducted at the Hanford Site. The purpose of this current report is to further support DFHLW planning by evaluating double-shell tank (DST) and alternate vessel equipment and operational configurations to enable optimization of the settle/decant process to concentrate solids. Hanford waste processing behavior specific to liquid feed availability following a slurry transfer in a DST is summarized, including process stream characteristics and process equipment configurations. The performance of DST process equipment configurations is evaluated for possible improvements using computational fluid dynamics (CFD) and simple analytical models. Potential new vessel design(s) specific to enabling effective settle/decant processes, and cursory summary of other separate and inline solids separations processes, are also provided. The CFD results indicated that improvement in outflow solids concentration was promoted by a reduction in the slurry flow rate, angling the distributor nozzles downward, and lifting the transfer pump. The solid-liquid analysis evaluating particle trajectory confirmed that the potential for particle ingestion (in the transfer pump) was decreased with increased radial separation between the inlet and outlet (transfer pump inlet), decreased inlet flow, and decreased liquid density and viscosity for a neutrally buoyant inlet flow. An assessment was also made of the potential for inflow configuration changes to result in the discrete mounding or piling of solids within the tank. Based on the characterization of the settled waste to date, HLW sediments will be unlikely to sustain a substantial angle of repose to facilitate significant variations in the elevation of the settled solids.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

A Coupled Small and Wide-Angle X-Ray Scattering Study of Phase Transformation Mechanisms in U-6Wt Pct Nb

The elevated temperature phase transformation kinetics of U-6wt%Nb in both wrought and cast conditions were investigated using in-situ high energy synchrotron X-ray scattering. The evolution of the phase content, γ-phase composition, and microstructure morphology was determined through the analysis of simultaneously collected wide-angle diffraction and small-angle scattering (SAXS) data. The results of the wide-angle scattering analysis, especially the phase fractions and average composition of the γ-phase, provide model parameters to enable a quantitative analysis using the SAXS data. Greater clarity regarding the kinetics of different precipitation mechanisms, namely the continuous precipitation (CP) of α-U within the γ-phase matrix and the discontinuous (DP) grain boundary precipitation of a lamellar microstructure, consisting of α-U and Nb-rich γ-phase are obtained from the coupled measurement modes. These results indicate that the CP mechanism is responsible for the initial precipitation of α-U at all temperatures considered. Near the nose in the time-temperature-transformation (TTT) diagram at ~798 K, both mechanisms are active during the early stages of phase transformation. However, the DP mechanism has an increasingly long incubation period with decreasing temperature below the TTT nose. In conclusion, the average interlamellar spacing obtained from the SAXS analysis increases with time, providing further evidence of the so-called divergent DP behavior previously observed in U-6wt%Nb alloys.

36 MATERIALS SCIENCE↗

DOE OSTI2024

The distinctive mechanical and structural signatures of residual force enhancement in myofibers

In muscle, titin proteins connect myofilaments together and are thought to be critical for contraction, especially during residual force enhancement (RFE) when steady-state force is elevated after an active stretch. We investigated titin’s function during contraction using small-angle X-ray diffraction to track structural changes before and after 50% titin cleavage and in the RFE-deficient,mdmtitin mutant. We report that the RFE state is structurally distinct from pure isometric contractions, with increased thick filament strain and decreased lattice spacing, most likely caused by elevated titin-based forces. Furthermore, no RFE structural state was detected inmdmmuscle. We posit that decreased lattice spacing, increased thick filament stiffness, and increased non-cross-bridge forces are the major contributors to RFE. We conclude that titin directly contributes to RFE.

Science & Technology - Other Topics↗

DOE OSTI2025

Site A5 - NREL Scanning Lidar (Halo Allsky SN235) / Reviewed Data

This dataset contains lidar data that have been standardized and quality-controlled through NREL/FIEXTA/LiDARGO (https://github.com/NREL/FIEXTA/tree/main/lidargo). Standardization rearranges the lidar data into convenient range vs beamID vs scanID coordinates that facilitates data analysis. The scan geometry (i.e., azimuth, elevation) is shifted on a regular grid based on the most likely angles within the scan file. Quality control of radial wind speed is performed through a generalized version of the dynamic lidar filter (Beck and Kuhn, 2017).

17 WIND ENERGY↗

DOE OSTI2025

Site A1 - ARM Scanning Lidar (Halo XR) / Reviewed Data

17 WIND ENERGY↗

DOE OSTI2026

FC Site 4.0 - NLR Scanning Lidar (Halo XR+ 235) / Standardized and Quality-Controlled Data

This dataset contains lidar data that have been standardized and quality-controlled through NatLabRockies/FIEXTA/LiDARGO (https://github.com/NatLabRockies/FIEXTA/tree/main/lidargo). Standardization rearranges the lidar data into convenient range vs beamID vs scanID coordinates that facilitate data analysis. The scan geometry (i.e., azimuth, elevation) is shifted on a regular grid based on the most likely angles within the scan file. Quality control of radial wind speed is performed through a generalized version of the dynamic lidar filter (Beck and Kuhn, 2017).

17 WIND ENERGY↗

DOE OSTI2026

FC Site 4.2 - NLR Scanning Lidar (Halo XR+ 199) / Standardized and Quality-Controlled Data

17 WIND ENERGY↗

DOE OSTI2026

FC Site 1.9 - NLR Scanning Lidar (Halo XR+ 200) / Standardized and Quality-Controlled Data

17 WIND ENERGY↗

DOE OSTI2021

Frequency and Characteristics of Inland Advecting Sea Breezes in the Southeast United States

Sea breezes have been observed to move inland over 100 km. These airmasses can be markedly different from regional airmasses, creating a shallow layer with differences in humidity, wind, temperature and aerosol characteristics. To understand their influence on boundary layer and cloud development on subsequent days, we identify their frequency and characteristics. We visually identified sea breeze fronts on radar passing over the Savannah River Site (SRS) between March and October during 2015–2019. The SRS is ~150 km from the nearest coastal location; therefore, our detection suggests further inland penetration. We also identified periods when sea breeze fronts may have passed but were not visually observed on radar due to the shallow sea breeze airmass remaining below the radar beam elevation that ranges between approximately 1–8 km depending on the beam angle and radar source (Columbia, SC or Charleston, SC). Near-surface atmospheric measurements indicate that the dew point temperature increases, the air temperature decreases, the variation in wind direction decreases and the aerosol size increases after sea breeze frontal passage. A synoptic classification procedure also identified that inland moving sea breezes are more commonly observed when the synoptic conditions include weak to moderate offshore winds with an average of 35 inland sea breezes occurring each year, focused primarily in the months of April, May and June.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Dynamical Unification of Tidal Disruption Events

The ~100 tidal disruption events (TDEs) observed so far exhibit a wide range of emission properties both at peak and over their lifetimes. Some TDEs radiate predominantly at X-ray energies, while others radiate chiefly at UV and optical wavelengths. While the peak luminosities across TDEs show distinct properties, the evolutionary behavior can also vary between TDEs with similar peak emission properties. In particular, for optical TDEs, while their UV and optical emissions decline somewhat following the fallback pattern, some events can greatly rebrighten in X-rays at late time. In this Letter, we conduct three-dimensional general relativistic radiation magnetohydrodynamics simulations of TDE accretion disks at varying accretion rates in the regime of super-Eddington accretion. We make use of Monte Carlo radiative transfer simulations to calculate the reprocessed spectra at various inclinations and at different evolutionary stages. We confirm the unified model proposed by Dai et al., which predicts that the observed emission largely depends on the viewing angle of the observer with respect to the disk orientation. Furthermore, we find that disks with higher accretion rates have elevated wind and disk densities, which increases the reprocessing of the high-energy radiation and thus generally augments the optical-to-X-ray flux ratio along a particular viewing angle. This implies that at later times, as the accretion level declines, we expect that more X-rays will leak out along intermediate viewing angles. Such dynamical model for TDEs can provide a natural explanation for the diversity in the emission properties observed in TDEs at peak and along their temporal evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2026

High-throughput small-angle X-ray scattering reveals effective structure factor transitions linked to high-concentration antibody viscosity

High-concentration monoclonal antibody (mAb) formulations are often constrained by elevated viscosity, largely driven by protein–protein interactions, which complicates manufacturing and limits subcutaneous delivery. Early viscosity risk assessment is essential during discovery, yet traditional measurements require large sample volumes, and lack high-throughput capability. Here, we develop a high-throughput small-angle X-ray scattering (SAXS) protocol to detect mAb self-association at dilute concentrations, enabling early predictive insights into high-concentration viscosity. Synchrotron SAXS measurements were conducted for 21 mAbs formulated in a histidine buffer at pH 6.0. An initial subset of 10 mAbs analyzed across 1–150 mg/mL revealed that effective structure factor transitions in the low-q region, indicative of interparticle interactions, consistently emerged below 25 mg/mL. Subsequently, 11 additional mAbs were analyzed at 1–25 mg/mL using automated liquid handling and flow cells to enable high-throughput screening. High-viscosity mAbs exhibited detectable low-q upturns at concentrations ≤10 mg/mL, whereas low-viscosity mAbs showed downturns. A classification criterion based on effective structure factor transitions accurately classified all high- and low-viscosity mAbs at 150 mg/mL, offering a scalable, sample-efficient alternative to conventional methods. These results extend recent findings on the concentration-dependent sensitivity of SAXS to short-range attractions, demonstrating that they can emerge at lower concentrations than previously reported. This study presents the most comprehensive and diverse SAXS dataset for mAbs reported to date within a single formulation, providing a valuable resource for developing and validating coarse-grained models that can more accurately capture intermolecular interactions governing high-concentration solution behavior, thereby enabling rational antibody engineering and improved developability.

36 MATERIALS SCIENCE↗

DOE OSTI2021

RivGraph: Automatic extraction and analysis of river and delta channel network topology

River networks sustain life and landscapes by carrying and distributing water, sediment, and nutrients throughout ecosystems and communities. At the largest scale, river networks drain continents through tree-like tributary networks. At typically smaller scales, river deltas and braided rivers form loopy, complex distributary river networks via avulsions and bifurcations.In order to model flows through these networks or analyze network structure, the topology, or connectivity, of the network must be resolved. Additionally, morphologic properties of each river channel as well as the direction of flow through the channel inform how fluxes travel through the network’s channels. Riv Graphis a Python package that automates the extraction and characterization of river channel networks from a user-provided binary image, or mask, of a channel network (Fig. 1). Masks may be derived from (typically remotely-sensed) imagery, simulations, or even hand-drawn. RivGraph will create explicit representations of the channel network by resolving river centerlines as links, and junctions as nodes. Flow directions are solved for each link of the network without using auxiliary data, e.g., a digital elevation model (DEM). Morphologic properties are computed as well, including link lengths, widths, sinuosities, branching angles,and braiding indices. If provided,RivGraph will preserve georeferencing information of the mask and will export results as ESRI shapefiles, GeoJSONs, and GeoTIFFs for easy import into GIS software.RivGraph can also return extracted networks as networkx objects for convenient interfacing with the full-featured networkx package (Hagberg et al., 2008). Finally, RivGraph offers a suite of topologic metrics that were specifically designed for river channel network analysis (Tejedor et al., 2015b).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

UAE6 - Wind Tunnel Tests Data - UAE6 - Sequence X - Raw Data

Sequence X: Elevated RPM (F) This test sequence used an upwind, rigid turbine with a 0° cone angle. The wind speed ranged from 5 m/s to 12 m/s, and yaw angles of ±30° were obtained. The blade pitch angle was 3°. The rotor rotated at 90 RPM. Blade pressure measurements were collected. The five-hole probes were removed and the plugs were installed. Plastic tape 0.03-mm-thick was used to smooth the interface between the plugs and the blade. The teeter dampers were replaced with rigid links, and these two channels were flagged as not applicable by setting the measured values in the data file to –99999.99 Nm. The teeter link load cell was pre-tensioned to 40,000 N. During post-processing, the probe channels were set to read -99999.99. As described in Appendix F, the hydrostatic correction derived for operation at 72 RPM was applied to these data.

17 WIND ENERGY↗

DOE OSTI2021

Origin of Proteolytic Stability of Peptide-Brush Polymers as Globular Proteomimetics

Peptide-brush polymers (PBPs), wherein every side-chain of the polymers is peptidic, represent a new class of proteomimetic with unusually high proteolytic resistance while maintaining bioactivity. Here, we sought to determine the origin of this behavior and to assess its generality via a combined theory and experimental approach. A series of PBPs with various polymer backbone structures were prepared and examined for their proteolytic stability and bioactivity. We discovered that an increase in the hydrophobicity of the polymer backbones is predictive of an elevation in proteolytic stability of the side-chain peptides. Computer simulations, together with small-angle X-ray scattering (SAXS) analysis, revealed globular morphologies for these polymers, in which pendant peptides condense around hydrophobic synthetic polymer backbones driven by the hydrophobic effect. As the hydrophobicity of the polymer backbones increases, the extent of solvent exposure of peptide cleavage sites decreases, reducing their accessibility to proteolytic enzymes. This study provides insight into the important factors driving PBP aqueous-phase structures to behave as globular, synthetic polymer-based proteomimetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

ORNL FACE Tree Height, with data on height of a subset of trees measured every year, 1997-2009. Free-Air CO2 Enrichment (FACE) Experiment Synthesis Activities.

Height of 20 sweetgum trees in three rows of each of the plots in the Oak Ridge National Laboratory (ORNL) free-air CO2 enrichment (FACE) experiment was measured each year of the experiment (1997-2009). The trees were exposed to ambient or elevated CO2. Tree height data contribute to the overall project objectives to determine the integrated response of a deciduous forest to elevated CO2. Average tree height per plot was used in allometric equations to calculate tree dry mass each year and to test whether there were effects of elevated CO2 on canopy development. Height was derived from trigonometric calculation from measurements of horizontal distance of observer from the bole and the angles from observer’s eye to top and base of tree, using a Haglof sonic hypsometer. The data are presented in a csv file, with plot number in the first column, tree number in the second column, and height recorded to 0.1 m in 1997 to 2009 in remaining columns. Plots 1 and 2 had elevated CO2, and plots 3-5 were in ambient CO2. Missing data occur after the tree died. The experiment and the height measurement are described in: Norby, R. J., D. E. Todd, J. Fults, and D. W. Johnson. 2001. Allometric determination of tree growth in a CO2-enriched sweetgum stand. New Phytologist 150: 477-487. The ORNL FACE experiment is described at: https://richnorby.org/home/face-home/.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Current status of the electron transport line from RCS to ESR: RTE line

The electron injection system of the U.S. Electron-Ion Collider (EIC) is located outside of the RHIC tunnel. Electrons beams accelerated by the Rapid Cycling Synchrotron (RCS) must be transported to the Electron Storage Ring (ESR), which resides within the RHIC tunnel. To accomplish this, a dedicated beam transport line, referred to as RTE (RCS-to-ESR) line is being designed. The proposed conceptual design comprises three main sections; RCS extraction, a vertical bend and dispersion suppression region, and ESR injection matching. The extraction section uses pulsed kickers and septum magnets to achieve a total deflection angle of 3 degrees. To align the injection section with ESR, the beamline must provide a vertical elevation of 1.68 m, and an array of FODO cells is used to suppress the vertical dispersion. The total length of the RTE line is approximately 133 m, and this paper presents the current design status and considerations for this transport line.

Accelerator Physics↗

DOE OSTI2020

Annealing of ion tracks in apatite under pressure characterized in situ by small angle x-ray scattering

Fission track thermochronology is routinely used to investigate the thermal history of sedimentary basins, as well as tectonic uplift and denudation rates. While the effect of temperature on fission track annealing has been studied extensively to calibrate the application of the technique, the effect of pressure during annealing is generally considered to be negligible. However, a previous study suggested elevated pressure results in a significantly different annealing behaviour that was previously unknown. Here, we present a method to study track annealing in situ under high pressure by using synchrotron- based small angle x-ray scattering (SAXS). To simulate fission tracks in a controlled environment, ion tracks were created in apatite from Durango, Mexico using 2 GeV Au or Bi ions provided by an ion accelerator facility. Samples were annealed at 250°C at approximately 1 GPa pressure using diamond anvil cells (DAcs) with heating capabilities. Additional in situ annealing experiments at ambient pressure and temperatures between 320 and 390°C were performed for comparison. At elevated pressure a significantly accelerated annealing rate of the tracks was observed compared with annealing at ambient pressure. However, when extrapolated to geologically relevant temperatures and pressures, the effects become very small. The measurement methodology presented provides a new avenue to study materials behaviour in extreme environments.

58 GEOSCIENCES↗

DOE OSTI2025

Nanoscale structural evolution and phase transformation of geopolymers: In situ SAXS/WAXS investigation under uniaxial tension at elevated temperatures

This investigation delves into the degradation mechanisms of high-density polyethylene geomembranes (PE GMXs) under a spectrum of conditions, replicating real-world scenarios within a rigorously controlled laboratory setting. The treatment protocols applied induced a notable increase in the crystallinity of the treated specimens relative to the untreated controls. Small-angle x-ray scattering (SAXS) analysis identified an initial long period (interlamellar distance) of 16.9 nm for the untreated polymer, which expanded by 19.5% at a strain of 16.7 percent. Conversely, the treated PE GMXs exhibited a more gradual elongation of the long period, with an increase of merely 10.6% at a strain of 23.3 percent. At an elevated temperature of 65°C, both samples exhibited pronounced strain hardening, with the treated PE GMXs demonstrating superior stability even at a strain of 150 percent. Wide-angle x-ray scattering (WAXS) experiments corroborated these observations, revealing that the diffraction patterns of the untreated PE remained stable up to a strain of 16.7%, whereas those of the treated PE remained distinct up to a strain of 46.1 percent. Scanning electron microscopy (SEM) images substantiated the formation of a shish–kebab structure in the treated samples. The study concludes that the geopolymer underwent oxidation and material degradation as a result of the chemical and mechanical treatments, transitioning to a more crystalline state and concomitantly losing its initial elasticity.

36 MATERIALS SCIENCE↗