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DOE OSTI2022

Evaluating HPC Kernels for Processing in Memory

Memory subsystems contribute significantly to the performance and energy efficiency of high-performance computing (HPC) applications. Traditional memory technologies with conventional organization (e.g., DRAM) are struggling to keep up with the increasing memory requirements of modern applications. Techniques such as multilayer cache hierarchy and out-of-order execution are still falling short of mitigating the penalty incurred by memory accesses. Processing-in-memory (PIM), which involves moving memory-intensive kernels to memory for execution instead of bringing the data to the processing unit, is emerging as a promising technique. PIM has recently received traction among computer architecture researchers, and the increasing research activity surrounding this technique indicates its potential to alleviate main memory performance bottlenecks. In this paper, we characterize and identify memory-intensive HPC kernels, perform a first-order evaluation of the PIM technique for selected HPC kernels, quantify performance deviation, and analyze the key factors that affect PIM efficiency.

Asifuzzaman, Kazi↗

DOE OSTI2020

How “hot” are hotspots: Statistically localizing the high-activity areas on soil and rhizosphere images

The topic of microbial hotspots in soil requires not only visualizing their spatial distribution and biochemical analyses, but also statistical approaches to identify these hotspots and separate them from the surrounding activities (background). We hypothesized that each hotspot type (e.g. enzyme activities in the rhizosphere, root exudation, localization of herbicide accumulation) is a result of local process driven by biotic and/or abiotic factors, and the process rates in the hotspots are much faster than those in the soil background. We further hypothesized that the background and hotspot activities in soil belong to different statistical distributions. Consequently, hotspot determination should be based on statistical separation of activities significantly higher than the background. We analyzed for the statistical distributions of grey values on three groups of published images: 1) 14 C images of carbon input by roots into the rhizosphere, 2) 14 C glyphosate accumulation in the plant, and 3) zymogram of leucine aminopeptidase activity in rooted soil. The two Gaussian distributions were fit (the first representing the background, the second the hotspots) to the distribution of grey values in the images, the parameters (means and standard deviations, SD) of the fitted distributions were calculated, and the background was removed. Thus, we identified hotspots as areas outside of the Mean+2SD image intensity (corresponding to the upper ~ 2.5% of activity, being over 97.5% of background values) and finally, visualized images of solely hotspot locations. Finally, these results were compared with previously used decisions on hotspot intensity thresholding (i.e. Top-25% and 17 standard thresholding approaches in ImageJ) and discussed the advantages of the Mean+2SD as well as Mean+3SD approaches. These advantages include: i) simple unification of the thresholding approach for several imaging methods with various principles of activity distribution, ii) identification of hotspots with various activity levels, iii) analysis of “time-specific” hotspots in temporal sequences of images. Compared with 17 standard thresholding methods, we concluded that objectively elucidating and separating the hotspots should be based on statistical distribution analysis, e.g. using the Mean+2SD or Mean+3SD approaches. Furthermore, this simple Mean+2SD approach delivered suitable results for three groups of images and so, helps to understand the processes responsible for the highest activities and elucidate hotspots.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Methane flux from transplanted soil monoliths depends on moisture, but not origin

Soils both produce and consume methane (CH 4 ), a potent greenhouse gas that contributes to climate change. In coastal forests, upland soils are shifting from being CH 4 sinks to sources as sea levels rise, increasingly flooding soils with little prior inundation history. Ecosystem CH 4 budgets are highly uncertain due in part to the difficulty in separating fluxes measured at the soil surface into individual production and consumption processes which are likely to have different responses to future environmental conditions. Here, we measured growing season CH 4 fluxes from soil monoliths transplanted four years prior along an inundation and salinity gradient to determine how changes in abiotic conditions control CH 4 flux rates. To parse net fluxes measured at the soil surface into their component gross rates, we paired field measurements with a stable isotope pool dilution incubation of surface soils. Throughout the growing season, net soil surface CH 4 flux was positively correlated with soil moisture (p < 0.01), with lowland-located soils tending towards CH 4 sources (mean 0.349 ± 1.11 mg CH 4 -C m -2 hr -1 , error is standard deviation) and upland-located soils tending towards CH 4 sinks (-0.003 ± 0.003 mg CH 4 -C m -2 hr -1 ). Transplanted soils’ fluxes were statistically identical to their native neighbors once microtopography-driven differences in soil moisture were controlled for. The pool dilution experiment revealed that production and consumption rates were similar in upland and lowland surface soils (2.82 ± 3.29 µmol CH 4 g -1 dry soil d -1 production, 3.47 ± 2.03 µmol CH 4 g -1 dry soil d -1 consumption), indicating the majority of production likely occurs at depth in lowland soils. Both gross and net fluxes from transplanted soils showed no effect of soil origin after four years, suggesting low resistance of CH 4 cycling to global change drivers. Our results indicate the strength of the coastal forest CH 4 sink is likely to decrease in proportion to sea-level rise.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Spatially resolved gas and stellar kinematics in compact starburst galaxies

The kinematics of galaxies provide valuable insights into their physics and assembly history. Kinematics are governed not only by the gravitational potential, but also by merger events and stellar feedback processes such as stellar winds and supernova explosions. We aim to identify what governs the kinematics in a sample of SDSS-selected nearby starburst galaxies, by obtaining spatially resolved measurements of the gas and stellar kinematics. We obtained near-infrared integral-field K-band spectroscopy with VLT/SINFONI for 15 compact starburst galaxies. We derived the integrated as well as spatially resolved stellar and gas kinematics. The stellar kinematics were derived from the CO absorption bands, and Paα and Brγ emission lines were used for the gas kinematics. Based on the integrated spectra, we find that the majority of galaxies have gas and stellar velocity dispersion that are comparable. A spatially resolved comparison shows that the six galaxies that deviate show evidence for a bulge or stellar feedback. Two galaxies are identified as mergers based on their double-peaked emission lines. In our sample, we find a negative correlation between the ratio of the rotational velocity over the velocity dispersion (v rot /σ) and the star formation rate surface density. We propose a scenario where the global kinematics of the galaxies are determined by gravitational instabilities that affect both the stars and gas. This process could be driven by mergers or accretion events. Effects of stellar feedback on the ionised gas are more localised and detected only in the spatially resolved analysis. The mass derived from the velocity dispersion provides a reliable mass even if the galaxy cannot be spatially resolved. The technique used in this paper is applicable to galaxies at low and high redshift with the next generation of infrared-focussed telescopes (JWST and ELT).

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

The DEHVILS survey overview and initial data release: high-quality near-infrared Type Ia supernova light curves at low redshift

ABSTRACT While the sample of optical Type Ia supernova (SN Ia) light curves (LCs) usable for cosmological parameter measurements surpasses 2000, the sample of published, cosmologically viable near-infrared (NIR) SN Ia LCs, which have been shown to be good ‘standard candles,’ is still ≲ 200. Here, we present high-quality NIR LCs for 83 SNe Ia ranging from 0.002 < z < 0.09 as a part of the Dark Energy, H0, and peculiar Velocities using Infrared Light from Supernovae (DEHVILS) survey. Observations are taken using UKIRT’s WFCAM, where the median depth of the images is 20.7, 20.1, and 19.3 mag (Vega) for Y, J, and H-bands, respectively. The median number of epochs per SN Ia is 18 for all three bands (Y,J, and H) combined and 6 for each band individually. We fit 47 SN Ia LCs that pass strict quality cuts using three LC models, SALT3, snoopy, and B ayeSN and find scatter on the Hubble diagram to be comparable to or better than scatter from optical-only fits in the literature. Fitting NIR-only LCs, we obtain standard deviations ranging from 0.128 to 0.135 mag. Additionally, we present a refined calibration method for transforming 2MASS magnitudes to WFCAM magnitudes using HST CALSPEC stars that results in a 0.03 mag shift in the WFCAM Y-band magnitudes.

Astronomy & Astrophysics↗

DOE OSTI2025

Detecting Process Equipment Failures Using Acoustic Data and Machine Learning

Nuclear power plant (NPP) process equipment such as fans, motors, valves, and pumps generate frequent or continuous noise, and deviations from the normal operational sounds made by this equipment can indicate potential issues. These deviations can be identified via automated acoustic anomaly detection, which involves using acoustic sensors (i.e., microphones) alongside detection algorithms to continuously monitor for changes in acoustic signatures. This task is made challenging by the substantial background noise that exists, such as operators opening and closing doors, manipulating valves, and conversing—in addition to typical plant noises. In collaboration with a nuclear power utility partner, this effort assessed the efficacy of acoustic anomaly detection when using a specific acoustic sensor that compresses data into a fixed set of features that are transferable over a standard Internet of Things communication protocol, thereby improving usability but potentially degrading detection performance. Two methods of performing automated acoustic anomaly detection were evaluated: one-class support vector machine (OC-SVM) and isolation forest (iForest). To enable the use of high-quality acoustic data encompassing both normal and anomalous conditions, the study utilized the publicly available Malfunctioning Industrial Machine Investigation and Inspection dataset, which includes real measured acoustic sensor data for a range of equipment types, model numbers, and signal-to-noise ratios (SNRs), along with a benchmark set of detection results. Using this dataset, the methods were tested and then compared against the benchmark results. The results indicated that although the specific acoustic sensor did not enable as rich a feature set extraction, the proposed methods with the limited feature set performed just as well. This provides solid justification for both the methods and the use of the proposed acoustic sensor.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

DOE OSTI2020

Cloud Atlas: High-precision HST/WFC3/IR Time-resolved Observations of Directly Imaged Exoplanet HD 106906b

HD 106906b is an ∼11M{sub Jup}, ∼15 Myr old directly imaged exoplanet orbiting at an extremely large distance from its host star. The wide separation (7.″11) between HD 106906b and its host star greatly reduces the difficulty in direct-imaging observations, making it one of the most favorable directly imaged exoplanets for detailed characterization. In this paper, we present HST/WFC3/IR time-resolved observations of HD 106906b in the F127M, F139M, and F153M bands. We have achieved ∼1% precision in the lightcurves in all three bands. The F127M lightcurve demonstrates marginally detectable (2.7σ significance) variability with a best-fitting period of 4 hr, while the lightcurves in the other two bands are consistent with flat lines. We construct primary-subtracted deep images and use these images to exclude additional companions to HD 106906 that are more massive than 4 M{sub Jup} and locate at projected distances of more than ∼500 au. We measure the astrometry of HD 106906b in two HST/WFC3 epochs and achieve precisions better than 2.5 mas. The position angle and separation measurements do not deviate from those in the 2004 HST/ACS/HRC images for more than 1σ uncertainty. We provide the HST/WFC3 astrometric results for 25 background stars that can be used as reference sources in future precision astrometry studies. Our observations also provide the first 1.4 μm water band photometric measurement for HD 106906b. HD 106906b’s spectral energy distribution and the best-fitting BT-Settl model have an inconsistency in the 1.4 μm water absorption band, which highlights the challenges in modeling atmospheres of young planetary-mass objects.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Unveiling the Interfacial Reconstruction Mechanism Enabling Stable Growth of the Delafossite PdCoO 2 on Al 2 O 3 and LaAlO 3

Delafossites, composed of noble metal (A + ) and strongly correlated sublayers (BO 2 – ), form natural superlattices with highly anisotropic properties. These properties hold significant promise for various applications, but their exploitation hinges on the successful growth of high-quality thin films on suitable substrates. Unfortunately, the unique lattice geometry of delafossites presents a significant challenge to thin-film fabrication. Different delafossites grow differently, even when deposited on the same substrate, ranging from successful epitaxy to complete growth suppression. These variations often lack a clear correlation to obvious causes like lattice mismatch. Unidentified stabilization mechanisms appear to enable growth in certain cases, allowing these materials to form stable thin films or act as buffer layers for subsequent delafossite growth. This study employs advanced scanning transmission electron microscopy techniques to investigate the nucleation mechanism underlying the stable growth of PdCoO 2 films on Al 2 O 3 and LaAlO 3 substrates grown via molecular-beam epitaxy. Our findings reveal the presence of a secondary phase within the substrate surface that stabilizes the films. This mechanism deviates from the conventional understanding of strain relief mechanisms at oxide heterostructure interfaces and differs significantly from those observed for Cu-based delafossites.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Intensity modulated Ir-192 brachytherapy using high-Z 3D printed applicators

Gynecologic cancers are often asymmetric, yet current Ir-192 brachytherapy techniques provide only limited radial modulation of the dose. The shielded solutions investigated here solve this by providing the ability to modulate between highly asymmetric and radially symmetric dose distributions at a given location. To find applicator designs that can modulate between full dose and less than 50% dose, at the dimensions of the urethra, a 2D calculation algorithm was developed to narrow down the search space. Two shielding design types were then further investigated using Monte Carlo and Boltzmann-solver dose calculation algorithms. 3D printing techniques using ISO 10993 certified biocompatible plastics and 3D printable tungsten-loaded plastics were tested. It was also found that shadowing effects set by the shape of the shielding cannot be easily modulated out, hence careful design is required. The shielded applicator designs investigated here, allow for reduction of the dose by over 50% at 5 mm from the applicator surface in desired regions, while also allowing radially symmetric dose with isodose line deviations less than 0.5 mm from circular. The shielding designs were also chosen with treatment delivery time in mind. Treatment times for these shielded designs were found to be less than 1.4 times longer than a 6-channel unshielded cylinder for the equivalent fully symmetric dose distribution. The 2D calculation methods developed here provide a simple way to rapidly evaluate shielding designs, while the 3D printing techniques also allow for devices with novel shapes to be rapidly prototyped. Both TOPAS Monte Carlo and Acuros BV calculations show that significant dose shaping and organ at risk sparing can be achieved without significantly compromising the plan in regions that require the full dose.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

AUTOIGNITION DELAY TIMES FOR REFORMATE GAS MIXTURES FROM METHANE GAS ENGINES

Methane slip is a prominent issue in natural gas reciprocating engines that are used in transportation and marine applications. The incomplete combustion that results in methane slip can be resolved with the introduction of hydrogen within the combustion mixture to improve methane oxidation and further enable combustion within the engine crevices where methane has previously remained unreacted. Steam methane reforming (SMR) is a common method used to produce hydrogen and can be used to design an onboard device to reduce methane slip from reciprocating engines. The development of this reformer device requires the validation of high-fidelity chemical kinetic models at the low temperatures of the crevice volumes of these engines. In this work, auto-ignition data is obtained using a shock tube at lean (φ—0.714 or λ—1.4) and stoichiometric (φ, λ = 1) equivalence ratios spanning a temperature range of 1042–1234 K at the 80-bar operating pressure of the test engine. Blends of methane, hydrogen, and reformate products from the SMR reaction are shock-heated in synthetic air, with the ignition delay time measured using an OH* chemiluminescence detector at 310 nm and a CH* detector at 430 nm. The experimental results are compared to several state-of-the-art chemical kinetic mechanisms from the literature. In general, most of the mechanisms show very good agreement with experiments at higher temperatures, with simulation results showing little deviation from experiments at lower temperatures. A sensitivity analysis was conducted, and the results reveal that the reaction H2 + CH3O2 = H + CH3O2H has a very significant role in determining low-temperature ignition delay times (IDTs) of SMR mixtures. These findings provide valuable insights into the chemical kinetics governing methane reformate combustion and contribute to the optimization of onboard reformer designs aimed at mitigating methane slip in natural gas-fueled engines.

Fraze, Matthew↗

DOE OSTI2022

Multi-modelling predictions show high uncertainty of required carbon input changes to reach a 4‰ target

Soils store vast amounts of carbon (C) on land, and increasing soil organic carbon (SOC) stocks in already managed soils such as croplands may be one way to remove C from the atmosphere, thereby limiting subsequent warming. The main objective of this study was to estimate the amount of additional C input needed to annually increase SOC stocks by 4‰ at 16 long-term agricultural experiments in Europe, including exogenous organic matter (EOM) additions. We used an ensemble of six SOC models and ran them under two configurations: (1) with default parametrization and (2) with parameters calibrated site-by-site to fit the evolution of SOC stocks in the control treatments (without EOM). We compared model simulations and analysed the factors generating variability across models. The calibrated ensemble was able to reproduce the SOC stock evolution in the unfertilised control treatments. We found that, on average, the experimental sites needed an additional 1.5 ± 1.2 Mg C ha -1 year -1 to increase SOC stocks by 4‰ per year over 30 years, compared to the C input in the control treatments (multi-model median ± median standard deviation across sites). That is, a 119% increase compared to the control. While mean annual temperature, initial SOC stocks and initial C input had a significant effect on the variability of the predicted C input in the default configuration (i.e., the relative standard deviation of the predicted C input from the mean), only water-related variables (i.e., mean annual precipitation and potential evapotranspiration) explained the divergence between models when calibrated. Here, our work highlights the challenge of increasing SOC stocks in agriculture and accentuates the need to increasingly lean on multi-model ensembles when predicting SOC stock trends and related processes. To increase the reliability of SOC models under future climate change, we suggest model developers to better constrain the effect of water-related variables on SOC decomposition.

4 per 1000 initiative↗

DOE OSTI2023

Recent progress in low energy neutrino scattering physics and its implications for the standard and beyond the standard model physics

Neutrinos continue to provide a testing ground for the structure of the standard model of particle physics as well as hints towards the physics beyond the standard model. Neutrinos of energies spanning over several orders of magnitude, originating in many terrestrial and astrophysical processes, have been detected via various decay and interaction mechanisms. At MeV scales, there has been one elusive process, until a few years ago, known as coherent elastic neutrino-nucleus scattering (CEvNS) that was theoretically predicted over five decades ago but was never observed experimentally. The recent experimental observation of the CEvNS process by the COHERENT collaboration at a stopped pion neutrino source has inspired physicists across many subfields. This has vital implications for nuclear physics, high-energy physics, astrophysics, and beyond. CEvNS, being a low-energy process, provides a natural window to study light, weakly-coupled, new physics in the neutrino sector. In this review, we intend to provide the current status of low energy neutrino scattering physics and its implications for the standard and beyond the standard model physics. We discuss the general formalism of calculating the tree-level CEvNS cross section and present estimated theoretical uncertainties on the CEvNS cross section stemming from different sources. We also discuss the inelastic scattering of tens of MeV neutrinos that have implications for supernova detection in future neutrino experiments. We discuss how the CEvNS experiments can be used as a testing ground for the Standard Model (SM) weak physics as well as in searching for the Beyond the Standard Model (BSM) physics signals. Any deviation from the SM predicted event rate either with a change in the total event rate or with a change in the shape of the recoil spectrum, could indicate new contributions to the interaction cross-section. The SM implications include the study of weak nuclear form factor and weak mixing angle. The BSM studies include non-standard interactions, neutrino electromagnetic properties, and sterile neutrino searches. In conclusion, stopped pion facilities are also a copious source of neutral and changed mesons that allow study of several dark sector physics scenarios such as vector portal models, leptophobic dark matter as well as axion-like particle searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Convergence of small scale Ly α structure at high- z under different reionization scenarios

ABSTRACT The Ly α forest (LAF) at z > 5 probes the thermal and reionization history of the intergalactic medium (IGM) and the nature of dark matter, but its interpretation requires comparison to cosmological hydrodynamical simulations. At high-z, convergence of these simulations is more exacting since transmission is dominated by underdense voids that are challenging to resolve. With evidence mounting for a late end to reionization, small structures down to the sub-kpc level may survive to later times than conventionally thought due to the reduced time for pressure smoothing to impact the gas, further tightening simulation resolution requirements. We perform a suite of simulations using the Eulerian cosmological hydrodynamics code Nyx, spanning domain sizes of 1.25 − 10 h−1 Mpc and 5 − 80 h−1 kpc cells, and explore the interaction of these variables with the timing of reionization on the properties of the matter distribution and the simulated LAF at z = 5.5. In observable Ly α power, convergence within 10 per cent is achieved for k < 0.1 s km–1, but larger k shows deviation of up to 20 per cent. While a later reionization retains more small structure in the density field, because of the greater thermal broadening there is little difference in the convergence of LAF power between early (z = 9) and later (z = 6) reionizations. We conclude that at z ∼ 5.5, resolutions of 10 kpc are necessary for convergence of LAF power at k < 0.1 s km–1, while higher-k modes require higher resolution, and that the timing of reionization does not significantly impact convergence given realistic photoheating.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Assessment of Flow-Enhanced Sensors for Actinide Quantification in MSRs

This report serves as the deliverable for Milestone M2RS-22AN0401062 that is part of Work Package RS-22AN040106 (Flow Enhanced Sensors for MSRs – ANL). The goal of this milestone is to assess the capabilities of flow-enhanced electrochemical sensors (FEES) to quantify actinides in molten salt reactors. Flow enhanced electrochemical sensors are a type of electroanalytical sensor that has been developed at Argonne National Laboratory to be installed directly into MSR flow conduits in order to make measurements of the salt composition. These sensors represent a significant improvement in capabilities compared to earlier electroanalytical sensors that instead can only be operated in quiescent conditions. To support this work, Argonne constructed a molten salt flow system to serve as a testbed for the development of safeguards and process monitoring-relevant sensors in challenging molten salt flow conditions. Through extensive flow testing using UCl3-bearing salts, Argonne has been able to show that the FEES are able to make good measurements of salt composition. Concentration measurements with a mean absolute error of 0.09 wt% have been achieved for representative fuel salt mixtures across a range of UCl3 loadings. Repeatability was also good, with the relative standard deviation from repeated measurements being less than 1.0%. These sensors have also been shown to be able to measure the flow rate of the salt within the flow system’s transfer line. Although the accuracy of the sensors has been good, the sensors have thus far not been able to achieve performance good enough to satisfy the nuclear material accountancy requirements in 10 CFR 74. To do so, accuracy levels of 0.1% must be achieved; the FEES when operated in Argonne’s flow system have so far only been able to achieve relative errors of approximately 5.0%. Much of the error that has been observed at this stage is due to challenges in maintaining a stable salt composition in the molten salt flow system, and it is not believed that there are any inherent flaws in the sensor design. Nonetheless, the high degree of accuracy required by 10 CFR 74 represents a significant challenge, and further design evolution and integration of the sensors into multimodal sensing frameworks will likely be needed to push the measurement accuracy to the needed level.

Moore, Colin E.↗

DOE OSTI2026

Direct Ab Initio Simulation of the Synthesis of BaZrO 3 and the Microstructure Impacts on Proton Transport

Controlling and predicting the processing-structure-performance relationship in functional materials is a grand challenge in materials science, with important implications for a wide range of emerging applications; a high fidelity understanding of the performance impact of microstructures formed under synthesis conditions is required to develop advanced materials, such as solid-state fuel cells and electrolyzers. Using the ceramic BaZrO 3 as a case study, we directly simulate the synthesis and investigate how proton transport is dictated by microstructures. We develop a framework that couples density functional theory (DFT), machine-learning interatomic potential (MLIP) driven molecular dynamics, and grand canonical Monte Carlo to perform large-scale, microstructure-resolved, atomistic simulations of proton transport in experimentally representative polycrystalline structures. Our fully ab initio approach, using a MLIP as a proxy for DFT, allows us to quantify the competition between two distinct diffusion mechanisms: one associated with grain-boundary regions and another within grains. When the impacts of grain boundaries are taken into account, proton transport exhibits substantial deviation from the bulk oxide limit. This addresses long-standing discrepancies between theory and experiments. Our integrated approach provides atomistic insight into microstructure-dependent proton pathways in BaZrO 3 and establishes a general protocol for predicting processing-structure-performance relationships.

organic↗

DOE OSTI2024

Direct numerical simulation of open-channel flow over a heterogeneous particle bed at low relative submergence

In this article, this study investigates turbulent open-channel flows over beds of irregularly arranged particles, using direct numerical simulations at a friction Reynolds number of Re T = 300⁠. Two distinct cases are examined: a polydisperse bed (P800) composed of multiple layers of randomly distributed spheres of varying sizes, and a monodisperse bed (M1015) formed by a random distribution of uniform sized spheres, with a bottommost single layer of varied-sized particles to introduce realistic randomness. Our investigation unveils a rich network of low- and high-speed streaks within the flow field, exhibiting distinctive behaviors in different bed configurations. The P800 case presents a poorly organized flow pattern induced by the varied particle sizes and arrangements, while the M1015 case shows a more regular flow pattern, marked by larger streaks. We also observe that total wall shear stress is substantially influenced by surface roughness-induced drag, extending beyond the effects documented in existing studies of open-channel flows. The present study reveals intricate secondary flow patterns over irregular particle beds. Large-scale circulations are discerned around particle crests in the P800 case and localized circulations with increased turbulence in the M1015 case. Furthermore, analysis of Reynolds stress tensor components indicates that roughness disrupts coherent turbulent eddies, consequently mitigating peak stress. We quantify correlations between drag force and local fluid velocity fluctuations. Notably, a larger deviation in drag is observed in the P800 case compared to M1015, accentuating the influence of particle size and distribution on fluid–particle interactions.

42 ENGINEERING↗

DOE OSTI2021

Solution Irregularity Remediation for Spatial Discretization Error Estimation for S N Transport Solutions

The discrete ordinates linear Boltzmann transport equation is typically solved in its spatially discretized form, incurring spatial discretization error. Quantification of this error for purposes such as adaptive mesh refinement or error analysis requires an a posteriori estimator, which utilizes the numerical solution to the spatially discretized equation to compute an estimate. Because the quality of the numerical solution informs the error estimate, irregularities, present in the true solution for any realistic problem configuration, tend to cause the largest deviation in the error estimate vis-a-vis the true error. In this paper, an analytical partial singular characteristic tracking (pSCT) procedure for reducing the estimator’s error is implemented within our novel residual source estimator for a zeroth-order discontinuous Galerkin scheme, at the additional cost of a single inner iteration. Here, a metric-based evaluation of the pSCT scheme versus the standard residual source estimator is performed over the parameter range of a Method of Manufactured Solutions test suite. The pSCT scheme generates near-ideal accuracy in the estimate in problems where the dominant source of the estimator’s error is the solution irregularity, namely, problems where the true solution is discontinuous and problems where the true solution’s first derivative is discontinuous and the scattering ratio is low. In problems where the scattering ratio is high and the true solution is discontinuous in the first derivative, the error in the scattering source, which is not converged by the pSCT scheme, is greater than the error incurred due to the irregularity. Ultimately, a pSCT scheme is judged to be useful for error estimation in problems where the computational cost of the scheme is justified. In the presence of many irregularities, such a scheme may be intractable for general use, but in benchmarks, as an analytical tool, or in problems that have nondissipative discontinuities, the scheme may prove invaluable.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Constraining gas motion and non-thermal pressure beyond the core of the Abell 2029 galaxy cluster with XRISM

We report on a detailed spectroscopic study of the gas dynamics and hydrostatic mass bias of the galaxy cluster Abell 2029, utilizing high-resolution observations from XRISM Resolve. Abell 2029, known for its cool core and relaxed X-ray morphology, provides an excellent opportunity to investigate the influence of gas motions beyond the central region. Expanding upon prior studies that revealed low turbulence and bulk motions within the core, our analysis covers regions out to the scale radius $R_{2500}$ (670 kpc) based on three radial pointings extending from the cluster center toward the northern side. We obtain accurate measurements of bulk and turbulent velocities along the line of sight. The results indicate that non-thermal pressure accounts for no more than 2% of the total pressure at all radii, with a gradual decrease outward. The observed radial trend differs from many numerical simulations, which often predict an increase in non-thermal pressure fraction at larger radii. These findings suggest that deviations from hydrostatic equilibrium are small, leading to a hydrostatic mass bias of around 2% across the observed area.

X-rays: galaxies: clusters↗