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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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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

Absolute calibration in the 1750 A-3350 A region

The absolute flux measurements in the rocket ultraviolet made by Bohlin, Frimout, and Lillie (BFL) are revised using a more correct treatment of the air extinction that enters the air calibration of their instrument. The absorption by molecular oxygen and ozone, Rayleigh scattering, and extinction by aerosols is tabulated for general use in ultraviolet calibrations performed in air. The revised absolute flux of Eta UMa and final fluxes for Alpha Lyr and Zeta Oph are presented in the 1750 A-3350 A region. The absolute flux of the star Eta UMa (B3 V) is compared to four other independent determinations in the 1200 A-3400 A region and a maximum difference of 35% is found near 1500 A between the OAO-2 and Apollo 17 fluxes. Longward of 1700 A the typical scatter in the different determinations is only plus or minus 5%. The rocket measurements of BFL, the ANS and TD-1 satellite data, and the Apollo 17 data are compared to the ultraviolet fluxes from the OAO-2, demonstrating a photometric reproducibility of about plus or minus 3%. Therefore, all four sets of spectrophotometry can be reduced to a common absolute scale.

Strongylis, G. J.↗
NASA NTRS1981

IUE ultraviolet observations of W UM a Stars

International Ultraviolet Explorer observations of four W UMa eclipsing binary systems (44 Boo, VW Cep, W UMa, and epsilon) are discussed. The stars generally show large surface fluxes of high temperature lines (C II, C IV, N V, Si IV) which may result from the high rotational velocities forced by synchronous rotation. High dispersion spectra of the 44 Boo system in the Mg II line enable the individual stellar components to be identified. The line widths and phase variations are consistent with the optically determined spectroscopic orbit. Circumstellar absorption of Mg II may be presented at selected phases.

Dupree, A. K.↗
NASA NTRS1981

Simultaneous X-ray and optical observations of an Ursae Majoris during a low state

In November 1975, AN UMa was detected as a soft X-ray source with a 0.1-0.4 keV flux which was modulated with the orbital cycle. In order to investigate further this orbital dependence and to correlate it with existing photometric and spectroscopic observations to aid in determining the geometry of the system, simultaneous X-ray and optical observations were made throughout several cycles of AN UMa. The system was in a low optical state during the observations. The X-ray observations were made with the Imaging Proportional Counter on the Einstein Observatory, yielding measurements over an available energy range of 0.1-4 keV. Attention is given to total X-ray flux, the X-ray light curve, optical and infrared data, and model implications.

Szkody, P.↗
NASA NTRS1982

Observations of mass accretion in binary stars

Results from high resolution observations of eight close binary stars (TX UMa, U CrB, CX Dra, TT Hya, AU Mon, KX And, HR 2142, and phi Per) are presented. Variable absorption lines, indicative of mass flow, are observed in all systems expect phi Per. Emission lines are seen in KX And and phi Per. Variable high ionization features (NV, SiIV, and CIV) are seen in TX UMa, UCrB, CX Dra, and AU Mon. The observations are modeled using the calculations of Lubow and Shu.

Polidan, R. S.↗
NASA NTRS1983

First detection of radio emission from a dwarf nova

The detection of 4.75 GHz radio emissions from a white dwarf star in SU UMa is reported, and the source of the emission is discussed. The emission was discovered during a survey of six dwarf stars with a double horn receiver system. SU UMa was successfully scanned 123 times, with each scan comprising 31 3-sec integrations 30 arcsec apart. Average fluxes for each beam position were calculated, as was the X ray emission of 7.6 x 10 to the 54th/cu cm in the 0.1-4.5 keV band. The small mass outflow projected for the object indicates a source of suprathermal electrons for the radio emissions A cyclotron maser instability is suggested as the mechanism, and future measurements to detect circular polarization as proof of a coherent source are indicated.

Benz, A. O.↗
NASA NTRS1985

A summary of the UV, optical and IR properties of disks in CV's

The available observations of dwarf novae and novalike systems that are relevant to the study of accretion in cataclysmic variables are reviewed. This includes UV data from IUE and optical spectroscopy and infrared photometry. The flux distributions are compared to available steady state models to obtain an estimate of the mass accretion and the range of this parameter among the dwarf novae (U Gem, Z Cam and SU UMa types) and the novalikes (UX UMa, AM Her, DQ Her types). The normal and abnormal range of variation in the continuum and line fluxes is discussed.

Szkody, P.↗
NASA NTRS1986

X-ray and optical observations of the ultrashort period dwarf nova SW Ursae Majoris - A likely new DQ Herculis star

Time-resolved X-ray and optical photometric and optical spectroscopic observations of the ultrashort period cataclysmic variable SW UMa are reported. The spectroscopic observations reveal the presence of an s-wave component which is almost in phase with the extreme line wings and presumably the white dwarf. This very unusual phasing in conjunction with the available optical and X-ray data seems to indicate that a region of enhanced emission exists on the opposite side of the disk from the expected location of the hot spot. The photometric observations reveal the presence of a hump in the light curve occurring at an orbital phase which is consistent with the phase at which the region of enhanced line emission is most favorably seen. Changes in the hump amplitude are seen from night to night, and a 15.9 min periodicity is evident in the light curve. The optical and X-ray periodicities suggest that SW UMa is a member of the DQ Her class of cataclysmic variables.

Shafter, A. W.↗
NASA NTRS1990

Gravitational radiation from the Galaxy

The spectral flux of gravitational radiation incident on earth from the Galactic W UMa binaries, unevolved binaries, cataclysmic binaries, neutron star binaries, black hole-neutron star binaries, and close white dwarf binary (CWDB) systems is calculated. The peak values for the strain amplitude hv produced by the binaries are: log hv = -17.0/sq rt Hz at log v = -4.40 Hz for W UMa's; log hv = -16.5/sq rt Hz at log v = -5.50 Hz for unevolved binaries; log hv = -18.2/sq rt Hz at log v = -5.15 Hz for neutron star binaries; log hv = -17.0/sq rt Hz at log v = -4.7 Hz for black hole-neutron star binaries; log hv = -18.0 /sq rt Hz at log v = -4.10 Hz for cataclysmic binaries, and log hv = -27.0/sq rt Hz at log v = -4.0 Hz for CWDBs. The gravitational flux at ultralow frequencies is emitted mainly by unevolved binaries. The integrated flux incident on earth is about 2.4 x 10 to the -9th ergs/sq cm/s.

Hils, D.↗
NASA NTRS1990

What we learn from eclipsing binaries in the ultraviolet

Recent results on stars and stellar physics from IUE (International Ultraviolet Explorer) observations of eclipsing binaries are discussed. Several case studies are presented, including V 444 Cyg, Aur stars, V 471 Tau and AR Lac. Topics include stellar winds and mass loss, stellar atmospheres, stellar dynamos, and surface activity. Studies of binary star dynamics and evolution are discussed. The progress made with IUE in understanding the complex dynamical and evolutionary processes taking place in W UMa-type binaries and Algol systems is highlighted. The initial results of intensive studies of the W UMa star VW Cep and three representative Algol-type binaries (in different stages of evolution) focused on gas flows and accretion, are included. The future prospects of eclipsing binary research are explored. Remaining problems are surveyed and the next challenges are presented. The roles that eclipsing binaries could play in studies of stellar evolution, cluster dynamics, galactic structure, mass luminosity relations for extra galactic systems, cosmology, and even possible detection of extra solar system planets using eclipsing binaries are discussed.

Guinan, Edward F.↗
NASA NTRS1991

The optical emission from oscillating white dwarf radiative shock waves

The hypothesis that quasi-periodic oscillations (QPOs) are due to the oscillatory instability of radiative shock waves discovered by Langer et al. (1981, 1092) is examined. The time-dependent optical spectra of oscillating radiative shocks produced by flows onto magnetic white dwarfs are calculated. The results are compared with the observations of the AM Her QPO sources V834 Cen, AN UMa, EF Eri, and VV Pup. It is found that the shock oscillation model has difficulties with aspects of the observations for each of the sources. For VV Pup, AN UMa, and V834 Cen, the cyclotron luminosities for the observed magnetic fields of these systems, based on our calculations, are large. The strong cyclotron emission probably stabilizes the shock oscillations. For EF Eri, the mass of the white dwarf based on hard X-ray observations is greater than 0.6 solar mass.

Imamura, James N.↗
NASA NTRS1991

Ultraviolet light curves of V535 Arae

The light curve of V535 Ara is determined from observations of this long-period W UMa binary in the UV, and its gravity darkening is estimated. The UV colors and spectral type correspond to (B - V)0 = 0.24, or A8V, and imply that the star should have very little residual convection in its envelope. It is concluded that the gravity darkening is large, as in a radiative star, unless it is modified by circulation in the common envelope, or unless all stars this warm are convective. Four solutions are obtained to a combination of optical and UV light curves, two for high radiative gravity darkening, and two for low convective gravity darkening. The light curves were fitted equally well in all four cases, while in all but the one with low-gravity darkening and a hot inner face there was a rather large global temperature difference between the two stars. It is suggested that the W UMa binaries are found only at spectral types later than about A8 because their outer envelopes must be convective to transfer luminosity.

Eaton, Joel A.↗
NASA NTRS1993

Investigation of serendipitious WFC sources

The serendipitious WFC sources under investigation, i.e., those which just happened to lie in the field of view while another object was being studied, were disappointing. The integration times were chosen to suit the primary target not the serendipitous targets. UX UMa, CZ Ori, BI Ori, WX Cet and AR And were not detected. A long (approximately 17 ksec) pointed observation of UX Uma (PI Wood) has since been carried out (February 1993) and the data is expected shortly. The other observations were much more successful. V471 Tau was observed with the WFC for 6.5 hrs with the S1 filter and 1.1 hrs with the S2b filter. It was easily detected with a count rate of 0.03 cps in the S1 filter and 0.15 cps in the S2b filter. The oscillations were seen, even before the data was folded, as was expected from preliminary results from the survey (Barstow et al. 1992). The pointed observations provide a much better phase coverage of the oscillations than did the survey data where the coverage was sparse. These data will be presented in a paper with the PSPC data (PI's Robinson and Shipman) and the pulse profiles in the different wavelengths will be compared.

Robinson, Edward L.↗
NASA NTRS1994

ASCA X-ray spectra of the active single stars Beta Ceti and pi(1) Ursae Majoris

We present X-ray spectra obtaiined by ASCA of two single, active stars, the G dwarf pi(1) UMa, and the G9/K0 giant Beta Cet. The spectra of both stars require the presence of at least two plasma components with different temperatures, 0.3-0.4 keV and approximately 0.7 keV, in order for acceptable fits to be obtained. The spectral resolving power and signal-to-noise ratio of the solid state imaging spectrometer (SIS) spectra allow us to formally constrain the coronal abundances of a number of elements. In Beta Cet, we find Mg to be overabundant, while other elements such as O, Ne, and N are underabundant, relative to the solar photospheric values. From the lower signal-to-noise ratio SIS spectrum of pi(1) UMa, we find evidence for underabundances of O, Ne, and Fe. These results are discussed in the context of the present understanding of elemental abundances in solar and stellar coronae.

Drake, S. A.↗
NASA NTRS1995

The minimum mass ratio of W Ursae Majoris binaries

The minimum mass ratio for tidal stability of a contact binary containing two unevolved main-sequence stars is calculated to be q(sub min) approximately =0.09 in the case of a mostly radiative primary, and it is higher if an appreciable fraction of the mass lies in a convective envelope. At least one observed system, AW UMa, has a mass ratio just below this value (q = 0.075), implying that, if the system is stable, the primary must be slightly evolved and must have a very shallow convective envelope. Contact binaries with mass ratios significantly below that of AW UMa should not be observed, since they are tidally unstable and quickly merge into a single, rapidly rotating object, on a timescale approximately 10(exp 3)-10(exp 4) yr.

Rasio, Frederic A.↗
NASA NTRS2000

UV Chromospheric Activity in Cool, Short-Period Contact Binaries

We have completed our analysis of the IUE spectra of the short-period contact binary OO Aql. OO Aql is a rare W UMa-type eclipsing binary in which the two solar-type stars may have only recently evolved into contact. The binary has an unusually high mass ratio (0.84), and a relatively long orbital period (0.506 d) for its spectral type (mid-G). Twelve ultraviolet spectra of OO Aql were obtained in 1988 with the IUE satellite, including a series of consecutive observations that cover nearly a complete orbital cycle. Chromospheric activity is studied by means of the Mg II h+k emission at 2800 A. The Mg II emission is found to vary, even when the emission is normalized to the adjacent continuum flux. This variation may be correlated with orbital phase in the 1988 observations. It also appears that the normalized Mg H emission varies with time, as seen in spectra obtained at two different epochs in 1988 and when compared with two spectra obtained several years earlier. The level of chromospheric activity in OO Aql is less than that of other W UMa-type binaries of similar colors, but this is attributed to its early stage of contact binary evolution. Ultraviolet light curves were composed from measurements of the ultraviolet continuum in the spectra. These were analyzed along with visible light curves of OO Aql to determine the system parameters. The large wavelength range in the light curves enabled a well-constrained fit to a cool spot in the system. A paper on these results is scheduled for publication in the February 2001 issue of the Astronomical Journal.

Hrivnak, Bruce J.↗
NASA NTRS2012

The Shape of Long Outbursts in U Gem Type Dwarf Novae from AAVSO Data

We search the American Association of Variable Star Observers (AAVSO) archives of the two best studied dwarf novae in an attempt to find light curves for long out bursts that are extremely well-characterized. The systems are U Gem and S8 Cyg. Our goal is to search for embedded precursors such as those that have been found recently in the high fidelity Kepler data for superoutbursts of some members of the 8U UMa subclass of dwarf novae. For the vast majority of AAV80 data, the combination of low data cadence and large errors associated with individual measurements precludes one from making any strong statement about the shape of the long outbursts. However, for a small number of outbursts, extensive long term monitoring with digital photometry yields high fidelity light curves. We report the finding of embedded precursors in two of three candidate long outbursts. This reinforces van Paradijs' finding that long outbursts in dwarf novae above the period gap and superoutbursts in systems below the period gap constitute a unified class. The thermal-tidal instability to account for superoutbursts in the SU UMa stars predicts embedded precursors only for short orbital period dwarf novae, therefore the presence of embedded precursors in long orbital period systems - U Gem and SS Cyg - argues for a more general mechanism to explain long outbursts.

Cannizzo, John K.↗
DOE OSTI2025

A Universal Augmentation Framework for Long-Range Electrostatics in Machine Learning Interatomic Potentials

Most current machine learning interatomic potentials (MLIPs) rely on short-range approximations, without explicit treatment of long-range electrostatics. To address this, we recently developed the Latent Ewald Summation (LES) method, which infers electrostatic interactions, polarization, and Born effective charges (BECs), just by learning from energy and force training data. Here, in this study, we present LES as a standalone library, compatible with any short-range MLIP, and demonstrate its integration with methods such as MACE, NequIP, Allegro, CACE, CHGNet, and UMA. We benchmark LES-enhanced models on distinct systems, including bulk water, polar dipeptides, and gold dimer adsorption on defective substrates, and show that LES not only captures correct electrostatics but also improves accuracy. Additionally, we scale LES to large and chemically diverse data by training MACELES-OFF on the SPICE set containing molecules and clusters, making a universal MLIP with electrostatics for organic systems, including biomolecules. MACELES-OFF is more accurate than its short-range counterpart (MACE-OFF) trained on the same data set, predicts dipoles and BECs reliably, and has better descriptions of bulk liquids. By enabling efficient long-range electrostatics without directly training on electrical properties, LES paves the way for electrostatic foundation MLIPs.

Kim, Dongjin [University of California, Berkeley, ↗
DOE OSTI2026

matsim-agents v1.0

matsim-agents is a multi-agent AI framework for atomistic materials simulation and discovery. It orchestrates large language models (LLMs), machine-learned interatomic potentials (MLIPs), and DFT codes into a single agentic loop running on laptops and DOE leadership-class supercomputers. MULTI-AGENT ORCHESTRATION A LangGraph state machine with three nodes: a Planner that converts a natural-language research objective into structured tasks; an Executor that dispatches atomistic tools and loops until the queue is empty; and an Analyst that summarizes results into a human-readable report. State is checkpointed after every step and human-in-the-loop gates can be inserted at any edge. HYPOTHESIS-DRIVEN DISCOVERY CHAT An interactive REPL (matsim-agents chat) that couples LLM dialogue with atomistic simulation. Chemical formulas are automatically detected in conversation turns and trigger a full crystal-phase exploration: structure generation → relaxation → stability scoring → result injection back into the conversation, creating a closed hypothesis-refinement loop. CRYSTAL PHASE ENUMERATION Given a composition, the phase explorer enumerates prototypes by stoichiometry: elemental (fcc/bcc/hcp/sc/diamond), binary 1:1 (rocksalt/CsCl/zincblende/ wurtzite/fluorite/rutile), ternary 1:1:3 (cubic perovskite), ternary 1:2:4 (perovskite + spinel), quaternary 1:1:2:6 (Fm-3m double perovskite). 2-D prototypes (graphene, h-BN, MoS2 2H/1T) and multilayer stacking are also supported via --include-2d and --num-layers. SUPERCELL GENERATION AND SITE DECORATION Auto-tiling to a minimum atom count (--min-atoms), explicit NxNxN tiling (--supercell), symmetry-distinct site decorations (--n-orderings), and isotropic lattice-scale sweeps (--lattice-scales) for volume bracketing. MLFF RELAXATION AND STABILITY SCORING HydraGNN (multi-headed GNN) drives structure relaxation via ASE with FIRE, BFGS, or BFGSLineSearch. Stability output: delta-E/atom ranking across phases and a max-residual-force dynamical-stability proxy. Other MLIPs (MACE, NequIP, Orb) can be plugged in through the same interface. DFT BACKENDS Quantum ESPRESSO pw.x and VASP 6.6 are first-class labellers. Both have validated GPU builds and SLURM/PBS launchers for three DOE platforms: Frontier (AMD MI250X, ROCm), Aurora (Intel PVC, oneAPI), Perlmutter (NVIDIA A100, CUDA). QE produces ~100 binaries (pw.x, ph.x, epw.x, ...). VASP supports scf, relax, vc-relax, and vc-relax-shape run types. ACTIVE-LEARNING LOOP matsim-agents al run CONFIG.yaml drives an iterative HydraGNN-DFT loop: MD generates candidates → ensemble/MC-dropout uncertainty selects the most informative → DFT labels them in parallel inside one allocation → dataset grows → HydraGNN retrains → repeat. DFT backend is a single YAML toggle (dft.backend: vasp | qe). LLM-generated seed structures are supported (no curated POSCAR library needed). Config uses ${VAR}, ${VAR:-default}, ${VAR:?msg} shell-style substitution for cross-user/cross-site portability. LLM BACKENDS Ollama (local, default), vLLM (HPC multi-GPU serving), OpenAI, Anthropic, HuggingFace Transformers+Accelerate. Selected at runtime via flag or env var with no code changes. HPC PORTABILITY Same Python entry points run on Frontier (ROCm 7.2), Aurora (oneAPI), and Perlmutter (CUDA 12). DFT and ML stacks are never co-loaded in the same shell; they couple through the scheduler and filesystem. Advanced multi-node launchers (serve, discovery-chat, single-relaxation, active-learning, QE warm-start) are provided for all three platforms. CODABENCH COMPETITION BUNDLE A self-contained benchmark: 159 atomistic test structures across 11 material classes, 5 tasks (formation energy, forces, ML relaxation, AI-DFT relaxation, phase stability ranking), public/private leaderboard split (30/70), and four ready-to-run baselines: MACE-MP-0, HydraGNN, UMA, AllScAIP.

Lupo Pasini, Massimiliano [Oak Ridge National Labo↗