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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS2022

Polarization Constraints on the X-ray Corona in Seyfert Galaxies: MCG-05-23-16

We report on the first observation of a radio-quiet Active Galactic Nucleus (AGN) inpolarized X-rays: the Seyfert 1.9 galaxy MCG-05-23-16. This source was pointed at with theImaging X-ray Polarimetry Explorer(IXPE) starting on May 14, 2022 for a net observing timeof 486 ks, simultaneously with XMM-Newton(58 ks) andNuSTAR(83 ks). A polarizationdegreeΠsmaller than 4.7% (at the 99% confidence level) is derived in the 2–8 keV energyrange, where emission is dominated by the primary component ascribed to the hot corona.The broad-band spectrum, inferred from a simultaneous fit to theIXPE,NuSTAR, and XMM-Newtondata, is well reproduced by a power law with photon indexΓ=1.85±0.01and ahigh-energy cutoffEC=120±15keV. A comparison with Monte Carlo simulations showsthat a lamp-post and a conical geometry of the corona are consistent with the observed upperlimit, a slab geometry is allowed only if the inclination angle of the system is less than 50◦

A Marinucci↗
NASA NTRS1982

Documentation for the machine-readable version of the Morphological Catalogue of Galaxies (MCG) of Vorontsov-Velyaminov et al, 1962-1968

Modifications, corrections, and the record format are provided for the machine-readable version of the "Morphological Catalogue of Galaxies.' In addition to hundreds of individual corrections, a detailed comparison of the machine-readable with the published catalogue resulted in the addition of 116 missing objects, the deletion of 10 duplicate records, and a format modification to increase storage efficiency.

Warren, W. H., Jr.↗
DOE OSTI2025

Multiple Carrier Generation at an Exceptionally Low Energy Threshold

Multiple carrier generation (MCG), a process wherein two or more carriers are generated from a single high-energy absorbed photon, holds immense promise for quantum sensing, metrology, low-threshold lasers, and photovoltaics. Despite its potential, MCG has faced obstacles such as low efficiency and a high threshold photon energy at least twice the band gap (2?Eg) of the semiconductor, limiting its application only to a class of materials with low Eg. Here, we present a new approach that overcomes this limitation by leveraging carrier-donor scattering to excite secondary electrons from donor states strategically positioned below the conduction band. Our method relies on strong Coulomb interaction, reduced dielectric screening, slow hot carrier cooling, and strictly follows the energy conservation rules. We experimentally demonstrated this idea in a model system of monolayer (1L) MoS2 by exploiting electron-donating chalcogen vacancy states. We observed an exceptionally low MCG threshold of ~1.12?Eg for the first time in 1L MoS2. Remarkably, the quantum yield can be further increased to >3 by increasing the photon energy to 1.65?Eg, representing a substantial advancement over existing methods. Our findings extend the horizon of MCG into next-generation high-performance optoelectronic devices with an on-demand operating spectral range spanning from infrared to ultraviolet.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗
DOE OSTI2024

CoarsenConf: Equivariant Coarsening with Aggregated Attention for Molecular Conformer Generation

Molecular conformer generation (MCG) is an important task in cheminformatics and drug discovery. The ability to efficiently generate low-energy 3D structures can avoid expensive quantum mechanical simulations, leading to accelerated virtual screenings and enhanced structural exploration. Several generative models have been developed for MCG, but many struggle to consistently produce high-quality conformers for meaningful downstream applications. To address these issues, we introduce CoarsenConf, which coarse-grains molecular graphs based on torsional angles and integrates them into an SE(3)-equivariant hierarchical variational autoencoder. Through equivariant coarse-graining, we aggregate the fine-grained atomic coordinates of subgraphs connected via rotatable bonds, creating a variable-length coarse-grained latent representation. Our model uses a novel aggregated attention mechanism to restore fine-grained coordinates from the coarse-grained latent representation, enabling efficient generation of accurate conformers. Furthermore, we evaluate the chemical and biochemical quality of our generated conformers on multiple downstream applications, including property prediction and large-scale oracle-based protein docking. Overall, CoarsenConf generates more accurate conformer ensembles compared to prior generative models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Piperidine CD4-Mimetic Compounds Expose Vulnerable Env Epitopes Sensitizing HIV-1-Infected Cells to ADCC

The ability of the HIV-1 accessory proteins Nef and Vpu to decrease CD4 levels contributes to the protection of infected cells from antibody-dependent cellular cytotoxicity (ADCC) by preventing the exposure of Env vulnerable epitopes. Small-molecule CD4 mimetics (CD4mc) based on the indane and piperidine scaffolds such as (+)-BNM-III-170 and (S)-MCG-IV-210 sensitize HIV-1-infected cells to ADCC by exposing CD4-induced (CD4i) epitopes recognized by non-neutralizing antibodies that are abundantly present in plasma from people living with HIV. Here, we characterize a new family of CD4mc, (S)-MCG-IV-210 derivatives, based on the piperidine scaffold which engages the gp120 within the Phe43 cavity by targeting the highly conserved Asp 368 Env residue. We utilized structure-based approaches and developed a series of piperidine analogs with improved activity to inhibit the infection of difficult-to-neutralize tier-2 viruses and sensitize infected cells to ADCC mediated by HIV+ plasma. Moreover, the new analogs formed an H-bond with the α-carboxylic acid group of Asp 368 , opening a new avenue to enlarge the breadth of this family of anti-Env small molecules. Overall, the new structural and biological attributes of these molecules make them good candidates for strategies aimed at the elimination of HIV-1-infected cells.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1978

Uhuru observations of X-ray emission from Seyfert galaxies

A point summation technique has been used to analyze systematically the Uhuru data for X-ray emission from the 88 Seyfert galaxies listed by Weedman (1977), plus MCG 8-11-11 reported by the Ariel 5 group. In addition to measuring the average X-ray intensity for 15 sources reported in the 4U and 2A catalogs, three new candidate sources are found. X-ray variability has previously been reported for NGC 4151, 3C 390.3, and MCG 8-11-11; Mrk 279 is now also found to vary. Furthermore, significant flaring activity from NGC 4151 was observed with as much as a factor of 10 increase in intensity on a time possibly as short as 730 seconds. The local X-ray volume emissivity of Seyfert galaxies is measured, and it is found, with standard assumptions, that from 6% to 25% of the diffuse 2-10-keV X-ray background can be attributed to emission from Seyfert galaxies. The data show that the luminosity function for X-ray Seyferts is rather steep.

Tananbaum, H.↗
NASA NTRS1995

Theoretical and Observational Studies of the Central Engines of AGN

In Active Galactic Nuclei (AGN) the luminosity is so intense that the effect of radiation pressure on a particle may exceed the gravitational attraction. It was shown that when such luminosities are reached, relatively cold (not completely ionized) thermal matter clouds may form in the central engines of AGN, where most of the luminosity originates. We show that the spectrum of emission from cold clouds embedded in hot relativistic matter is similar to the observed spectrum. We also show that within the hot relativistic matter, cold matter moves faster than the speed of sound or the Alfven speed, and shocks form. The shocks provide a mechanism by which a localized perturbation can propagate throughout the central engine. The shocked matter can emit the observed luminosity, and can explain the flux and spectral variability. It may also provide an efficient mechanism for the outward transfer of angular momentum and provide the outward flow of winds. With observations from X-ray satellites, emission features from the cold and hot matter may be revealed. Our analysis of X-ray data from the Seyfert 1 galaxy MCG - 6-30-15 over five years using detectors on the Ginga and Rosat satellites, revealed some interesting variable features. A source with hot matter emits non-thermal radiation which is Compton reflected from cold matter and then absorbed by warm (partially ionized) absorbing matter in the first model, which can be fit to the data if both the cold and warm absorbers are near the central engine. An alternative model in which the emission from the hot matter is partially covered by very warm matter (in which all elements except Iron are mostly ionized) is also successful. In this model the cold and warm matter may be at distances of up to 100 times the size of the central engine, well within the region where broad optical lines are produced. The flux variability is more naturally explained by the second model. Our results support the existence of cold matter in, or near, the central engine of MCG -6-30-15. Cold matter in the central engine, and evidence of the effects of shocks, is probably forthcoming with future X-ray satellites.

Sivron, Ran↗
NASA NTRS1997

Laboratory Plasma Source as an MHD Model for Astrophysical Jets

The significance of the work described herein lies in the demonstration of Magnetized Coaxial Plasma Gun (MCG) devices like CPS-1 to produce energetic laboratory magneto-flows with embedded magnetic fields that can be used as a simulation tool to study flow interaction dynamic of jet flows, to demonstrate the magnetic acceleration and collimation of flows with primarily toroidal fields, and study cross field transport in turbulent accreting flows. Since plasma produced in MCG devices have magnetic topology and MHD flow regime similarity to stellar and extragalactic jets, we expect that careful investigation of these flows in the laboratory will reveal fundamental physical mechanisms influencing astrophysical flows. Discussion in the next section (sec.2) focuses on recent results describing collimation, leading flow surface interaction layers, and turbulent accretion. The primary objectives for a new three year effort would involve the development and deployment of novel electrostatic, magnetic, and visible plasma diagnostic techniques to measure plasma and flow parameters of the CPS-1 device in the flow chamber downstream of the plasma source to study, (1) mass ejection, morphology, and collimation and stability of energetic outflows, (2) the effects of external magnetization on collimation and stability, (3) the interaction of such flows with background neutral gas, the generation of visible emission in such interaction, and effect of neutral clouds on jet flow dynamics, and (4) the cross magnetic field transport of turbulent accreting flows. The applicability of existing laboratory plasma facilities to the study of stellar and extragalactic plasma should be exploited to elucidate underlying physical mechanisms that cannot be ascertained though astrophysical observation, and provide baseline to a wide variety of proposed models, MHD and otherwise. The work proposed herin represents a continued effort on a novel approach in relating laboratory experiments to astrophysical jet observation. There exists overwhelming similarity among these flows that has already produced some fascinating results and is expected to continue a high pay off in future flow similarity studies.

Mayo, Robert M.↗
NASA NTRS2002

Evidence of Spin and Energy Extraction in a Galactic Black Hole Candidate: The XMM-NEWTON/EPIC SPECTRUM of XTE 11650-500

We observed the Galactic black hole candidate XTE J1650-500 early in its fall of 2001 outburst with the XMM-Newton European Photon Imaging pn Camera (EPIC-pn). The observed spectrum is consistent with the source having been in the very high state. We h d a broad, skewed Fe Kar emission line that suggests the primary in this system may be a Kerr black hole and that indicates a steep disk emissivity profile that is hard to explain in terms of a standard accretion disk model. These results are quantitatively and qualitatively similar to those from an XMM-Newton observation of the Seyfert galaxy MCG -6-30-15. The steep emissivity in MCG -6-30-15 may be explained by the extraction and dissipation of rotational energy from a black hole with nearly maximal angular momentum or from material in the plunging region via magnetic connections to the inner accretion disk. If this process is at work in both sources, an exotic but fundamental general relativistic prediction may be confirmed across a factor of l0(exp 6) in black hole mass. We discuss these results in terms of the accretion flow geometry in stellar-mass black holes and the variety of enigmatic phenomena often observed in the very high state.

Miller, J. M.↗
NASA NTRS2005

Integral Observations of the Reflection Component of Seyfert Galaxies

The data were analyzed by Dr. Fabian's student Adrian Turner and included in his thesis (completed Sept 2004). We did not detect MCG-6 using the then current software and the spectrum of the Circinus galaxy turned out to be even worse then the published BeppoSAX spectrum. We decided not to do any more work on it. We were contacted about the data in March by Thierry Courvoisier (the data were thea public) as he had a student, Simona Soidi, working on a compilation of spectra. Dr. Fabian sent them the chapter from Adrian's thesis and we provided some general comments on what they were doing on 6 objects. This has since been accepted for publication with Fabian as a co-author. A paper on the Integral AGN catalogue appeared on astro-ph a few days ago which contains an detection of MCG-6 with a very poor spectrum. We didn't detect it because the software back then required a source to be detected within something like 30 min exposure in order to work. Integral is NOT very sensitive.

Fabian, Andrew↗
DOE OSTI2021

Probing Molecular Assembly of Small Organic Molecules during Meniscus-Guided Coating Using Experimental and Molecular Dynamics Approaches

Evaporation-based thin-film coating processes are ubiquitous in fields such as organic electronics, dye coatings, and the pharmaceutical industry. Based on experimental observations of enhanced thin-film alignment during meniscus-guided coating (MGC), a molecular dynamics simulation was developed to describe the thin-film formation that occurs due to the interplay between evaporation and fluid dynamics. The process of solvent evaporation from solution is first examined, which leads to the formation of a solid thin film after evaporation is complete. Next, an MGC process was simulated by introducing a flow profile coupled with the evaporative system. In this work, we gain insights into how molecules respond and reorient in the presence of a flow profile. These results indicate that both the evaporation and the flow profile have an impact on orienting small molecules in a thin film during the MCG process. Combining experimental techniques with simulations helps enhance the understanding of the forces that are significant in directing molecular aggregation during coating processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The History of Monte Carlo and MCNP at Los Alamos [Slides]

The Monte Carlo method for radiation particle transport has its origins at LANL dating back to the 1940’s. The creators of these methods were Drs. Stanislaw Ulam, John von Neumann, Robert Richtmyer, and Nicholas Metropolis. Monte Carlo methods for particle transport have been driving computational developments since the beginning of modern computers; this continues today. In the 1950’s and 1960’s, these new methods were organized into a series of special-purpose Monte Carlo codes, including MCS, MCN, MCP, and MCG. These codes were able to transport neutrons and photons for specialized LANL applications. In 1977, these separate codes were combined to create the LANL Monte Carlo N-Particle (MCNP) radiation particle transport code. In 1983, MCNP3 was released for public distribution to the Radiation Safety Information Computational Center (RSICC). MCNP6.3 will be released late in 2021. Each year, LANL has ~100 MCNP new users and RSICC ~1250 new licenses distributed. This talk will review the Los Alamos history of the development of the modern Monte Carlo method and MCNP.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

The BAT AGN Spectroscopic Survey. XVIII. Searching for Supermassive Black Hole Binaries in X-Rays

Theory predicts that a supermassive black hole binary (SMBHB) could be observed as a luminous active galactic nucleus (AGN) that periodically varies on the order of its orbital timescale. In X-rays, periodic variations could be caused by mechanisms including relativistic Doppler boosting and shocks. In this paper we present the first systematic search for periodic AGNs using 941 hard X-ray light curves (14–195 keV) from the first 105 months of the Swift Burst Alert Telescope (BAT) survey (2004–2013). We do not find evidence for periodic AGNs in Swift-BAT, including the previously reported SMBHB candidate MCG+11–11–032. We find that the null detection is consistent with the combination of the upper-limit binary population in AGNs in our adopted model, their expected periodic variability amplitudes, and the BAT survey characteristics. We have also investigated the detectability of SMBHBs against normal AGN X-ray variability in the context of the extended ROentgen Survey with an Imaging Telescope Array (eROSITA) survey. Under our assumptions of a binary population and the periodic signals they produce, which have long periods of hundreds of days, up to 13% true periodic binaries can be robustly distinguished from normal variable AGNs with the ideal uniform sampling. However, we demonstrate that realistic eROSITA sampling is likely to be insensitive to long-period binaries because longer observing gaps reduce their detectability. In contrast, large observing gaps do not diminish the prospect of detecting binaries of short, few-day periods, as 19% can be successfully recovered, the vast majority of which can be identified by the first half of the survey.

79 ASTRONOMY AND ASTROPHYSICS↗