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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

THE WISE BLAZAR-LIKE RADIO-LOUD SOURCES: AN ALL-SKY CATALOG OF CANDIDATE γ-RAY BLAZARS

We present a catalog of radio-loud candidate γ-ray emitting blazars with WISE mid-infrared colors similar to the colors of confirmed γ-ray blazars. The catalog is assembled from WISE sources detected in all four WISE filters, with colors compatible with the three-dimensional locus of the WISE γ-ray emitting blazars, and which can be spatially cross-matched with radio sources from one of the three radio surveys: NVSS, FIRST, and/or SUMSS. Our initial WISE selection uses a slightly modified version of previously successful algorithms. We then select only the radio-loud sources using a measure of the radio-to-IR flux, the q {sub 22} parameter, which is analogous to the q {sub 24} parameter known in the literature but which instead uses the WISE band-four flux at 22 μm. Our final catalog contains 7855 sources classified as BL Lacs, FSRQs, or mixed candidate blazars; 1295 of these sources can be spatially re-associated as confirmed blazars. We describe the properties of the final catalog of WISE blazar-like radio-loud sources and consider possible contaminants. Finally, we discuss why this large catalog of candidate γ-ray emitting blazars represents a new and useful resource to address the problem of finding low-energy counterparts to currently unidentified high-energy sources.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

LOCALIZING INTEGRAL SOURCES WITH CHANDRA: X-RAY AND MULTI-WAVELENGTH IDENTIFICATIONS AND ENERGY SPECTRA

We report on Chandra observations of 18 hard X-ray (>20 keV) sources discovered with the INTEGRAL satellite near the Galactic plane. For 14 of the INTEGRAL sources, we have uncovered one or two potential Chandra counterparts per source. These provide soft X-ray (0.3-10 keV) spectra and subarcsecond localizations, which we use to identify counterparts at other wavelengths, providing information about the nature of each source. Despite the fact that all of the sources are within 5 Degree-Sign of the plane, four of the IGR sources are active galactic nuclei (AGNs; IGR J01545+6437, IGR J15391-5307, IGR J15415-5029, and IGR J21565+5948) and four others are likely AGNs (IGR J03103+5706, IGR J09189-4418, IGR J16413-4046, and IGR J16560-4958) based on each of them having a strong IR excess and/or extended optical or near-IR emission. We compare the X-ray and near-IR fluxes of this group of sources to those of AGNs selected by their 2-10 keV emission in previous studies and find that these IGR AGNs are in the range of typical values. There is evidence in favor of four of the sources being Galactic (IGR J12489-6243, IGR J15293-5609, IGR J16173-5023, and IGR J16206-5253), but only IGR J15293-5609 is confirmed as a Galactic source as it has a unique Chandra counterpart and a parallax measurement from previous optical observations that puts its distance at 1.56 {+-} 0.12 kpc. The 0.3-10 keV luminosity for this source is (1.4{sup +1.0}{sub -0.4}) Multiplication-Sign 10{sup 32} erg s{sup -1}, and its optical/IR spectral energy distribution is well described by a blackbody with a temperature of 4200-7000 K and a radius of 12.0-16.4 R{sub Sun }. These values suggest that IGR J15293-5609 is a symbiotic binary with an early K-type giant and a white dwarf accretor. We also obtained likely Chandra identifications for IGR J13402-6428 and IGR J15368-5102, but follow-up observations are required to constrain their source types.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

A Study of Quasar Selection in the Supernova Fields of the Dark Energy Survey

In this paper, we present a study of quasar selection using the supernova fields of the Dark Energy Survey (DES). We used a quasar catalog from an overlapping portion of the SDSS Stripe 82 region to quantify the completeness and efficiency of selection methods involving color, probabilistic modeling, variability, and combinations of color/probabilistic modeling with variability. In all cases, we considered only objects that appear as point sources in the DES images. We examine color selection methods based on the Wide-field Infrared Survey Explorer (WISE) mid-IR W1-W2 color, a mixture of WISE and DES colors (g - i and i-W1), and a mixture of Vista Hemisphere Survey and DES colors (g - i and i - K). For probabilistic quasar selection, we used XDQSO, an algorithm that employs an empirical multi-wavelength flux model of quasars to assign quasar probabilities. Our variability selection uses the multi-band χ 2 -probability that sources are constant in the DES Year 1 griz-band light curves. The completeness and efficiency are calculated relative to an underlying sample of point sources that are detected in the required selection bands and pass our data quality and photometric error cuts. We conduct our analyses at two magnitude limits, i < 19.8 mag and i < 22 mag. For the subset of sources with W1 and W2 detections, the W1-W2 color or XDQSOz method combined with variability gives the highest completenesses of >85% for both i-band magnitude limits and efficiencies of >80% to the bright limit and >60% to the faint limit; however, the giW1 and giW1+variability methods give the highest quasar surface densities. The XDQSOz method and combinations of W1W2/giW1/XDQSOz with variability are among the better selection methods when both high completeness and high efficiency are desired. We also present the OzDES Quasar Catalog of 1263 spectroscopically confirmed quasars from three years of OzDES observation in the 30 deg 2 of the DES supernova fields. Finally, the catalog includes quasars with redshifts up to z ~ 4 and brighter than i = 22 mag, although the catalog is not complete up to this magnitude limit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

UV-CONTINUUM SLOPES AT z {approx} 4-7 FROM THE HUDF09+ERS+CANDELS OBSERVATIONS: DISCOVERY OF A WELL-DEFINED UV COLOR-MAGNITUDE RELATIONSHIP FOR z {>=} 4 STAR-FORMING GALAXIES

Ultra-deep Advanced Camera for Surveys (ACS) and WFC3/IR HUDF+HUDF09 data, along with the wide-area GOODS+ERS+CANDELS data over the CDF-S GOODS field, are used to measure UV colors, expressed as the UV-continuum slope {beta}, of star-forming galaxies over a wide range of luminosity (0.1L*{sub z=3} to 2L*{sub z=3}) at high redshift (z {approx} 7 to z {approx} 4). {beta} is measured using all ACS and WFC3/IR passbands uncontaminated by Ly{alpha} and spectral breaks. Extensive tests show that our {beta} measurements are only subject to minimal biases. Using a different selection procedure, Dunlop et al. recently found large biases in their {beta} measurements. To reconcile these different results, we simulated both approaches and found that {beta} measurements for faint sources are subject to large biases if the same passbands are used both to select the sources and to measure {beta}. High-redshift galaxies show a well-defined rest-frame UV color-magnitude (CM) relationship that becomes systematically bluer toward fainter UV luminosities. No evolution is seen in the slope of the UV CM relationship in the first 1.5 Gyr, though there is a small evolution in the zero point to redder colors from z {approx} 7 to z {approx} 4. This suggests that galaxies are evolving along a well-defined sequence in the L{sub UV}-color ({beta}) plane (a 'star-forming sequence'?). Dust appears to be the principal factor driving changes in the UV color {beta} with luminosity. These new larger {beta} samples lead to improved dust extinction estimates at z {approx} 4-7 and confirm that the extinction is essentially zero at low luminosities and high redshifts. Inclusion of the new dust extinction results leads to (1) excellent agreement between the star formation rate (SFR) density at z {approx} 4-8 and that inferred from the stellar mass density; and (2) to higher specific star formation rates (SSFRs) at z {approx}> 4, suggesting that the SSFR may evolve modestly (by factors of {approx}2) from z {approx} 4-7 to z {approx} 2.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

The design and construction of a high-resolution velocity-map imaging apparatus for photoelectron spectroscopy studies of size-selected clusters

A new velocity-map imaging apparatus equipped with a laser-vaporization supersonic cluster source and a time-of-flight mass spectrometer is described for high-resolution photoelectron spectroscopy studies of size-selected cluster anions. Vibrationally cold anion clusters are produced using a laser-vaporization supersonic cluster source, size-selected by a time-of-flight mass spectrometer, and then focused co-linearly into the interaction zone of the high-resolution velocity-map imaging (VMI) system. The multilens VMI system is optimized via systematic simulations and can reach a resolution of 1.2 cm{sup −1} (FWHM) for near threshold electrons while maintaining photoelectron kinetic energy resolutions (ΔKE/KE) of ∼0.53% for higher energy electrons. The new VMI lens has superior focusing power over a large energy range, yielding highly circular images with distortions no larger than 1.0025 between the long and short radii. The detailed design, simulation, construction, testing, and performance of the high-resolution VMI apparatus are presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Adsorption of polyelectrolyte multilayers imparts high monovalent/divalent cation selectivity to aliphatic polyamide cation-exchange membranes

Nafion membranes coated with polyelectrolyte multilayers (PEMs) exhibit outstanding monovalent/divalent cation electrodialysis selectivity in a single-membrane cell. Nevertheless, the high cost of Nafion and the extensive pretreatments required for polyelectrolyte adsorption on this surface may preclude the use of these membranes in many applications. Here this work reports that native aliphatic polyamide Fujifilm type 1 cation-exchange membranes modified with protonated poly(allylamine) (PAH)/poly (4-styrenesulfonate) (PSS) films also show extremely high K + /Mg 2+ cation selectivities in ED with a single-membrane cell. Even with 0.1 M salt in the source phase, the K + /Mg 2+ selectivity is >1000. The very low transfer of divalent cations implies that the PEM forms a complete, continuous coating on the smooth Fujifilm surface. Moreover, for a membrane coated on both sides, the PEM on the anode side is responsible for most of the selectivity. However, the current efficiency is only ~0.6 for PAH/PSS-modified Fujifilm or Nafion membranes. Adsorption of highly water-swollen (PDADMAC/PSS) n films on Nafion membranes leads to high K + /Mg 2+ and Li + /Co 2+ selectivities in ED, and the monovalent cation current efficiency reaches 0.8.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

THE FIRST Hi-GAL OBSERVATIONS OF THE OUTER GALAXY: A LOOK AT STAR FORMATION IN THE THIRD GALACTIC QUADRANT IN THE LONGITUDE RANGE 216. Degree-Sign 5 {approx}< l {approx}< 225. Degree-Sign 5

We present the first Herschel PACS and SPIRE photometric observations in a portion of the outer Galaxy (216. Degree-Sign 5 {approx}< l {approx}< 225. Degree-Sign 5 and -2 Degree-Sign {approx}< b {approx}< 0 Degree-Sign ) as a part of the Hi-GAL survey. The maps between 70 and 500 {mu}m, the derived column density and temperature maps, and the compact source catalog are presented. NANTEN CO(1-0) line observations are used to derive cloud kinematics and distances so that we can estimate distance-dependent physical parameters of the compact sources (cores and clumps) having a reliable spectral energy distribution that we separate into 255 proto-stellar and 688 starless sources. Both typologies are found in association with all the distance components observed in the field, up to {approx}5.8 kpc, testifying to the presence of star formation beyond the Perseus arm at these longitudes. Selecting the starless gravitationally bound sources, we identify 590 pre-stellar candidates. Several sources of both proto- and pre-stellar nature are found to exceed the minimum requirement for being compatible with massive star formation based on the mass-radius relation. For the pre-stellar sources belonging to the Local arm (d {approx}< 1.5 kpc) we study the mass function whose high-mass end shows a power law N(log M){proportional_to}M {sup -1.0{+-}0.2}. Finally, we use a luminosity versus mass diagram to infer the evolutionary status of the sources, finding that most of the proto-stellar sources are in the early accretion phase (with some cases compatible with a Class I stage), while for pre-stellar sources, in general, accretion has not yet started.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Cryo nanomanipulator probe with integrated gas injection

A probe assembly for use with a charged particle instrument includes an elongate body having a proximal end for positioning outside of a charged particle instrument enclosed environment, a distal end for positioning within the enclosed environment and a longitudinal axis. A port interface is located on the body between the proximal and distal ends, and is coupleable to a nanomanipulator system of the charged particle instrument. A probe needle is positioned at a distal end of the body and is selectively positionable from outside the enclosed environment to contact a specimen within the enclosed environment. At least one gas injection needle is adjustably positioned near the probe needle. The gas injection needle is connectable to a source of pressurized gas to selectively inject gas in the area of the probe needle within the enclosed environment.

Perea, Daniel E.↗
DOE OSTI2016

( Chandra Chandra) counterparts of CANDELS GOODS-S sources

Improving the capabilities of detecting faint X-ray sources is fundamental for increasing the statistics on faint high-z active galactic nuclei (AGNs) and star-forming galaxies (SFGs). We performed a simultaneous maximum likelihood point-spread function fit in the [0.5–2] keV and [2–7] keV energy bands of the 4 Ms Chandra Deep Field South (CDFS) data at the position of the 34,930 CANDELS H-band selected galaxies. For each detected source we provide X-ray photometry and optical counterpart validation. We validated this technique by means of a ray-tracing simulation. We detected a total of 698 X-ray point sources with a likelihood L>4.98 (i.e., >2.7σ). We show that prior knowledge of a deep sample of optical–NIR galaxies leads to a significant increase in the detection of faint (i.e., ∼10{sup −17} cgs in the [0.5–2] keV band) sources with respect to “blind” X-ray detections. By including previous X-ray catalogs, this work increases the total number of X-ray sources detected in the 4 Ms CDFS, CANDELS area to 793, which represents the largest sample of extremely faint X-ray sources assembled to date. Our results suggest that a large fraction of the optical counterparts of our X-ray sources determined by likelihood ratio actually coincides with the priors used for the source detection. Most of the new detected sources are likely SFGs or faint, absorbed AGNs. We identified a few sources with putative photometric redshift z > 4. Despite the low number statistics and the uncertainties on the photo z, this sample significantly increases the number of X-ray-selected candidate high-z AGNs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Enhanced production of electron cyclotron resonance plasma by exciting selective microwave mode on a large-bore electron cyclotron resonance ion source with permanent magnet

We are constructing a tandem type ECRIS. The first stage is large-bore with cylindrically comb-shaped magnet. We optimize the ion beam current and ion saturation current by a mobile plate tuner. They change by the position of the plate tuner for 2.45 GHz, 11–13 GHz, and multi-frequencies. The peak positions of them are close to the position where the microwave mode forms standing wave between the plate tuner and the extractor. The absorbed powers are estimated for each mode. We show a new guiding principle, which the number of efficient microwave mode should be selected to fit to that of multipole of the comb-shaped magnets. We obtained the excitation of the selective modes using new mobile plate tuner to enhance ECR efficiency.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

SU-E-T-259: Particle Swarm Optimization in Radial Dose Function Fitting for a Novel Iodine-125 Seed

Purpose: To determine the coefficients of bi- and tri-exponential functions for the best fit of radial dose functions of the new iodine brachytherapy source: Iodine-125 Seed AgX-100. Methods: The particle swarm optimization (PSO) method was used to search for the coefficients of the biand tri-exponential functions that yield the best fit to data published for a few selected radial distances from the source. The coefficients were encoded into particles, and these particles move through the search space by following their local and global best-known positions. In each generation, particles were evaluated through their fitness function and their positions were changed through their velocities. This procedure was repeated until the convergence criterion was met or the maximum generation was reached. All best particles were found in less than 1,500 generations. Results: For the I-125 seed AgX-100 considered as a point source, the maximum deviation from the published data is less than 2.9% for bi-exponential fitting function and 0.2% for tri-exponential fitting function. For its line source, the maximum deviation is less than 1.1% for bi-exponential fitting function and 0.08% for tri-exponential fitting function. Conclusion: PSO is a powerful method in searching coefficients for bi-exponential and tri-exponential fitting functions. The bi- and tri-exponential models of Iodine-125 seed AgX-100 point and line sources obtained with PSO optimization provide accurate analytical forms of the radial dose function. The tri-exponential fitting function is more accurate than the bi-exponential function.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Pulsed source for driving non-linear current dependent loads

A pulsed current source comprises a power source, a discharge capacitor, and an inductive element. The discharge capacitor is selectively coupled to either of the power source or the inductive element. When coupled to the power source, the discharge capacitor is charged. The inductive element can be connected to a load. The load can have a current-dependent impedance. When the discharge capacitor is coupled to the inductive element, the discharge capacitor discharges through the inductive element and the load. The discharge capacitor and the inductive element are configured so that the current through the load exhibits a substantially linear rise in a linear operational region. The inductive element is configured to saturate during discharge of the capacitor through the load, so that the saturation of the inductive element causes the current through the load to continue to rise in a substantially linear fashion.

Curtis, III, William C.↗
DOE OSTI2013

X-RAY AND RADIO FOLLOW-UP OBSERVATIONS OF HIGH-REDSHIFT BLAZAR CANDIDATES IN THE FERMI-LAT UNASSOCIATED SOURCE POPULATION

We report on the results of X-ray and radio follow-up observations of two GeV gamma-ray sources 2FGL J0923.5+1508 and 2FGL J1502.1+5548, selected as candidates for high-redshift blazars from unassociated sources in the Fermi Large Area Telescope Second Source Catalog. We utilize the Suzaku satellite and the VLBI Exploration of Radio Astrometry (VERA) telescopes for X-ray and radio observations, respectively. For 2FGL J0923.5+1508, a possible radio counterpart NVSS J092357+150518 is found at 1.4 GHz from an existing catalog, but we do not detect any X-ray emission from it and derive a flux upper limit F{sub 2-8{sub keV}} < 1.37 Multiplication-Sign 10{sup -14} erg cm{sup -2} s{sup -1}. Radio observations at 6.7 GHz also result in an upper limit of S{sub 6.7{sub GHz}} < 19 mJy, implying a steep radio spectrum that is not expected for a blazar. On the other hand, we detect X-rays from NVSS J150229+555204, the potential 1.4 GHz radio counterpart of 2FGL J1502.1+5548. The X-ray spectrum can be fitted with an absorbed power-law model with a photon index {gamma} = 1.8{sup +0.3}{sub -0.2} and the unabsorbed flux is F{sub 2-8{sub keV}} = 4.3{sup +1.1}{sub -1.0} Multiplication-Sign 10{sup -14} erg cm{sup -2} s{sup -1}. Moreover, we detect unresolved radio emission at 6.7 GHz with flux S{sub 6.7{sub GHz}} = 30.1 mJy, indicating a compact, flat-spectrum radio source. If NVSS J150229+555204 is indeed associated with 2FGL J1502.1+5548, then we find that its multiwavelength spectrum is consistent with a blazar at redshift z {approx} 3-4.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

HerMES: Candidate high-redshift galaxies discovered with Herschel/Spire

We present a method for selecting z > 4 dusty, star-forming galaxies (DSFGs) using Herschel/Spectral and Photometric Imaging Receiver 250/350/500 μm flux densities to search for red sources. We apply this method to 21 deg{sup 2} of data from the HerMES survey to produce a catalog of 38 high-z candidates. Follow-up of the first five of these sources confirms that this method is efficient at selecting high-z DSFGs, with 4/5 at z = 4.3-6.3 (and the remaining source at z = 3.4), and that they are some of the most luminous dusty sources known. Comparison with previous DSFG samples, mostly selected at longer wavelengths (e.g., 850 μm) and in single-band surveys, shows that our method is much more efficient at selecting high-z DSFGs, in the sense that a much larger fraction are at z > 3. Correcting for the selection completeness and purity, we find that the number of bright (S {sub 500} {sub μm} ≥ 30 mJy), red Herschel sources is 3.3 ± 0.8 deg{sup –2}. This is much higher than the number predicted by current models, suggesting that the DSFG population extends to higher redshifts than previously believed. If the shape of the luminosity function for high-z DSFGs is similar to that at z ∼ 2, rest-frame UV based studies may be missing a significant component of the star formation density at z = 4-6, even after correction for extinction.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Applications of fuzzy logic and best-worst method for tritium sensor selection

Accurate assessment of tritium as a fuel source is critical in fusion reactions, necessitating effective sensor evaluation methods. This study investigates a multi-criteria decision-making framework for selecting tritium sensors, integrating fuzzy logic to enhance decision quality. Initial attempts at applying fuzzy logic were found to be too elementary and failed to capture the complexity of multi-criteria selection; this prompted a refined approach that incorporated expert insights and advanced ranking techniques for sensor evaluation. The research used a two-stage methodology. In the first stage, important criteria and sub-criteria for sensor performance were identified and defined. These criteria were then weighted and scored using a fuzzy best-worst method, drawing upon expert opinions to ensure relevance and validity. The second stage involved interpreting information about varying sensors to rank them based on their overall criteria scores, encouraging the selection of the most suitable options. The result of the study is a proposed method for effective sensor selection in fusion reactors, which in turn will significantly improve the reliability of tritium monitoring in fusion applications.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Far-infrared Properties of Infrared-bright Dust-obscured Galaxies Selected with IRAS and AKARI Far-infrared All-sky Survey

We investigate the star-forming activity of a sample of infrared (IR)-bright dust-obscured galaxies (DOGs) that show an extreme red color in the optical and IR regime, (i−[22]){sub AB}>7.0. Combining an IR-bright DOG sample with the flux at 22 μm > 3.8 mJy discovered by Toba and Nagao with the IRAS faint source catalog version 2 and AKARI far-IR (FIR) all-sky survey bright source catalog version 2, we selected 109 DOGs with FIR data. For a subsample of seven IR-bright DOGs with spectroscopic redshifts (0.07<z<1.0) that were obtained from the literature, we estimated their IR luminosity, star formation rate (SFR), and stellar mass based on the spectral energy distribution fitting. We found that (1) the WISE 22 μm luminosity at the observed frame is a good indicator of IR luminosity for IR-bright DOGs and (2) the contribution of the active galactic nucleus to IR luminosity increases with IR luminosity. By comparing the stellar mass and SFR relation for our DOG sample and the literature, we found that most of the IR-bright DOGs lie significantly above the main sequence of star-forming galaxies at similar redshift, indicating that the majority of IRAS- or AKARI-detected IR-bright DOGs are starburst galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

OPERA models for predicting physicochemical properties and environmental fate endpoints

The collection of chemical structure information and associated experimental data for quantitative structure–activity/ property relationship (QSAR/QSPR) modeling is facilitated by an increasing number of public databases containing large amounts of useful data. However, the performance of QSAR models highly depends on the quality of the data and modeling methodology used. This study aims to develop robust QSAR/QSPR models for chemical properties of environmental interest that can be used for regulatory purposes. This study primarily uses data from the publicly available PHYSPROP database consisting of a set of 13 common physicochemical and environmental fate properties. These datasets have undergone extensive curation using an automated workflow to select only high-quality data, and the chemical structures were standardized prior to calculation of the molecular descriptors. The modeling procedure was developed based on the five Organization for Economic Cooperation and Development (OECD) principles for QSAR models. A weighted k-nearest neighbor approach was adopted using a minimum number of required descriptors calculated using PaDEL, an open-source software. The genetic algorithms selected only the most pertinent and mechanistically interpretable descriptors (2–15, with an average of 11 descriptors). The sizes of the modeled datasets varied from 150 chemicals for biodegradability half-life to 14,050 chemicals for logP, with an average of 3222 chemicals across all endpoints. The optimal models were built on randomly selected training sets (75%) and validated using fivefold cross-validation (CV) and test sets (25%). The CV Q2 of the models varied from 0.72 to 0.95, with an average of 0.86 and an R2 test value from 0.71 to 0.96, with an average of 0.82. Modeling and performance details are described in QSAR model reporting format and were validated by the European Commission’s Joint Research Center to be OECD compliant. All models are freely available as an open-source, command-line application called OPEn structure–activity/property Relationship App (OPERA). OPERA models were applied to more than 750,000 chemicals to produce freely available predicted data on the U.S. Environmental Protection Agency’s CompTox Chemistry Dashboard.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Evaluation of LLVM Flang for Production HPC Applications and Modern Fortran Features

In 2025, LLVM released its first Flang Fortran compiler version considered ready for widespread evaluation. We know of no published assessment of Flang compiling a workload- derived portfolio of high-performance computing (HPC) applications. We address this gap using workload data from the National Energy Research Scientific Computing Center (NERSC), which supports more than 10,000 scientists on approximately 1,000 projects. The NERSC workload analyses identify many Fortran components in heavily used applications. We selected 10 such packages with available source code. We compiled them with Flang 22.1.3 on NERSC’s Perlmutter system. Six compiled without code modifications, though some required build-system changes. Three compiled after minor source edits, mostly to address Fortran standard violations. One built only without OpenMP enabled. We evaluated seven additional packages selected for their use of, or enablement of, standard Fortran parallel features: multi-image execution and do concurrent. Six such codes compiled with most or all unit tests passing.

Rasmussen, Katherine↗