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DOE OSTI2022

Using Ensemble Data Assimilation to Estimate Transient Hydrologic Exchange Flow Under Highly Dynamic Flow Conditions

Abstract Quantifying dynamic hydrologic exchange flows (HEFs) within river corridors that experience high‐frequency flow variations caused by dam regulations is important for understanding the biogeochemical processes at the river water and groundwater interfaces. Heat has been widely used as a tracer to infer steady‐state flow velocities through analytical solutions of heat transport defined by the diurnal temperature signals. Under sub‐daily dynamic flow conditions, however, such analytical solutions are not applicable due to the violation of their fundamental assumptions. In this study, we developed a data assimilation‐based approach to estimate the sub‐daily flux under highly dynamic flow conditions using multi‐depth temperature observations at a 5‐min resolution. If the hydraulic gradient is measured, Darcy's law was used to calculate the flux with permeability estimated from temperature responses below the riverbed. Otherwise, flux was estimated directly by assimilating multi‐depth temperature data at 1‐ or 2‐hr time intervals assuming one‐dimensional flow and heat transport governing equation. By comparing estimated fluxes with model‐generated synthetic truth, we demonstrated that both schemes have robust performance in estimating fluxes under highly dynamic flow conditions. This data assimilation‐based flux estimation method was able to capture the vertical sub‐daily fluxes using multi‐depth high‐resolution temperature data alone, even in the presence of multi‐dimensional flow. This approach has been successfully applied to real field temperature data collected at the Hanford site, which experiences highly dynamic HEFs. Our study shows the promise of adopting distributed 1‐D temperature monitoring to capture spatial and temporal exchange dynamics in river corridors at a watershed scale or beyond.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Multichannel Doppler fiber-imager spectrometer for spatiotemporal characterization of high-intensity laser-driven plasmas

Here, we demonstrate a flexible multichannel fiber-based imaging Doppler spectrometer to characterize plasmas in high intensity (≥1 × 10 18 W/cm 2 ) laser-plasma experiments at high repetition rates. This instrument collects data from ×21 different plasma locations combining optical fibers and a single imaging spectrometer. This diagnostic maps the plasma velocity evolution as a function of time with sub-pico-second resolution. Experimental results showing 2D velocity measurements of plasma with 20 μm spatial resolution are presented. Intensities of the order of 10 18 W/cm 2 were used to generate a plasma, while a much less intense, frequency doubled (400 nm), probe beam (10 11 W/cm 2 ) was used to measure the Doppler shift from the plasma critical surface. The instrument can be scaled to a larger number of channels (e.g., 100) still using a single spectrometer.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Design, Build, and Initial Testing of a Portable Methane Measurement Platform

The quantification of methane concentrations in air is essential for the quantification of methane emissions, which in turn is necessary to determine absolute emissions and the efficacy of emission mitigation strategies. These are essential if countries are to meet climate goals. Large-scale deployment of methane analyzers across millions of emission sites is prohibitively expensive, and lower-cost instrumentation has been recently developed as an alternative. Currently, it is unclear how cheaper instrumentation will affect measurement resolution or accuracy. To test this, the Wireless Autonomous Transportable Methane Emission Reporting System (WATCH 4 ERS) has been developed, comprising four commercially available sensing technologies: metal oxide (MOx,), Non-dispersion Infrared (NDIR), integrated infrared (INIR), and tunable diode laser absorption spectrometer (TDLAS). WATCHERS is the accumulated knowledge of several long-term methane measurement projects at Colorado State University’s Methane Emission Technology Evaluation Center (METEC), and this study describes the integration of these sensors into a single unit and reports initial instrument response to calibration procedures and controlled release experiments. Specifically, this paper aims to describe the development of the WATCH 4 ERS unit, report initial sensor responses, and describe future research goals. Meanwhile, future work will use data gathered by multiple WATCH 4 ERS units to 1. better understand the cost–benefit balance of methane sensors, and 2. identify how decreasing instrumentation costs could increase deployment coverage and therefore inform large-scale methane monitoring strategies. Both calibration and response experiments indicate the INIR has little practical use for measuring methane concentrations less than 500 ppm. The MOx sensor is shown to have a logarithmic response to methane concentration change between background and 600 ppm but it is strongly suggested that passively sampling MOx sensors cannot respond fast enough to report concentrations that change in a sub-minute time frame. The NDIR sensor reported a linear change to methane concentration between background and 600 ppm, although there was a noticeable lag in reporting changing concentration, especially at higher values, and individual peaks could be observed throughout the experiment even when the plumes were released 5 s apart. The TDLAS sensor reported all changes in concentration but remains prohibitively expensive. Our findings suggest that each sensor technology could be optimized by either operational design or deployment location to quantify methane emissions. The WATCH4ERS units will be deployed in real-world environments to investigate the utility of each in the future.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

An Asymmetric Dust Ring around a Very Low Mass Star ZZ Tau IRS

We present Atacama Large Millimeter/submillimeter Array (ALMA) gas and dust observations at band 7 (339 GHz: 0.89 mm) of the protoplanetary disk around a very low mass star ZZ Tau IRS with a spatial resolution of 025. The {sup 12}CO J = 3 → 2 position–velocity diagram suggests a dynamical mass of ZZ Tau IRS of ∼0.1–0.3 M {sub ☉}. The disk has a total flux density of 273.9 mJy, corresponding to an estimated mass of 24–50 M {sub ⊕} in dust. The dust emission map shows a ring at r = 58 au and an azimuthal asymmetry at r = 45 au with a position angle of 135°. The properties of the asymmetry, including radial width, aspect ratio, contrast, and contribution to the total flux, were found to be similar to the asymmetries around intermediate mass stars (∼2 M {sub ☉}) such as MWC 758 and IRS 48. This implies that the asymmetry in the ZZ Tau IRS disk shares a similar origin with others, despite the star being ∼10 times less massive. Our observations also suggest that the inner and outer parts of the disk may be misaligned. Overall, the ZZ Tau IRS disk shows evidence of giant planet formation on a ∼10 au scale at a few megayears. If confirmed, it will challenge existing core accretion models in which such planets have been predicted to be extremely hard to form around very low mass stars.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Signatures of large-scale cold fronts in the optically-selected merging cluster HSC J085024+001536

Abstract We represent a joint X-ray, weak-lensing, and optical analysis of the optically-selected merging cluster, HSC J085024+001536, from the Subaru HSC-SSP survey. Both the member galaxy density and the weak-lensing mass map show that the cluster is composed of south-east and north-west components. The two-dimensional weak-lensing analysis shows that the south-east component is the main cluster, and the sub-cluster and main cluster mass ratio is $0.32^{+0.75}_{-0.23}$. The north-west sub-cluster is offset by ∼700 kpc from the main cluster center, and their relative line-of-sight velocity is ∼1300 km s−1 from spectroscopic redshifts of member galaxies. The X-ray emission is concentrated around the main cluster, while the gas mass fraction within a sphere of 1′ radius of the sub-cluster is only $f_{\mathrm{gas}}=4.0^{+2.3}_{-3.3}\%$, indicating that the sub-cluster gas was stripped by ram pressure. An X-ray residual image shows three arc-like excess patterns, of which two are symmetrically located at ∼550 kpc from the X-ray morphological center, and the other is close to the X-ray core. The excess close to the sub-cluster has a cold-front feature where dense-cold gas and thin-hot gas contact. The two outer excesses are tangentially elongated about ∼450–650 kpc, suggesting that the cluster is merged with a non-zero impact parameter. Overall features revealed by the multi-wavelength datasets indicate that the cluster is at the second impact or later. Since the optically-defined merger catalog is unbiased for merger boost of the intracluster medium, X-ray follow-up observations will pave the way to understand merger physics at various phases.

Tanaka, Keigo↗

DOE OSTI2020

Advanced Modular Sub-Atmospheric Hybrid Heat Engine (Final Report)

The Phase 1 Final Technical Report describes the results of the work completed during the “Advanced Modular Sub-Atmospheric Hybrid Heat Engine” project. A key part of the Phase 1 work was the completion of a thermodynamic cycle analysis for the MHHE at the selected module size. The hybrid heat engine has been developed as a modular unit (sized in the range of 500kW – 60MW) that can be used with modular coal or biomass gasifiers, with distributed power generation systems, with large power plants comprised of multiple generating units, and with natural gas compression stations. The MHHE will provide cleaner, more efficient, and lower cost generation with better load following capabilities than existing competing technologies with a singular generating source such as solar farm, gas turbine, or combustion engine. The drivers of the MHHE technology are: benefits of modular power generation (reduced equipment cost, construction cost and implementation time, connection ready on delivery, flexible scalability, serviceability), fuel flexibility, lowest cost power generation and reduced emissions.A logical progression of work and a clear path forward toward meeting the FOA goals and objectives have been established. Namely, a preliminary market analysis and primary fuel identification was completed first and then the modularity of the system was defined. The benefits of the proposed hybrid and modular heat engine were described when applied to modular coal gasifiers, distributed power generators, and larger power plants. Based on the market analysis, modularity, and chosen primary fuel, a conceptual design and layout of the hybrid heat engine was developed, analyzed, and characterized. The technology gaps already identified have been reviewed and expanded upon, and a test plan to address these gaps through bench scale testing in Phase 2 has been developed. Cost estimate methodology and considerations in support of a potential Phase 2 project have been described.

08 HYDROGEN↗

DOE OSTI2023

Resolving Atomic-Scale Structure and Chemical Coordination in High-Entropy Alloy Electrocatalysts for Structure–Function Relationship Elucidation

The recent breakthrough in confining five or more atomic species in nanocatalysts, referred to as high-entropy alloy nanocatalysts (HEAs), has revealed the possibilities of multielemental interactions that can surpass the limitations of binary and ternary electrocatalysts. The wide range of potential surface configurations in HEAs, however, presents a significant challenge in resolving active structural motifs, preventing the establishment of structure-function relationships for rational catalyst design and optimization. Here, we present a methodology for creating sub-5 nm HEAs using an aqueous-based peptide-directed route. Using a combination of pair distribution function and X-ray absorption spectroscopy, HEA structure models are constructed from reverse Monte Carlo modeling of experimental data sets and showcase a clear peptide-induced influence on atomic-structure and chemical miscibility. Coordination analysis of our structure models facilitated the construction of structure-function correlations applied to electrochemical methanol oxidation reactions, revealing the complex interplay between multiple metals that leads to improved catalytic properties. Our results showcase a viable strategy for elucidating structure-function relationships in HEAs, prospectively providing a pathway for future materials design.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Morphological Heterogeneity Impact of Film Solid-State Cathode on Utilization and Fracture Dynamics

Structural heterogeneity in solid-state batteries can impact material utilization and fracture mechanisms. Crystallographically oriented lithium cobalt oxide film cathodes serve as a model electrode system for exploring how void distribution contributes to stress relief and build up during cycling. Real- and reciprocal-space operando and ex situ synchrotron based experiments are utilized to understand structural changes across multiple length scales contribute to stress generation and fracture. Nanotomography uncovers a depth-dependent porosity variation in the pristine electrode and highlights preferential fracture in regions of lower porosity during delithiation. Energy-dispersive X-ray diffraction and 3D X-ray absorption near-edge spectroscopy (XANES) reveal the underutilization of cathode material in these regions. 3D XANES also confirms preferential delithiation near the sub-grain boundaries. Chemo-mechanical modeling coupled with site-specific mechanical characterization demonstrate how stress accumulation in dense regions of the electrode leads to fracture and underutilization of active material. In conclusion, our findings reveal the importance of materials design to alleviate stress in small-volume changing cathodes.

36 MATERIALS SCIENCE↗

DOE OSTI2025

eCounter: Inline Per-IP Network Monitoring at Millisecond Resolution via eBPF

Scientific data acquisition (SciDAQ) systems are shifting from archive-based workflows to streaming paradigms, where real-time, fine-grained network monitoring becomes essential. While P4-enabled devices offer per-packet in-band observability, they require specialized switches and routers. Host-side tools like Prometheus exporters lack sufficient temporal granularity. To bridge this gap, we present eCounter, a lightweight, hardware-agnostic, inline telemetry agent built on extended Berkeley Packet Filter (eBPF). eCounter captures per-interface ingress and egress traffic, categorized by IP address and protocol, at millisecond to sub-millisecond resolution. In a 100 Gbps environment, it continuously exports up to 3,257 time-series bins per second with only 4% CPU utilization at a 35¿KiB/s data rate. We evaluate eCounter across diverse NIC MTU settings, hook types, CPU architectures and operating systems, and observed negligible impact on concurrent high-throughput streaming applications. Complexity analysis confirms that it can be readily scaled to distributed SciDAQ deployments.

Mei, Xinxin [Computational Sciences and Technology↗

DOE OSTI2025

TRACKING LIGNOCELLULOSIC BREAKDOWN BY ANAEROBIC FUNGI AND FUNGAL CELLULOSOMES

Anaerobic fungi degrade plant biomass through invasive, filamentous growth, and the secretion of multi-protein biomass-degrading complexes called fungal cellulosomes. This project developed new tools for anaerobic, non-destructive, real-time imaging of cellulosomes across spatial and temporal scales. Novel nanobody tools were synthesized and deployed to image native fungal cellulosomes. Antibodies raised against key fungal cellulosome components were also used to define the localization patterns of cellulosomes in mature fungal mats vs. fungal zoospores, and revealed direct connections between cellular life stage progression and the regulation of cellulosome production. New procedures were developed to purify native cellulosomes and study their morphology and sub-structures, and genetic engineering tools were also developed and applied to anaerobic fungi to advance in vivo labeling capabilities. A cryoEM structure of a native fungal cellulosome was achieved, as well as a proof of concept for transformation of fungi with flavin-based anaerobic reporter proteins for in vivo labeling of cellulosome components.

09 BIOMASS FUELS↗

DOE OSTI2023

Benchmarking the AirSquared All-Metal Scroll Pump Against the Normetex 15 - Preliminary report

Tritium operations require specialized equipment for material compatibility, safety, and waste considerations. Non-metallic pump materials (polymer, oil, or grease) on a tritium-wetted surface can absorb tritium and/or undergo isotope exchange between tritium and more common protium, creating tritiated compounds that can result in material property modification via beta-radiolysis, inventory loss, reduced performance and special waste considerations, all of which increase the operating cost for a facility. Vacuum pumps move gas via a pressure differential between volumes of an operation. Several types of all-metal vacuum pumps exist for this application including metal bellows, diaphragm and scroll pumps. A metal bellows pump incorporates only metal components at the wetted surfaces. The common metal bellows pump employed in tritium facilities, the MB601 (Senior Metal Bellows, Sharon, PA, USA) creates a gas-motive force with a vacuum pressure between 30-40 torr. These pumps can efficiently move gas from one process step to another, as long as sub-30 torr pressures are not required. However, for higher vacuum demand, an all-metal scroll pump can be used with the bellows pump serving as a “backing” pump. This configuration typically provides an achievable vacuum of less than 20 mTorr. All-metal scroll pumps are a technology uniquely applicable to tritium gas handling. The industry standard all-metal scroll pump for glovebox-scale tritium operations is the Normetex 15 m 3 /hr, typically referred to as the Normetex 15 (Normetex Pompes, Pont Audemer, France). However, the final Normetex pumps were manufactured in 2012, rendering them no longer available. Eumeca SaRL (formerly Normetex) has developed and is marketing a scroll pump based on the design of the Normetex 15. A US company, AirSquared (Broomfield, Colorado), has developed and is marketing a potential alternative to the Normetex 15. The Gas Transfer Systems group (Q-7) of the Los Alamos National Laboratory (LANL) procured serial number 0001 of the AirSquared All Metal Vacuum Scroll pump model number V16H034A-C01 in 2019. The LANL Hydrogen Processing Laboratory (HPL) has been evaluating the performance of the pump compared to a Normetex pump as a potential replacement in tritium and fusion facilities requiring this type of pump.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Printed Targets with Micron-Scale Feature Patterns for the Study of Ablator Defects on OMEGA

As per present models, laser imprint and implosion symmetry are insufficient to account for observed performance degradation of direct-drive cryogenic fusion implosions. More and better data are needed on ablator defects as a source of hydrodynamic instability and mix. To investigate this, a series of OMEGA experimental campaigns is underway to study isolated target defects. Key requirements are systematic variation of the laser intensity and pulse shape at shot, with highly controlled defect type, geometry, and location. Here, given the need for sub-micron resolution and precise registration of multiple features, two-photon polymerization (TPP) printing was identified as an ideal method to fabricate these targets. TPP printing has enabled controlled formation of designed domes, divots, and vacuoles for studying the combined effect of size and proximity of these features on the hydro performance.

Two-photon polymerization printing↗

DOE OSTI2025

Innovative Symmetrical Electrolyte Architecture Enables Ultra-Flat and Thermal Resilient Protonic Ceramic Electrochemical Cells

Protonic ceramic electrochemical cells (PCECs) represent a promising class of solid‐state energy conversion devices capable of high‐efficiency hydrogen production and power generation. However, the practical deployment of planar PCECs is fundamentally constrained by severe structural deformation and mechanical failure during fabrication, stemming from asymmetric shrinkage between the thin electrolyte and the thick NiO‐based support layer. Here, in this work, a functionally integrated, symmetry‐engineered double‐sided electrolyte (DE) design is unveiled, which not only suppresses thermally induced curvature but also unlocks significant gains in electrochemical performance and stability. This architecture intrinsically balances shrinkage dynamics across the cell bilaterally, enabling the fabrication of ultra‐flat 5 × 5 cm 2 cells with sub‐100 µm thickness variation. A numerical solid mechanics simulation is introduced to investigate and interpret this achievement. Beyond structural advantages, the DE configuration enhances the cell operational stability, delivering a low open‐circuit voltage degradation of 9.5 mV/100 h across 80 thermal cycles. This work establishes a compelling paradigm wherein architectural symmetry directly translates to both mechanical fidelity and functional enhancement, offering a promising route toward PCECs scale‐up.

08 - HYDROGEN↗

DOE OSTI2024

Correlative X-ray micro-nanotomography with scanning electron microscopy at the Advanced Light Source

Geological samples are inherently multi-scale. Understanding their bulk physical and chemical properties requires characterization down to the nano-scale. A powerful technique to study the three-dimensional microstructure is X-ray tomography, but it lacks information about the chemistry of samples. To develop a methodology for measuring the multi-scale 3D microstructure of geological samples, correlative X-ray micro- and nanotomography were performed on two rocks followed by scanning electron microscopy with energy-dispersive spectroscopy (SEM-EDS) analysis. The study was performed in five steps: (i) micro X-ray tomography was performed on rock sample cores, (ii) samples for nanotomography were prepared using laser milling, (iii) nanotomography was performed on the milled sub-samples, (iv) samples were mounted and polished for SEM analysis and (v) SEM imaging and compositional mapping was performed on micro and nanotomography samples for complimentary information. Correlative study performed on samples of serpentine and basalt revealed multiscale 3D structures involving both solid mineral phases and pore networks. Significant differences in the volume fraction of pores and mineral phases were also observed dependent on the imaging spatial resolution employed. This highlights the necessity for the application of such a multiscale approach for the characterization of complex aggregates such as rocks. Information acquired from the chemical mapping of different phases was also helpful in segmentation of phases that did not exhibit significant contrast in X-ray imaging. Adoption of the protocol used in this study can be broadly applied to 3D imaging studies being performed at the Advanced Light Source and other user facilities.

58 GEOSCIENCES↗

DOE OSTI2021

Decentralized Voltage Control of Large-Scale Distribution System with PVs Based on MADRL

This paper proposes a model-free decentralized control framework for the voltage regulation of large-scale distribution systems through the coordinated control of PV inverters. This is achieved by developing a novel interaction mechanism between the surrogate model and the centralized training and decentralized execution multiagent deep reinforcement learning framework. Specifically, the sparse Gaussian processes regression method is first utilized to develop the surrogate model of the original distribution system for reward calculation during the training stage, where each agent represents a sub-region in the centralized fashion for coordination strategy learning. After that, the learned control rules are used to inform controllers within each sub-region for real-time decisions with only local measurements. Comparative tests among various methods on the EPRI Ckt5 test system demonstrate the effectiveness of the proposed method.

distribution system↗

DOE OSTI2024

Towards UV-Models of Kinetic Mixing and Portal Matter VII: A Light Dark Photon in the 3c3L1A1B Model

The kinetic mixing (KM) portal, by which the Standard Model (SM) photon mixes with a light dark photon arising from a new U(1)DU(1)D gauge group, allows for the possibility of viable scenarios of sub-GeV thermal dark matter (DM) with appropriately suppressed couplings to the SM. This KM can only occur if particles having both SM and dark quantum numbers, here termed portal matter (PM), also exist. The presence of such types of states and the strong suggestion of a need to embed U(1)DU(1)D into a non-abelian gauge structure not too far above the TeV scale based on the RGE running of the U(1)DU(1)D gauge coupling is potentially indicative of an enlarged group linking together the visible and dark sectors. The gauge group G=SU(3)c×SU(3)L×U(1)A×U(1)B=3c3L1A1BG=SU(3)c×SU(3)L×U(1)A×U(1)B=3c3L1A1B is perhaps the simplest setup wherein the SM and dark interactions are partially unified in a non-abelian fashion that is not a simple product group of the form G=GSM×GDG=GSM×GD encountered frequently in earlier work. The present paper describes the implications and phenomenology of this type of setup.

Rizzo, Thomas G. [SLAC National Accelerator Labora↗

DOE OSTI2025

15 years of spin-echo spectroscopy at SNS-NSE: Looking back and looking forward

High-resolution neutron spin echo (NSE) spectroscopy offers unique insights into the mobility of molecular (sub)structures excited by thermal fluctuations (i.e., Brownian motion) of “soft matter” as polymers in solution and in the melt, in biological matter (e.g., protein motions), membranes, and glasses. The ability to tag substructures using H, D contrast variation to resolve the relevant timescales of dynamics on selected molecular items in liquids, soft matter, and melts is a significant advantage of NSE. Also slow magnetic fluctuations on molecular length scales in the range of nanoseconds, e.g., in spin glasses or topological spin structures, can be accessed. This paper reviews the highlights and peculiarities of the SNS-NSE, based at the pulsed neutron source SNS, during its first 1.5 decades of operation. An outlook and perspectives of research in the domain of high-resolution spectroscopy is given.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Radiative Defects in Chloride-Activated CdSe Thin Films

Defect recombination limits wide-gap Se-based chalcogenide devices, yet how chloride activation reshapes radiative pathways remains unclear. Here we show that a 40 min CdCl 2 anneal converts evaporated CdSe from porous nanograins into dense micrometer-scale polycrystals and sharpens the optical band edge, reducing the Urbach energy from 85 to 17 meV at 300 K. Combining temperature- and fluence-dependent photoluminescence (PL), time-resolved PL, hyperspectral mapping, and hybrid-DFT, we resolve three emissive channels and identify their mechanisms. The near-edge band is excitonic at low temperature and evolves into free-carrier emission at elevated temperature. A sub-gap band at E g −0.45 eV requires above-gap carriers and thermally quenches with a 0.16 eV activation energy. A broad ∼1.05 eV infrared band is excited by above- and below-gap photons and retains microsecond lifetimes at room temperature; patial mapping links it to edge-rich microstructure. Calculations suggest selenium-vacancy and cadmium-vacancy−chlorine complexes, pointing to routes to suppress defect-related losses in wide-gap chalcogenide devices.

Abudulimu, Abasi [Univ. of Toledo, OH (United Stat↗