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DOE OSTI2022

Three-Dimensional Convective–Stratiform Echo-Type Classification and Convectivity Retrieval from Radar Reflectivity

The Echo Classification from COnvectivity (ECCO) algorithm identifies convective and stratiform types of radar echo in three dimensions. It is based on the calculation of reflectivity texture—a combination of the intensity and the heterogeneity of the radar echoes on each horizontal plane in a 3D Cartesian volume. Reflectivity texture is translated into convectivity, which is designed to be a quantitative measure of the convective nature of each 3D radar grid point. It ranges from 0 (100% stratiform) to 1 (100% convective). By thresholding convectivity, a more traditional qualitative categorization is obtained, which classifies radar echoes as convective, mixed, or stratiform. In contrast to previous algorithms, these echo-type classifications are provided on the full 3D grid of the reflectivity field. The vertically resolved classifications, in combination with temperature data, allow for subclassifications into shallow, mid-, deep, and elevated convective features, and low, mid-, and high stratiform regions—again in three dimensions. The algorithm was validated using datasets collected over the U.S. Great Plains during the PECAN field campaign. An analysis of lightning counts shows ~90% of lightning occurring in regions classified as convective by ECCO. A statistical comparison of ECCO echo types with the well-established GPM radar precipitation-type categories show 84% (88%) of GPM stratiform (convective) echo being classified as stratiform (convective) or mixed by ECCO. ECCO was applied to radar grids for the continental United States, the United Arab Emirates, Australia, and Europe, illustrating its robustness and adaptability to different radar grid characteristics and climatic regions.

Radars/Radar observations↗

DOE OSTI2021

Convergence of micro-geochemistry and micro-geomechanics towards understanding proppant shale rock interaction: A Caney shale case study in southern Oklahoma, USA

As a direct outcome of economic development coupled with an increase in population, global energy demand will continue to rise in the coming decades. Although renewable energy sources are increasingly investigated for optimal production, the immediate needs require focus on energy sources that are currently available and reliable, with a minimal environmental impact; the efficient exploration and production of unconventional hydrocarbon resources is bridging the energy needs and energy aspirations, during the current energy transition period. The main challenges are related to the accurate quantification of the critical rock properties that influence production, their heterogeneity and the multiscale driven physico-chemical nature of rock–fluid interactions. A key feature of shale reservoirs is their low permeability due to dominating nanoporosity of the clay-rich matrix. As a means of producing these reservoirs in a cost-effective manner, a prerequisite is creation of hydraulic fracture networks capable of the highest level of continued conductivity. Fracturing fluid chemical design, formation brine geochemical composition, and rock mineralogy all contribute to swelling-induced conductivity damage. The Caney Shale is an organic-rich, often calcareous mudrock. Many studies have examined the impact that clay has on different kinds of shale productivity but there is currently no data reported on the Caney Shale in relation to horizontal drilling; all reported data on the Caney Shale is on vertical wells which are shallow, compared to an emerging play that is at double the depth. Here, in this work we develop geochemical–geomechanical integration of rock properties at micro-and nanoscales that can provide insights into the potential proppant embedment and its mitigation. The novel methodology amalgamates the following: computed X-ray tomography, scanning electron microscopy, energy dispersive spectroscopy, micro-indentation, and Raman spectroscopy techniques. Here, our results show that due to the multiscale heterogeneity in the Caney Shale, these geochemical and structural properties translate into a variation in mechanical properties that will impact interaction between the proppant and the host shale rock.

03 NATURAL GAS↗

DOE OSTI2024

Establishing coherent momentum-space electronic states in locally ordered materials

Rich momentum-dependent electronic structure naturally arises in solids with long-range crystalline symmetry. Reliable and scalable quantum technologies rely on materials that are either not perfect crystals or non-crystalline, breaking translational symmetry. This poses the fundamental questions of whether coherent momentum-dependent electronic states can arise without long-range order, and how they can be characterized. Here we investigate Bi 2 Se 3 , which exists in crystalline, nanocrystalline, and amorphous forms, allowing direct comparisons between varying degrees of spatial ordering. Through angle-resolved photoemission spectroscopy, we show for the first time momentum-dependent band structure with Fermi surface repetitions in an amorphous solid. The experimental data is complemented by a model that accurately reproduces the vertical, dispersive features as well as the replication at higher momenta in the amorphous form. These results reveal that well-defined real-space length scales are sufficient to produce dispersive band structures, and that photoemission can expose the imprint of these length scales on the electronic structure.

36 MATERIALS SCIENCE↗

DOE OSTI2020

The functional roles of species in metacommunities, as revealed by metanetwork analyses of bird–plant frugivory networks

Abstract Understanding how biodiversity and interaction networks change across environmental gradients is a major challenge in ecology. We integrated metacommunity and metanetwork perspectives to test species’ functional roles in bird–plant frugivory interactions in a fragmented forest landscape in Southwest China, with consequences for seed dispersal. Availability of fruit resources both on and under trees created vertical feeding stratification for frugivorous birds. Bird–plant interactions involving birds feeding only on‐the‐tree or both on and under‐the‐tree (shared) had a higher centrality and contributed more to metanetwork organisation than interactions involving birds feeding only under‐the‐tree. Moreover, bird–plant interactions associated with large‐seeded plants disproportionately contributed to metanetwork organisation and centrality. Consequently, on‐the‐tree and shared birds contributed more to metanetwork organisation whereas under‐the‐tree birds were more involved in local processes. We would expect that species’ roles in the metanetwork will translate into different conservation values for maintaining functioning of seed‐dispersal networks.

Li, Hai‐Dong↗

DOE OSTI2023

Determining the Effects of Neutron Irradiation on the Structural Integrity of Additively Manufactured Heat Exchangers for Very Small Modular Reactor Applications, DOE Final Report (Project # 19-16980)

Auburn University (AU) teamed with the University of Missouri Research Reactor (MURR) and Kansas State University (KSU) to determine how to best use laser-powder bed fusion (L-PBF) additive manufacturing (AM) methods for generating radiation resistant nickel-based superalloys, Inconel alloy 625 and 718, for special purpose reactor (SPR) or very small modular reactor (vSMR) heat-exchangers (HeXs). Compact, conformal, and durable HeXs that are tolerant of extreme environments are needed for supporting the technical maturity of next-generation, portable compact reactors. AM is an enabler for realizing this new wave of HeXs – providing a means to make customizable hot and cold stream architectures with novel flow path geometries (e.g., tortuous channels with non-uniform, asymmetric cross-sections) and reduced layer-to-layer contact resistance (i.e., no separate bonding procedure required). AM further enables a more time/cost efficient means for fabricating SPRs by reducing the number of suppliers required for HeX assembly and allowing for on-site HeX fabrication. The project aim has been to better understand how neutron irradiation affects the microstructure and properties of additively manufactured nickel-based superalloys, to accelerate their safe, reliable use in the modular reactor industry. The major objective was to qualify/quantify the microstructure and microhardness of nickel-based superalloys (including Inconel 718 and 625) additively manufactured via the L-PBF process in the neutron-dosed (irradiated) and non-irradiated states over a course of 3 years. Effects of build orientation during L-PBF and post-AM heat treatments on neutron resistance, microstructure and mechanical properties were also investigated. Neutron damage mechanisms via hardening were characterized. This project combined subject-matter experts in AM, mechanical/microstructure metallic part characterization, and neutron irradiation, as well as unique assets and capabilities at AU and MURR at MU, to ensure project results translated to effectively addressing known gaps in nuclear science and engineering. Parts were fabricated using L-PBF systems readily available at AU. Specimens were then irradiated using MURR facilities; a manipulator equipped hot cell was also used to measure material hardness after dosing. MURR, a 10 MW, light-water nuclear reactor, is the largest, highest powered, highest-flux university owned research reactor in the U.S. The major findings in this project provide evidence that AM can serve as an alternative way to build structural components for future advanced small modular reactors using advanced materials like Inconel 625 (IN625) or Inconel 718 (IN718). After full spectrum neutron irradiation, vertically as-built AM IN625 samples were observed to display better resistance towards radiation-induced-hardening defects relative to traditionally machined metals. A Vickers microhardness tester, using settings of 1 kgf and dwell time of 15 seconds per indentation, was used to measure hardness in this study. The as-built, vertically printed samples experienced 1.2% of radiation hardening vs. 5.25% radiation hardening observed in wrought IN625. Another set of IN625 and IN718 samples were exposed to fast neutron irradiation. It was observed that IN718 showed more resistance towards radiation hardening compared to IN625 samples indicating IN718 had a better performance. Results showed that the IN718 samples experienced less change (-2.5 to 3.24 %) in microhardness. On the other hand, IN625 samples underwent more (0.9 to 7.21%) change in microhardness after fast neutron irradiation. AM IN625 samples were irradiated using an ion (proton) beam in cyclotron. The mechanical properties of AM samples post irradiation were compared with wrought samples. The irradiated region on the samples were tested using nano-hardness indention. It was observed that the beam current and time used in this study generated an annealing effect and thus reduced the hardness of the samples. The sum of the project results provide precious insight into how one may minimize radiation hardening in AM materials while maintaining material property constraints. Results should assist engineers in selecting an appropriate heat treatment for AM nickel-based superalloys for increased radiation resistance. Results should increase confidence levels for adopting AM for building nuclear reactor components which perform the same or better than conventionally manufactured components. Fast neutron irradiation testing provided an accelerated means of obtaining radiation effects without making materials radioactive and difficult to handle.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2021

Lithium indium diselenide — An advanced material for neutron detection

Here, this paper describes the synthesis, crystal growth, detector fabrication, radiation hardening studies, MCNP modeling, and characterization of lithium indium diselenide or LiInSe 2 . This newly-developed room temperature thermal neutron detector has semiconducting and scintillating properties and it is suitable for neutron detection application. LiInSe 2 was synthesized starting from elemental Li, In, Se in two steps due to high reactivity of Li. A single crystal of LiInSe 2 was grown using the Vertical Bridgman method. The room temperature band gap was found to be 2.8 eV using optical absorption measurements. Bulk resistivity was measured at ∼5 × 10 11 Ωcm. Photoconductivity measurements of LiInSe 2 wafers identified a peak in the photocurrent around 445 nm. Nuclear radiation detectors were fabricated from single crystal wafer and the responses to alpha particles at various biases were measured. The mobility-lifetime product was estimated. Gamma irradiation studies were performed with calculated absorbed doses ranging from 0.2126 to 21,262 Gy. The characterization of the two wafers for their scintillator performance was conducted after each irradiation. The gamma irradiation produced a reduction of the light yield that translated to a lower channel number for the centroid of alpha detection spectra. It also showed a considerable reduction of the decay time after the first irradiation. These are the first studies on gamma radiation hardening with this material.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2023

Feasibility of raised inner strike point equilibria scenario in ITER for detritiation from beryllium co-deposits

Abstract In ITER, tritium retention primarily occurs through co-deposition with beryllium. To avoid exceeding the strict tritium inventory limit, efficient tritium recovery techniques are essential. Baking is the ITER baseline for tritium recovery, but its effectiveness in removing tritium from thick beryllium layers is limited. A raised strike point scenario is considered an alternative method for removing tritium from the ITER inner vertical divertor target by heating components via plasma flux. This paper presents SOLPS-ITER code simulations conducted under various conditions, assessing the divertor performance and tritium outgassing of the raised strike point scenario. As the strike point is raised, recycled neutrals are not efficiently baffled by the dome and scrape-off layer, significantly changing the neutral trajectory and ionization source distribution. This improves detachment accessibility but worsens core-edge compatibility compared to the baseline scenario. However, in the partially detached condition, the impact of raising the strike point, perpendicular transport, and q 95 on target heat flux is not significant, as it primarily scales with the input power. Target heat flux is translated to target surface temperature using a simplified heat transfer model that considers the 3D target monoblock geometry and active cooling condition, excluding Be layer thermal properties. For partially detached divertor conditions, the bulk tungsten monoblock surface temperature remains below the baking temperature, which is insufficient for efficient tritium outgassing under the actively cooled ITER divertor condition. However, considering the potential thermal contact resistance between the beryllium and tungsten layers, which may significantly impact temperature distribution, the temperature of the beryllium layer can be raised to a level sufficient for efficient tritium outgassing. Therefore, the raised strike point scenario can be considered as an alternative in-vessel tritium removal technique.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

A hybrid 3D/2D field response calculation for liquid argon detectors with PCB based anode plane

Liquid Argon Time Projection Chamber (LArTPC) technology is commonly utilized in neutrino detector designs. It enables detailed reconstruction of neutrino events with high spatial precision and low energy threshold. Its field response (FR) model describes the time-dependent electric currents induced in the anode-plane electrodes when ionization electrons drift nearby. An accurate and precise FR is a crucial input to LArTPC detector simulations and charge reconstruction. Established LArTPC designs have been based on parallel wire planes. It allows accurate and computationally economic two-dimensional (2D) FR models utilizing the translational symmetry along the direction of the wires. Recently, novel LArTPC designs utilize electrodes formed on printed circuit board (PCB) in the shape of strips with through holes. The translational symmetry is no longer a good approximation near the electrodes and a new FR calculation that employs regions with three dimensions (3D) has been developed. Extending the 2D models to 3D would be computationally expensive. Fortuitously, the nature of strips with through holes allows for a computationally economic approach based on the finite-difference method (FDM). In this paper, we present a new software package pochoir that calculates LArTPC field response for these new strip-based anode designs. This package combines 3D calculations in the volume near the electrodes with 2D far-field solutions to achieve fast and precise field response computation. We apply the resulting FR to simulate and reconstruct samples of cosmic-ray muons and 39 Ar decays from a Vertical Drift (VD) detector prototype operated at CERN. We find the difference between real and simulated data within 5%. Current state-of-the-art LArTPC software requires a 2D FR which we provide by averaging over one dimension and estimate that variations lost in this average are smaller than 7%.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Supercooled Liquid Water Detection Capabilities from Ka-Band Doppler Profiling Radars: Moment-Based Algorithm Formulation and Assessment

The occurrence of supercooled liquid water in mixed-phase cloud (MPC) affects their cloud microphysical and radiative properties. The prevalence of MPCs in the mid- and high latitudes translates these effects to significant contributions to Earth’s radiative balance and hydrological cycle. The current study develops and assesses a radar-only, moment-based phase partition technique for the demarcation of supercooled liquid water volumes in arctic, MPC conditions. The study utilizes observations from the Ka band profiling radar, the collocated high spectral resolution lidar, and ambient temperature profiles from radio sounding deployments following a statistical analysis of 5.5 years of data (January 2014–May 2019) from the Atmospheric Radiation Measurement observatory at the North Slope of Alaska. The ice/liquid phase partition occurs via a per-pixel, neighborhood-dependent algorithm based on the premise that the partitioning can be deduced by examining the mean values of locally sampled probability distributions of radar-based observables and then compare those against the means of climatologically derived, per-phase probability distributions. Analyzed radar observables include linear depolarization ratio (LDR), spectral width, and vertical gradients of reflectivity factor and radial velocity corrected for vertical air motion. Results highlight that the optimal supercooled liquid water detection skill levels are realized for the radar variable combination of spectral width and reflectivity vertical gradient, suggesting that radar-based polarimetry, in the absence of full LDR spectra, is not as critical as Doppler capabilities. The cloud phase masking technique is proven particularly reliable when applied to cloud tops with an Equitable Threat Score (ETS) of 65%; the detection of embedded supercooled layers remains much more uncertain (ETS = 27%).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

A Genome-Scale Atlas Reveals Complex Interplay of Transcription and Translation in an Archaeon

The scale of post-transcriptional regulation and the implications of its interplay with other forms of regulation in environmental acclimation are underexplored for organisms of the domain Archaea. Here, we have investigated the scale of post-transcriptional regulation in the extremely halophilic archaeon Halobacterium salinarum NRC-1 by integrating the transcriptome-wide locations of transcript processing sites (TPSs) and SmAP1 binding, the genome-wide locations of antisense RNAs (asRNAs), and the consequences of RNase_2099C knockout on the differential expression of all genes. This integrated analysis has discovered that 54% of all protein-coding genes in the genome of this haloarchaeon are likely targeted by multiple mechanisms for putative post-transcriptional processing and regulation, with about 20% of genes likely being regulated by combinatorial schemes involving SmAP1, asRNAs, and RNase_2099C. Comparative analysis of mRNA levels (transcriptome sequencing [RNA-Seq]) and protein levels (sequential window acquisition of all theoretical fragment ion spectra mass spectrometry [SWATH-MS]) for 2,579 genes over four phases of batch culture growth in complex medium generated additional evidence for the conditional post-transcriptional regulation of 7% of all protein-coding genes. We demonstrate that post-transcriptional regulation may act to fine-tune specialized and rapid acclimation to stressful environments, e.g., as a switch to turn on gas vesicle biogenesis to promote vertical relocation under anoxic conditions and modulate the frequency of transposition by insertion sequence (IS) elements of the IS200/IS605, IS4, and ISH3 families. Findings from this study are provided as an atlas in a public Web resource (https://halodata.systemsbiology.net).

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Comparing Occupant Light Exposure in Factory and Office Spaces

There is an increasing desire to provide healthy workplace environments that better serve people while minimizing the impact on the planet. Building recommendations help designers to incorporate the latest research and best practices, but translating research studies conducted in different settings to broader recommendations is challenging. This is particularly true for lighting, with researchers continuing to learn more about circadian, neuroendocrine, and neurobehavioral responses to light. The recommendations are regularly adjusting to incorporate the latest research as well as feedback from practitioners implementing these recommendations. There remains a need to better document the actual light exposure that people experience over the course of a day and across seasons, so that researchers can better understand the influence of light on people and recommendations can be refined. Thankfully, advances in sensor technology are making this more possible than ever. PNNL collaborated with ETC Inc. to understand actual occupant light exposure in factory and office spaces at ETC’s Headquarters in Middleton, WI. The primary building at ETC headquarters opened in 2004 and houses approximately 800 employees that contribute to central business functions, customer support, research and development, as well as the company’s primary 60,000 ft2 manufacturing facility. Vertical light exposure measurements including electric light and daylight were recorded in factory, research and development, and office work areas at occupant eye height. This document will focus on lighting measurements collected in six factory and office locations across work location, season, and time of day. Ultimately, detailed lighting measurements can be coupled with employee surveys to support development of satisfactory work environments.

42 ENGINEERING↗

DOE OSTI2025

Warm-phase microphysical evolution in large-eddy simulations of tropical cumulus congestus: evaluating drop size distribution evolution using polarimetry retrievals, in situ measurements, and a thermal-based framework

Owing to uncertainties in convective microphysics processes, improving parameterizations in Earth system models (ESMs) can benefit from observationally constrained cases suitable for scaling between cloud-resolving models and ESMs. We propose a benchmark large-eddy simulation (LES) cumulus congestus case study from the NASA Cloud, Aerosol, and Monsoon Processes Philippines Experiment (CAMP 2 Ex) for evaluating and improving ESMs in single-column model (SCM) mode. We seek observational constraints using novel polarimetric retrievals and in situ cloud microphysics measurements. Simulations using bulk and bin microphysics initialized with observed aerosol profiles are compared to cloud-top retrievals of cloud droplet effective radius (R eff ), effective variance (ν eff ), and number concentration (N d ) from the airborne Research Scanning Polarimeter (RSP). Both schemes reproduce characteristics of cloud-top N d and R eff that increase and decrease with altitude, respectively. Cloud-top N d is low-biased relative to RSP retrievals in both schemes, potentially due to limitations in both simulations and retrieval assumptions. Cloud-top R eff is low-biased in the bulk scheme but reasonably reproduced by the bin scheme. Profiles of N d and R eff are sensitive to the collision–coalescence process and the vertical variation in aerosol size distribution. Comparison of simulated and in situ droplet size distributions (DSDs) shows that, to first order, integrated moments are always sensitive to sizes < ~ 30 µm and can also be sensitive to larger sizes if the DSDs are sufficiently broad, with implications for the assumed maximum observed size retrieved by the RSP. The bin scheme captures the observed extended tail of the DSD, while the bulk scheme is unable to due to parametric constraints. Differences in expected relationships between in situ measurements of cloud cores and cloud-top retrievals by RSP demonstrate difficulty in constraining well the case presented herein. Finally, a thermal-tracking framework demonstrates that the dilution of N d throughout a thermal's lifetime is heavily determined by collision–coalescence and the height-varying aerosol distribution and that, in the absence of these, the impact of entrainment on diluting N d is largely offset by secondary activation. Implications for evaluating warm-phase convective microphysics schemes in ESMs and translating results for use on global, space-based polarimetry platforms are discussed.

Stanford, McKenna Wallace [Columbia Univ., New Yor↗

DOE OSTI2023

Density variance dynamics in disparate shock tubes

This report discusses two experiments which investigate thin layer, heavy curtain fragmentation from the perspective of a Reynolds-Averaged mix model, in drastically disparate experimental regimes. The first, the centimeter/millisecond-scale “Horizontal Shock Tube” (HST) is a compressed-gas piston-driven shock tube experiment. The second, the “Multishock thin layer” (Mshock) experiment performed at the National Ignition Facility, is a micrometer/nanosecond-scale laser-driven shock tube experiment. Both are situations in which a heavy plane layer (a ‘curtain’) is initially suspended in a lighter medium. After being shocked from at least one side, the layer translates while its interfaces evolve due to the excitation of the Richtmyer-Meshkov instability at its surfaces. The evolution of density variance, which initially exists only on the surface of the layer, as it comes to encompass the whole layer interior is used as a description of layer fragmentation and dissolution. These experiments have each been simulated in the Los Alamos National Laboratory multi-physics code xRAGE, which includes fundamental hydrodynamics, extended plasma physics and radiation effects which are important to drive the high-energy density experiment, and the Besnard-Harlow-Rauenzahn (BHR) turbulence model. In each, the principal diagnostic for comparison is an experimental metric for the density (co)variance, b, which tracks the moments of the density field at the curtain interfaces and body. Due to experimental constraints in different regimes (i.e. optical diagnostics can be deployed on conventional shock tubes, while the plasma shock tubes must be imaged by x-rays; interfaces can be imposed to specification on laser-driven experiments, which are stored in the solid phase, while conventional experiments have imperfect control of the flow fields which separate the layer, etc.) the experiments are not designed to be perfect scaled cognates of one another. However, despite the separation of six orders of magnitude of scaling in time, and four in space, we are able to demonstrate that the same turbulence model, operating in the same fashion in the same computer code, is able to reproduce results in each experiment, by tracking evolution due to common relevant physics. Additionally, we will present preliminary work toward density variance comparisons in a single-interface Richtmyer-Meshkov configuration, the conventional fluid “Vertical Shock Tube” (VST) experiment, and the Modal Initial Conditions (ModCons) campaign fielded at the OMEGA-EP laser facility.

42 ENGINEERING↗