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NASA NTRS2014

EMC Test Report Electrodynamic Dust Shield

This report documents the Electromagnetic Interference E M I evaluation performed on the Electrodynamic Dust Shield (EDS) which is part of the MISSE-X System under the Electrostatics and Surface Physics Laboratory at Kennedy Space Center. Measurements are performed to document the emissions environment associated with the EDS units. The purpose of this report is to collect all information needed to reproduce the testing performed on the Electrodynamic Dust Shield units, document data gathered during testing, and present the results. This document presents information unique to the measurements performed on the Bioculture Express Rack payload; using test methods prepared to meet SSP 30238 requirements. It includes the information necessary to satisfy the needs of the customer per work order number 1037104. The information presented herein should only be used to meet the requirements for which it was prepared.

Electrostatics↗

DOE OSTI2025

Improving vertical detail in simulated temperature and humidity data using machine learning

Atmospheric models used for weather forecasting and climate predictions discretise the atmosphere onto a vertical grid. There are however atmospheric phenomena that occur on scales smaller than the thickness of those model layers. The formation of low-level clouds due to temperature inversions is an example. This leads to atmospheric models underestimating, or even missing, these clouds and their radiative effects. Using radiosonde observations as training data, a machine learning model is used to improve the vertical detail of modelled profiles of temperature and specific humidity. In addition, a physics-informed machine learning model is developed and compared to the traditional approach; showing improvements in the cloud fraction profiles calculated from its predictions. The vertically enhanced profiles also improve the representation of layers of convective inhibition and anomalous refractivity gradients. This work facilitates targeted improvements to the representation of certain atmospheric processes without the burden of increased memory and computational cost from increasing vertical resolution throughout the whole model.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Final Report Scalable Analysis Methods and In Situ Infrastructure for Extreme Scale Knowledge Discovery

The primary challenge motivating this project is the widening gap between the ability to compute information and to store it for subsequent analysis. This gap adversely impacts science code teams, who can perform analysis only on a small fraction of the data they calculate, resulting in the substantial likelihood of lost or missed science, when results are computed but not analyzed. Our approach is to perform as much analysis or visualization processing on data while it is still resident in memory, which is known as in situ processing. The idea in situ processing was not new at the time of the start of this effort in 2014, but efforts in that space were largely ad hoc, and there was no concerted effort within the research community that aimed to foster production-quality software tools suitable for use by Department of Energy (DOE) science projects. Our objective was to produce and enable the use of production-quality in situ methods and infrastructure, at scale, on DOE high-performance computing (HPC) facilities, though we expected to have an impact beyond DOE due to the widespread nature of the challenges, which affect virtually all large-scale computational science efforts. To achieve this objective, we engaged in software technology research and development (R&D), in close partnerships with DOE science code teams, to produce software technologies that were shown to run efficiently at scale on DOE HPC platforms.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2017

Exclusive Backward-Angle Omega Meson Electroproduction

Exclusive meson electroproduction at different squared four-momenta of the exchanged virtual photon, Q 2 , and at different four-momentum transfers, t and u, can be used to probe QCD's transition from hadronic degrees of freedom at the long distance scale to quark-gluon degrees of freedom at the short distance scale. Backward-angle meson electroproduction was previously ignored, but is anticipated to offer complimentary information to conventional forward-angle meson electroproduction studies on nucleon structure. This work is a pioneering study of backward-angle ω cross sections through the exclusive 1 H(e, e'p)ω reaction using the missing mass reconstruction technique. The extracted cross sections are separated into the transverse (T), longitudinal (L), and LT, TT interference terms. The analyzed data were part of experiment E01-004 (Fπ-2), which used 2.6-5.2 GeV electron beams and HMS+SOS spectrometers in Jefferson Lab Hall C. The primary objective was to detect coincidence π in the forward-angle, where the backward-angle omega events were fortuitously detected. The experiment has central Q 2 values of 1.60 and 2.45 GeV 2 , at W = 2.21 GeV. There was significant coverage in phi and epsilon, which allowed separation of σ T,L,LT,TT . The data set has a unique u coverage of -u ~ 0, which corresponds to -t > 4 GeV 2 . The separated σ T result suggest a flat ~ 1/Q 1.33±1.21 dependence, whereas sigma_L seems to hold a stronger 1/Q 9.43±6.28 dependence. The σL/σ T ratio indicate σ T dominance at Q 2 = 2.45 GeV 2 at the ~90% confidence level. After translating the results into the -t space of the published CLAS data, our data show evidence of a backward-angle omega electroproduction peak at both Q 2 settings. Previously, this phenomenon showing both forward and backward-angle peaks was only observed in the meson photoproduction data. Through comparison of our σ T data with the prediction of the Transition Distribution Amplitude (TDA) model, and signs of σ T dominance, promising indications of the applicability of the TDA factorization are demonstrated at a much lower Q 2 value than its preferred range of Q 2 > 10 GeV 2 . These studies have opened a new means to study the transition of the nucleon wavefunction through backward-angle experimental observables.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2007

Hypothetical Scenario Generator for Fault-Tolerant Diagnosis

The Hypothetical Scenario Generator for Fault-tolerant Diagnostics (HSG) is an algorithm being developed in conjunction with other components of artificial- intelligence systems for automated diagnosis and prognosis of faults in spacecraft, aircraft, and other complex engineering systems. By incorporating prognostic capabilities along with advanced diagnostic capabilities, these developments hold promise to increase the safety and affordability of the affected engineering systems by making it possible to obtain timely and accurate information on the statuses of the systems and predicting impending failures well in advance. The HSG is a specific instance of a hypothetical- scenario generator that implements an innovative approach for performing diagnostic reasoning when data are missing. The special purpose served by the HSG is to (1) look for all possible ways in which the present state of the engineering system can be mapped with respect to a given model and (2) generate a prioritized set of future possible states and the scenarios of which they are parts.

James, Mark↗

DOE OSTI2022

Functional characterization of prokaryotic dark matter: the road so far and what lies ahead

Eight-hundred thousand to one trillion prokaryotic species may inhabit our planet. Yet, fewer than two-hundred thousand prokaryotic species have been described. This uncharted fraction of microbial diversity, and its undisclosed coding potential, is known as the “microbial dark matter” (MDM). Next-generation sequencing has allowed to collect a massive amount of genome sequence data, leading to unprecedented advances in the field of genomics. Still, harnessing new functional information from the genomes of uncultured prokaryotes is often limited by standard classification methods. These methods often rely on sequence similarity searches against reference genomes from cultured species. This hinders the discovery of unique genetic elements that are missing from the cultivated realm. It also contributes to the accumulation of prokaryotic gene products of unknown function among public sequence data repositories, highlighting the need for new approaches for sequencing data analysis and classification. Increasing evidence indicates that these proteins of unknown function might be a treasure trove of biotechnological potential. Here, we outline the challenges, opportunities, and the potential hidden within the functional dark matter (FDM) of prokaryotes. We also discuss the pitfalls surrounding molecular and computational approaches currently used to probe these uncharted waters, and discuss future opportunities for research and applications.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Videos, photos, and AI-derived grain size data associated with “High-throughput AI Video Surveys Enable Reproducible Multiscale Sediment Size Mapping, with Implications for Hydrobiogeochemical Parameterization”

NOTE: The manuscript associated with this data package is currently in review. The data may be revised based on reviewer feedback. Upon manuscript acceptance, this data package will be updated with the final dataset and additional metadata. This data package is associated with the manuscript “High-throughput AI Video Surveys Enable Reproducible Multiscale Sediment Size Mapping, with Implications for Hydrobiogeochemical Parameterization” under review. This data package includes five data types: 1) raw photos and videos from drone survey and walking smartphone surveys; 2) images derived from raw videos; 3) manual labeling of reference scales; 4) metadata for all images and photo resolution derived from artificial intelligence (AI) models or manual labels, 5) grain size data obtained from AI models for all photos, 6) metadata and grain size data after quality control, 7) summaries of sample efficiency for all data, and 8) computational fluid dynamics (CFD) data used to support hydro-biogeochemical (HBGC) parameter estimation. Such data is used to 1) demonstrate significant improvements in accuracy, efficiency, and quality control for grain size data collection with the help of AI models, 2) study the spatial heterogeneity of grain size and observation reproducibility based on tens of thousands of data points generated by the AI models, and 3) evaluate the impacts of grain size heterogeneity on key HBGC parameters across sediment-to-reach and hourly-to-yearly scales. In particular, the data package contains 116 folders and 179696 files. The files include 41 videos in .mov format, 64047 photos in .jpg format, 13541 video-derived photos in .png format, 12747 segmentation mask data in .tif format, 12747 segmentation data in .json format, 24771 .csv files that with metadata and grain size for each individual photo as well as water depth and velocity data from CFD and observation, 51791 .txt files of raw AI predicted labels, and 11 flight record data in .srt format. The summary for all metadata and grain size statistics information is included in “Scales_V3_NG.csv” and “Statistics_V3_NG.csv”. The summary for data that pass data quality control (QC) level 0-2 is included in “QCStatistics_V3_NG.csv”. The QC level 0 represents photos whose photo resolution is positive, excluding photos that miss reference scale. The QC level 1 means reference scale circularity uncertainty is less than 5% for smartphone images while representing photo resolution is larger than 0.44 mm/pixel for drone images. The QC level 2 means excluding photos whose grain number is less than 100, a minimum number of grains recommended by classic literature. The summary for each video’s name, length, frame rates, survey area, grain number, survey efficiency, etc. can be found in “QCSummary_V3_NG.csv”. The summary for site name, GPS coordinates, and number of images at each site can be found in “SitesSummary_V3_*.csv” files. Overall computational efficiency summary is reported in Table 4 of accompanying manuscript. Additionally, the nitrate concentration data used in this work was downloaded from an existing dataset published on ESS-DIVE (Boat-Dragged Sensor Hanford Reach.csv; Conner A. et al., 2020). We thank the United States Forest Service, Washington Department of Fish and Wildlife, Washington Department of Natural Resources, Cowiche Canyon Conservatory, Port of Benton, and the Confederated Tribes and Bands of the Yakama Nation for access to field locations where the data were collected. We also thank the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate data collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRSDate not supplied

Evaluation of Transport-Equations-Based Transition Models for High-Speed Boundary Layers Using OVERFLOW

Accurate modeling of laminar-turbulent transition is crucial for the design of hypersonic flight systems. However, the current transition models used in production CFD codes are insufficient for high-speed flows. Many extensions to low-speed models have been suggested; however, a thorough verification and validation effort is needed before these models can be used in design settings. Challenges include potentially missing details of the model implementation requirements and/or a complete specification of the input parameters needed to replicate the test findings. A meaningful assessment of the generalization capability of these models is also hindered by a lack of information regarding the specific flow configurations and associated grids employed for model calibration. As a key first step toward model verification, we present an independent assessment of two recently proposed models for high-speed transition, namely, a model within the SST-𝛾 framework and a model based on the SST-𝛾 – 𝜈 𝐿 equations. These models are implemented in the NASA OVERFLOW 2.3e solver and their performance in predicting first mode, second mode, and crossflow transition has been evaluated for several test cases in the supersonic and hypersonic regimes. Besides the test cases employed by the model developers, which could have also been used for model calibration, the present assessment includes supplementary configurations that contribute to an unbiased assessment of the models. The outcomes presented in this study indicate the potential for the models to be applied to high-speed flight configurations. Key steps toward future improvements to these models are also outlined.

CFD↗

NASA NTRS2023

Evaluation of Transport-Equation-Based Transition Models for High-Speed Boundary Layers Using OVERFLOW

Accurate modeling of laminar-turbulent transition is crucial for the design of hypersonic flight systems. However, the current transition models used in production CFD codes are insufficient for high-speed flows. Many extensions to low-speed models have been suggested; however, a thorough verification and validation effort is needed before these models can be used in design settings. Challenges include potentially missing details of the model implementation requirements and/or a complete specification of the input parameters needed to replicate the test findings. A meaningful assessment of the generalization capability of these models is also hindered by a lack of information regarding the specific flow configurations and associated grids employed for model calibration. As a key first step toward model verification, we present an independent assessment of two recently proposed models for high-speed transition, namely, a model within the SST-$\gamma$ framework and a model based on the SST-$\gamma-\nu_L$ equations. These models are implemented in the NASA OVERFLOW 2.3e solver and their performance in predicting first mode, second mode, and crossflow transition has been evaluated for several test cases in the supersonic and hypersonic regimes. Besides the test cases employed by the model developers, which could have also been used for model calibration, the present assessment includes supplementary configurations that contribute to an unbiased assessment of the models. The outcomes presented in this study indicate the potential for the models to be applied to high-speed flight configurations. Key steps toward future improvements to these models are also outlined.

High-speed flow↗

NASA NTRSDate not supplied

The Next Generation Marshall Grazing Incidence X-Ray Spectrometer (MaGIXS) Sounding Rocket Experiments

The Marshall Grazing Incidence X-ray Spectrometer (MaGIXS) is a sounding rocket experiment that carries an X-ray slitless imaging spectrograph to observe spectrally dispersed soft X-ray (SXR) images of the solar corona over a wide field-of-view. The first flight of MaGIXS occurred on 30 July 2021, during which several emission lines from coronal structures including X-ray bright points were observed. Analysis of MaGIXS-1 data demonstrated the application of new inversion techniques and opened a new arena of inverting complex spectroheliogram data, which has spatial-spectral information overlapped. The second flight of MaGIXS, with a simplified optical design, is scheduled for 2024. The goal of MaGIXS-2 is to observe high temperature diagnostic emission lines within an active region core. MaGIXS-1 discovered dominant missing emission lines near 15Å wavelength region, which hosts several closely spaced satellite lines of Fe XVII, Fe XVI, and Fe XV ions, arising from relatively cool plasma that peaks near 2MK. These lines are expected to be enhanced at lower temperatures and offers one of the most unique diagnostics to measure electron temperature, as well as signatures of equilibrium state of the plasma in active regions, which has not been studied so far. The science goal of the third sounding rocket flight of MaGIXS is to determine coronal heating parameters, such as the spatial and temporal properties of coronal heating events, by measuring discriminating observations, such as electron temperature, effective temperature, density, abundance, and departures from thermal equilibrium of the plasma, by observing the Sun in the SXR wavelength range. For this, the MaGIXS instrument will be upgraded with a new X-ray telescope mirror that will provide higher spatial and spectral resolution and throughput, allowing for spectral lines to be observed at the relevant spatial and temporal scales. In addition, MaGIXS-3 will also carry The Resolving Inversion Context X-ray Spectrometer (TRICXS), a high dispersion Bragg crystal spectrometer to spectrally resolve the lines near 15Å, critical to unlock the full diagnostic potential of this wavelength range. Here we will present the preliminary concept design of MaGIXS-3 and discuss the potential observations.

X-ray Imaging↗

DOE OSTI2022

Electronic landscape of the f -electron intermetallics with the ThCr 2 Si 2 structure

Although strongly correlated f -electron systems are well known as reservoirs for quantum phenomena, a persistent challenge is to design specific states. What is often missing are simple ways to determine whether a given compound can be expected to exhibit certain behaviors and what tuning vector(s) would be useful to select the ground state. In this review, we address this question by aggregating information about Ce, Eu, Yb, and U compounds with the ThCr 2 Si 2 structure. We construct electronic/magnetic state maps that are parameterized in terms of unit cell volumes and d -shell filling, which reveals useful trends including that (i) the magnetic and nonmagnetic examples are well separated, and (ii) the crossover regions harbor the examples with exotic states. These insights are used to propose structural/chemical regions of interest in these and related materials, with the goal of accelerating discovery of the next generation of f -electron quantum materials.

42 ENGINEERING↗

DOE OSTI2017

GALAXY EVOLUTION AT HIGH REDSHIFT: OBSCURED STAR FORMATION, GRB RATES, COSMIC REIONIZATION, AND MISSING SATELLITES

We provide a holistic view of galaxy evolution at high redshifts z ≳ 4, which incorporates the constraints from various astrophysical/cosmological probes, including the estimate of the cosmic star formation rate (SFR) density from UV/IR surveys and long gamma-ray burst (GRBs) rates, the cosmic reionization history following the latest Planck measurements, and the missing satellites issue. We achieve this goal in a model-independent way by exploiting the SFR functions derived by Mancuso et al. on the basis of an educated extrapolation of the latest UV/far-IR data from HST / Herschel , and already tested against a number of independent observables. Our SFR functions integrated down to a UV magnitude limit M {sub UV} ≲ −13 (or SFR limit around 10{sup −2} M {sub ⊙} yr{sup −1}) produce a cosmic SFR density in excellent agreement with recent determinations from IR surveys and, taking into account a metallicity ceiling Z ≲ Z {sub ⊙}/2, with the estimates from long GRB rates. They also yield a cosmic reionization history consistent with that implied by the recent measurements of the Planck mission of the electron scattering optical depth τ {sub es} ≈ 0.058; remarkably, this result is obtained under a conceivable assumption regarding the average value f {sub esc} ≈ 0.1 of the escape fraction for ionizing photons. We demonstrate via the abundance-matching technique that the above constraints concurrently imply galaxy formation becoming inefficient within dark matter halos of mass below a few 10{sup 8} M {sub ⊙}; pleasingly, such a limit is also required so as not to run into the missing satellites issue. Finally, we predict a downturn of the Galaxy luminosity function faintward of M {sub UV} ≲ −12, and stress that its detailed shape, to be plausibly probed in the near future by the JWST , will be extremely informative on the astrophysics of galaxy formation in small halos, or even on the microscopic nature of the dark matter.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

MRI-Based Evaluation of the Vaginal Cuff in Brachytherapy Planning: Are We Missing the Target?

Purpose: Although recurrences and toxicity occur after vaginal cuff (VC) brachytherapy, little is known about dosimetry due to the inability to clearly visualize the VC on computed tomography (CT). T2-weighted (T2W) magnetic resonance imaging (MRI) is superior to CT in this setting, and we hypothesized that it could provide previously unascertainable dosimetric information. Methods and Materials: In a cohort of 32 patients who underwent cylinder-based brachytherapy for endometrial cancer with available MR simulation images, the VC was retrospectively contoured on T2W images, and cases were replanned to treat the upper VC to a dose of 7 Gy/fraction prescribed to 5 mm. Relevant dose-volume parameters for the VC were calculated. Results: T2W MRI identified significant underdosing not observed on CT or T1-weighted imaging. Over two-thirds (69%) of patients had at least 1 cm{sup 3} of VC that received less than 75% of the prescription dose and half (50%) of patients had a least 1 cm{sup 3} of VC that received less than 50% of the prescription dose. The mean minimum point dose to the VC was 2.4 Gy, or 34% of the intended prescription dose (range: 0.53-6.4 Gy). Conclusions: We identified previously unreported VC underdosing in over two-thirds of our patients, with most of these patients having volumes of undistended VC that received less than half of the prescription dose. The maximum dimension was along the craniocaudal axis in some patients or left-right/anterior-posterior axis in others, suggesting that suture material may be restricting access to the vaginal apex and that alternative applicators may be needed when the diameter of the apex is larger than the introitus. Additional follow-up will be needed to determine whether underdosing is associated with isolated VC failure or whether low failure rates across the cohort suggest that some patients are being exposed to excessive dose and unnecessary risk of toxicity.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2019

Sampling Density in Regional Exploration and Environmental Geochemical Studies: A Review

A variety of factors contribute to the proper and efficient evaluation of geochemical programs including sampling medium, sample size and sample fraction, sampling density, digestion procedure, and analytical techniques. Among the aforementioned factors, sampling density is of great importance, affecting project ability to detect anomalous sites, which are either economically viable or environmentally hazardous. It is quite critical to have a sufficient number of samples to delineate geochemical anomalies or baselines and to reveal the relative variations in elemental concentrations in a study area. The resolution of the subsequent maps obtained by sampling greatly depends on sampling density. While a large number of samples may generate redundant data, a small number of samples smooth out the patterns and may completely miss anomalies. This review provides a platform for applied geochemists who desire to design a sampling scheme for a regional geochemical program and do not have the financial resources to perform an orientation survey, which will give them the necessary information for designing, according to project objectives, a cost-effective regional geochemical survey for their study area. It is advisable to integrate during the desktop study all available information, such as geological, structural, geophysical, remote sensing data and topographical data by using different data fusion algorithms to arrive at a sampling density fit-for-purpose of the target area. This in turn facilitates an effective spatial positioning of sample locations. Quantitative analyses of the efficiency of different sampling densities for delineating geochemical patterns have not been well documented, warranting more attention and research.

58 GEOSCIENCES↗

DOE OSTI2018

Phylogenetic patterns recover known HIV epidemiological relationships and reveal common transmission of multiple variants

The growth of human immunodeficiency virus (HIV) sequence databases resulting from drug resistance testing has motivated efforts using phylogenetic methods to assess how HIV spreads. Such inference is potentially both powerful and useful for tracking the epidemiology of HIV and the allocation of resources to prevention campaigns. We recently used simulation and a small number of illustrative cases to show that certain phylogenetic patterns are associated with different types of epidemiological linkage. Our original approach was later generalized for large next-generation sequencing datasets and implemented as a free computational pipeline. Previous work has claimed that direction and directness of transmission could not be established from phylogeny because one could not be sure that there were no intervening or missing links involved. We address this issue by investigating phylogenetic patterns from 272 previously identified HIV transmission chains with 955 transmission pairs representing diverse geography, risk groups, subtypes, and genomic regions. These HIV transmissions had known linkage based on epidemiological information such as partner studies, mother-to-child transmission, pairs identified by contact tracing, and criminal cases. Here, we show that the resulting phylogeny inferred from real HIV genetic sequences indeed reveals distinct patterns associated with direct transmission contra transmissions from a common source. Thus, our results establish how to interpret phylogenetic trees based on HIV sequences when tracking who-infected-whom, when and how genetic information can be used for improved tracking of HIV spread. We also investigate limitations that stem from limited sampling and genetic time-trends in the donor and recipient HIV populations.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

Measurement of the correlation between the polar angles of leptons from top quark decays in the helicity basis at $\sqrt{s}$ = 7 TeV using the ATLAS detector

A measurement of the correlations between the polar angles of leptons from the decay of pair-produced t and $\bar{t}$ quarks in the helicity basis is reported, using proton-proton collision data collected by the ATLAS detector at the LHC. The dataset corresponds to an integrated luminosity of 4.6 fb$^{-1}$ at a center-of-mass energy of $\sqrt{s}$ = 7 TeV collected during 2011. Candidate events are selected in the dilepton topology with large missing transverse momentum and at least two jets. The angles θ$_1$ and θ$_2$ between the charged leptons and the direction of motion of the parent quarks in the $t\bar{t}$ rest frame are sensitive to the spin information, and the distribution of cosθ$_1$ ∙ cosθ$_2$ is sensitive to the spin correlation between the t and $\bar{t}$ quarks. The distribution is unfolded to parton level and compared to the next-to-leading order prediction. A good agreement is observed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Two-flavor simulations of ρ ( 770 ) and the role of the K K ¯ channel

Here, the ρ(770) meson is the most extensively studied resonance in lattice QCD simulations in two (N f = 2) and three (N f = 2 + 1) flavor formulations. We analyze N f = 2 lattice scattering data using unitarized chiral perturbation theory, allowing not only for the extrapolation in mass but also in flavor, N f = 2 → N f = 2 + 1. The flavor extrapolation requires information from a global fit to ππ and πK phase shifts from experiment. While the chiral extrapolation of N f = 2 lattice data leads to masses of the ρ(770) meson far below the experimental one, we find that the missing KK¯ channel is able to explain this discrepancy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Scalable Analysis Methods and In Situ Infrastructure for Extreme Scale Knowledge Discovery

The primary challenge motivating this team’s work is the widening gap between the ability to compute information and to store it for subsequent analysis. This gap adversely impacts science code teams, who are able to perform analysis only on a small fraction of the data they compute, resulting in the very real likelihood of lost or missed science, when results are computed but not analyzed. Our approach is to perform as much analysis or visualization processing on data while it is still resident in memory, an approach that is known as in situ processing. The idea in situ processing was not new at the time of the start of this effort in 2014, but efforts in that space were largely ad hoc, and there was no concerted effort within the research community that aimed to foster production-quality software tools suitable for use by DOE science projects. In large, our objective was produce and enable use of production-quality in situ methods and infrastructure, at scale, on DOE HPC facilities, though we expected to have impact beyond DOE due to the widespread nature of the challenges, which affect virtually all large-scale computational science efforts. To achieve that objective, we assembled a unique team of researchers consisting of representatives from DOE national laboratories, academia, and industry, and engaged in software technology R&D, as well as engaged in close partnerships with DOE science code teams, to produce software technologies that were shown to run effectively at scale on DOE HPC platforms.

97 MATHEMATICS AND COMPUTING↗