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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Advances and Challenges of SCAN and r 2 SCAN Density Functionals in Transition‐Metal Compounds

ABSTRACT Transition‐metal compounds (TMCs) with open‐shell d ‐electrons are characterized by a complex interplay of lattice, charge, orbital, and spin degrees of freedom, giving rise to various fascinating applications. Often exhibiting exotic properties, these compounds are commonly classified as correlated systems due to strong inter‐electronic interactions called Hubbard U . This inherent complexity presents significant challenges to Kohn‐Sham density functional theory (KS‐DFT), the most widely used electronic structure method in condensed matter physics and materials science. While KS‐DFT is, in principle, exact for the ground‐state total energy, its exchange‐correlation energy must be approximated in practice. The mean‐field nature of KS implementations, combined with the limitations of current exchange‐correlation density functional approximations, has led to the perception that DFT is inadequate for correlated systems, particularly TMCs. Consequently, a common workaround involves augmenting DFT with an on‐site Hubbard‐like U correction. In recent years, the strongly constrained and appropriately normed (SCAN) density functional, along with its refined variant r 2 SCAN, has achieved remarkable progress in accurately describing the structural, energetic, electronic, magnetic, and vibrational properties of TMCs, challenging the traditional perception of DFT's limitations. This review explores the design principles of SCAN and r 2 SCAN, highlights their key advancements in studying TMCs, explains the mechanisms driving these improvements, and addresses the remaining challenges in this evolving field.

Zhang, Yubo [Minjiang Collaborative Center for The↗
DOE OSTI2020

Electrode-molecule energy level offsets in a gold-benzene diamine-gold single molecule tunnel junction

One means for describing electron transport across single molecule tunnel junctions (MTJs) is to use density functional theory (DFT) in conjunction with a nonequilibrium Green’s function formalism. This description relies on interpreting solutions to the Kohn–Sham (KS) equations used to solve the DFT problem as quasiparticle (QP) states. Many practical DFT implementations suffer from electron self-interaction errors and an inability to treat charge image potentials for molecules near metal surfaces. For MTJs, the overall effect of these errors is typically manifested as an overestimation of electronic currents. Correcting KS energies for self-interaction and image potential errors results in MTJ current–voltage characteristics in close agreement with measured currents. An alternative transport approach foregoes a QP picture and solves for a many-electron wavefunction on the MTJ subject to open system boundary conditions. It is demonstrated that this many-electron method provides similar results to the corrected QP picture for electronic current. The analysis of these two distinct approaches is related through corrections to a junction’s electronic structure beyond the KS energies for the case of a benzene diamine molecule bonded between two gold electrodes.

Szepieniec, Mark S.↗
DOE OSTI2021

Efficacy of the radial pair potential approximation for molecular dynamics simulations of dense plasmas

Macroscopic simulations of dense plasmas rely on detailed microscopic information that can be computationally expensive and is difficult to verify experimentally. In this work, we delineate the accuracy boundary between microscale simulation methods by comparing Kohn–Sham density functional theory molecular dynamics (KS-MD) and radial pair potential molecular dynamics (RPP-MD) for a range of elements, temperature, and density. By extracting the optimal RPP from KS-MD data using force matching, we constrain its functional form and dismiss classes of potentials that assume a constant power law for small interparticle distances. Our results show excellent agreement between RPP-MD and KS-MD for multiple metrics of accuracy at temperatures of only a few electron volts. The use of RPPs offers orders of magnitude decrease in computational cost and indicates that three-body potentials are not required beyond temperatures of a few eV. Due to its efficiency, the validated RPP-MD provides an avenue for reducing errors due to finite-size effects that can be on the order of ∼20%.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

String theory and grand unification suggest a submicroelectronvolt QCD axion

Axions, grand unification, and string theory are each compelling extensions of the Standard Model. We show that combining these frameworks imposes strong constraints on the QCD axion mass. Using perturbative unitarity arguments and explicit string compactifications—such as those from the Kreuzer-Skarke (KS) type IIB ensemble—we find that the axion mass is favored to lie within the range 10 −11 eV ≲ 𝑚 𝑎 ≲ 10 −8 eV. This range is directly relevant for near-future axion dark matter searches, including ABRACADABRA/DMRadio and CASPEr. We argue that grand unification and the absence of proton decay suggest a compactification volume that keeps the string scale above the unification scale ( ∼ 10 16 GeV), which in turn limits how heavy the axion can be. The same requirements limit the KS axiverse to have at most ∼ 47 axions. As an additional application of our methodology, we search for axions in the KS axiverse that could explain the recent Dark Energy Spectroscopic Instrument hints of evolving dark energy but find none with high enough decay constant (𝑓 𝑎 ≳ 2.5 ×10 17 GeV); we comment on why such high decay constants and low axion masses are difficult to obtain in string compactifications more broadly.

Axions↗
DOE OSTI2020

Fast and Universal Kohn-Sham Density Functional Theory Algorithm for Warm Dense Matter to Hot Dense Plasma

Understanding many processes, e.g., fusion experiments, planetary interiors, and dwarf stars, depends strongly on microscopic physics modeling of warm dense matter and hot dense plasma. This complex state of matter consists of a transient mixture of degenerate and nearly free electrons, molecules, and ions. This regime challenges both experiment and analytical modeling, necessitating predictive ab initio atomistic computation, typically based on quantum mechanical Kohn-Sham density functional theory (KS-DFT). However, cubic computational scaling with temperature and system size prohibits the use of DFT through much of the warm dense matter regime. A recently developed stochastic approach to KS-DFT can be used at high temperatures, with the exact same accuracy as the deterministic approach, but the stochastic error can converge slowly and it remains expensive for intermediate temperatures (< 50 eV). Here we have developed a universal mixed stochastic-deterministic algorithm for DFT at any temperature. This approach leverages the physics of KS-DFT to seamlessly integrate the best aspects of these different approaches. We demonstrate that this method significantly accelerated self-consistent field calculations for temperatures from 3 to 50 eV, while producing stable molecular dynamics and accurate diffusion coefficients.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Automated Identification of Characteristic Droplet Size Distributions in Stratocumulus Clouds Utilizing a Data Clustering Algorithm

Abstract Droplet-level interactions in clouds are often parameterized by a modified gamma fitted to a “global” droplet size distribution. Do “local” droplet size distributions of relevance to microphysical processes look like these average distributions? This paper describes an algorithm to search and classify characteristic size distributions within a cloud. The approach combines hypothesis testing, specifically, the Kolmogorov–Smirnov (KS) test, and a widely used class of machine learning algorithms for identifying clusters of samples with similar properties: density-based spatial clustering of applications with noise (DBSCAN) is used as the specific example for illustration. The two-sample KS test does not presume any specific distribution, is parameter free, and avoids biases from binning. Importantly, the number of clusters is not an input parameter of the DBSCAN-type algorithms but is independently determined in an unsupervised fashion. As implemented, it works on an abstract space from the KS test results, and hence spatial correlation is not required for a cluster. The method is explored using data obtained from the Holographic Detector for Clouds (HOLODEC) deployed during the Aerosol and Cloud Experiments in the Eastern North Atlantic (ACE-ENA) field campaign. The algorithm identifies evidence of the existence of clusters of nearly identical local size distributions. It is found that cloud segments have as few as one and as many as seven characteristic size distributions. To validate the algorithm’s robustness, it is tested on a synthetic dataset and successfully identifies the predefined distributions at plausible noise levels. The algorithm is general and is expected to be useful in other applications, such as remote sensing of cloud and rain properties. Significance Statement A typical cloud can have billions of drops spread over tens or hundreds of kilometers in space. Keeping track of the sizes, positions, and interactions of all of these droplets is impractical, and, as such, information about the relative abundance of large and small drops is typically quantified with a “size distribution.” Droplets in a cloud interact locally, however, so this work is motivated by the question of whether the cloud droplet size distribution is different in different parts of a cloud. A new method, based on hypothesis testing and machine learning, determines how many different size distributions are contained in a given cloud. This is important because the size distribution describes processes such as cloud droplet growth and light transmission through clouds.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

GLBRC Soil Yearlong Incubation 13C-SIP-Lipidomics

Data package for Lipids represent a dynamic, yet stable pool of microbially-derived soil carbon This data is published under a CC0 license. The authors encourage data reuse and request attribution by referencing the below citations for the data packages and associated manuscript. Please cite as: Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. GLBRC Soil Yearlong Incubation 13C-SIP-Lipidomics. [Data Set] PNNL DataHub. doi: Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. MSV000097435: GLBRC soil yearlong incubation 13C-SIP-Lipidomics [Data Set] MassIVE. doi:10.25345/C57659T3K Rempfert KR, Bell SL, Kasanke CP, Kyle JE, Hofmockel KS. 2025. Lipids represent a dynamic, yet stable pool of microbially-derived soil carbon. In Prep This data package consists of compound-specific 13C SIP-lipidomics data from a yearlong tracer incubation experiment designed to investigate microbial lipid persistence in switchgrass bioenergy crop soils. In order to explore how lipid structure may modulate the persistence of C in soil lipids, we leveraged soils from two sites (Michigan - sandy texture, Wisconsin - silty texture) operated by the U.S. Department of Energy-funded Great Lakes Bioenergy Research Center (GLBRC). These sites had comparable climates, identical management practices, but contrasting soil textures, allowing us to assess the variability of lipid accrual or degradation in soils as well as provide insight regarding the degree to which edaphic properties may regulate the retention of soil lipids. Untargeted lipidomics analyses were performed to identify 13C-labeled lipids in the soil microbiome after long-term incubation. Soils were supplemented with 100 micrograms glucose per gram dry soil (99 atom % 13C or natural abundance for paired control) and incubated; samples were collected two months and one year after glucose addition. Lipid extracts (MPLEx) were analyzed by LC-MS/MS and identified using LIQUID. Calculation of isotopic enrichment of lipids was performed by targeted approach using TarMet to quantify lipid isotopologues and IsoCorrectoR to correct for natural abundance isotopes. Contents: Data package contents reported here are the first version and contain downstream analysis files for the raw LC-MS mass spectrometry files (.mzXML) deposited at the MassIVE database repository under accession MSV000097435 (80 experimental runs; 5.85 GB) | MassIVE DOI: 10.25345/C57659T3K. Support files include the additional data download 'Read Me' file containing data descriptor information. Reported data download contents are structured for compliance with project data sharing guidelines, community standards initiatives, and sponsor stakeholder policies supporting FAIR data principles. Data processing software, analysis tools, and data workflows are listed below corresponding to the host repository long-term location. Available Data Downloads (0.3 GB): "GLBRC soil yearlong incubation 13C-SIP-Lipidomics_readme.txt" - 'Read Me' data package content file (txt) "GLBRC_DataPackage_analysis files" - Data processing files (Rmd) and saved intermediate data processing outputs (rds, csv, xlsx) "GLBRC_13C_lipidomics_dataset.xlsx" - processed data in tabular format (xlsx) Linked Software: LIQUID LC-MS Analysis Software | 10.5281/zenodo.6459462 Lipid Mini-On Software Tools | 10.5281/zenodo.1492803 pmartR Omics Statistical Software | 10.5281/zenodo.6108667 xcms (v4.3.3) TarMet (v1.1.1) IsoCorrectoR (1.24.0) Funding Acknowledgments: This research was supported by an Early Career Research Program award funded by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research (OBER) Genomic Science program under FWP 68292, FWP 07880 and EMSL Exploratory Research Project 51095. A portion of this work was performed in the William R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by OBER and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated by Battelle for the DOE under Contract DE-AC05-76RLO1830.

Rempfert, Kaitlin R [Pacific Northwest National La↗
DOE OSTI2026

Deep X-Ray Observation of NGC 3221: Everything Everywhere All at Once

We present a comprehensive analysis of 475 ks (438 ks unpublished and 37 ks archival) XMM-Newton/EPIC-pn observations of a nearby, highly inclined, star-forming, luminous infrared galaxy NGC 3221 through spatial, temporal, and spectral information. We confirm the presence of a low-luminosity (presumably Compton-thick) active galactic nucleus (AGN). The 0.4–12 keV luminosity and the hardness ratio of the six ultraluminous X-ray sources previously identified in Chandra data exhibit diverse variability on day scales. The collective emission from unresolved sources exhibits a different day-scale variability. We have also discovered two new predominantly soft (<1 keV) sources. One of these has an enigmatic spectral shape featuring a soft component, which we interpret as a superbubble in NGC 3221, and a variable hard component from a compact object, unresolved from the superbubble. We do not confidently detect any X-ray emission from SN 1961L. The hot gas in the interstellar medium (ISM, out to ±6 kpc from the disk plane) and that in the extraplanar region (6–12 kpc) both require two thermal phases at ∼0.15 keV and ∼0.55 keV. The ∼0.55 keV component is fainter in the ISM than the ∼0.15 keV component, but the emission from the latter falls off more steeply with disk height than the emission from the former. This makes the extraplanar region hotter and less dense than the ISM. The proximity of NGC 3221 and the occurrence of the underluminous AGN offer a unique observing opportunity to study the hot diffuse medium along with nuclear and diskwide point sources.

Das, Sanskriti [Stanford Univ., CA (United States)↗
NASA NTRS1976

The development of the Poincare-similar elements with eccentric anomaly as the independent variable

A new set of element differential equations for the perturbed two-body motion is derived. The elements are canonical and are similar to the classical canonical Poincare elements, which have time as the independent variable. The phase space is extended by introducing the total energy and time as canonically conjugated variables. The new independent variable is, to within an additive constant, the eccentric anomaly. These elements are compared to the Kustaanheimo-Stiefel (KS) element differential equations, which also have the eccentric anomaly as the independent variable. For several numerical examples, the accuracy and stability of the new set are equal to those of the KS solution. This comparable accuracy result can probably be attributed to the fact that both sets have the same time element and very similar energy elements. The new set has only 8 elements, compared to 10 elements for the KS set. Both sets are free from singularities due to vanishing eccentricity and inclination.

Bond, V. R.↗
NASA NTRS1997

Eye in the Sky: A New Look at the Seyfert Connection

Observations obtained under this ASCA grant have been fully reduced. We have also extracted data from the ROSAT archive to complement the ASCA spectrum, and demonstrate that the source is time variable, a key clue to its nature. These results are nearly ready for submission. To reconcile the high soft X-ray luminosity of IRAS 00317-2142 with its properties at other wavelengths, we observed the galaxy with the ASCA satellite on 12/12/95 for 37 ks with these SIS and 41 ks with the GIS; a fit to the combined spectra. In combination with an archived 9.3 ks ROSAT PSPC observation, obtained 6/23/92 these data reveal significant spectral and flux variability. Although somewhat prosaic, these results are very significant in the context of the so called 'narrow-line X-ray galaxies' which are being discovered with increasing frequency in surveys of faint ROSAT sources. It may well be that these too are unremarkable and are included in current counts of Seyfert galaxies, meaning they are not the long-sought new component of the cosmic X-ray background.

Helfand, David J.↗
NASA NTRS2000

QPO and Spectral Studies of "New" States of Circinus X-1

This proposal was for studies of Circinus X-1 should it enter a "new" state not previously studied with RXTE, if it should depart from its current (at the time) mode of behavior which had been studied extensively in AO1 and AO2. There were 7 different "TOO" criteria that could have triggered observations. Only one of these was triggered during the AO3 observing period, namely that for enhanced radio emission. Historically the source had been known to flare in the radio to more than 1.6 Jy (extremely bright), but radio monitoring during the RXTE epoch found the source to be quite faint, rarely exceeding 100 mJy. High-statistics x-ray studies with the PCA on RXTE during a radio bright state could reveal changes in x-ray behavior. The radio trigger of Cir X-I observations should have yielded 60 ks of RXTE observation time out of the total 396 ks of the entire TOO proposal. When the opportunity arose to coordinate RXTE with radio observations from ATCA, because the radio was brightening noticeably, we requsted that the observations be concentrated during three radio runs, rather than the 20 samples distributed over the orbit as we originally proposed. One of the three RXTE observations was not carried out due to a spacecraft anomaly, so we received a total of only 42.7 ks.

Bradt, Hale↗
NASA NTRS2002

Something Special

There is plenty of interest and excitement in APPL's (Academy of Program and Project Leadership) KS (Knowledge Sharing) effort. We have received numerous requests for members of the KS Team to give presentations about what we're doing. A recent Knowledge Management Roundtable at NASA Headquarters drew record-setting attendance for the event. A few weeks later, I was invited to give a presentation for the Census Bureau. Ron Taylor, a senior leader of the organization, had requested the presentation. I was looking forward to a group of about 20 people or so. As it turned out, the auditorium was packed. Nearly 300 people were in attendance. They were excited about what we're doing and wanted to pick my brain as to how they could establish something like our KS effort in their organization.

Hoffman, Edward↗
NASA NTRS2003

Chandra Observations of the Faintest Low-Mass X-ray Binaries

There exists a group of persistently faint galactic X-ray sources that, based on their location in the galaxy, high L(sub X)/L(sub opt), association with X-ray bursts, and absence of low frequency X-ray pulsations, are thought to be low-mass X-ray binaries (LMXBs). We present results from Chandra observations for 8 of these systems: 4U 1708-408, 2S 1711-339, KS 1739-304, SLX 1735-269, GRS 1736-297, SLX 1746-331, 1E 1746.7-3224, and 4U 1812-12. Locations for all sources, excluding GRS 1736-297, SLX 1746-331, and KS 1739-304 (which were not detected) were improved to 0.6 sec error circles (90% confidence). Our observations support earlier findings of transient behavior of GRS 1736-297, KS 1739-304, SLX 1746-331, and 2S 1711-339 (which we detect in one of two observations). Energy spectra for 4U 1708-408,2S 1711-339, SLX 1735-269, 1E 1746.7-3224, and 4U 1812-12 are hard, with power law indices typically 1.4-2.1, which are consistent with typical faint LMXB spectra.

Wilson, Colleen A.↗
NASA NTRS2003

Chandra Observations of the Faintest Low-Mass X-Ray Binaries

A group of persistently faint Galactic X-ray sources exist that, based on their location in the Galaxy, high L(sub X)/L(sub opt), association with X-ray bursts, and absence of low-frequency X-ray pulsations, are thought to be low-mass X-ray binaries (LMXBs). We present results from Chandra observations for eight of these systems: 4U 1708-408, 2S 1711-339, KS 1739-304, SLX 1735-269, GRS 1736-297, SLX 1746-331, 1E 1746.7-3224, and 4U 1812-12. Locations for all these sources, excluding GRS 1736-297, SLX 1746-331, and KS 1739-304 (which were not detected), were improved to 0.6 sec error circles (90% confidence). Our observations support earlier findings of transient behavior of GRS 1736-297, KS 1739-304, SLX 1746-331, and 2S 1711-339 (which we detect in one of two observations). Energy spectra for 4U 1708-408, 2S 1711-339, SLX 1735-269, 1E 1746.7-3224, and 4U 1812-12 are hard, with power-law indices typically 1.4-2.1, which is consistent with typical faint LMXB spectra.

Wilson, Colleen A.↗
NASA NTRS2004

Simultaneous FUSE, HST, and Chandra Observations or Intrinsic Absorbers in NGC 7469 and MRK 279

We obtained FUSE observations of NGC 7469 on 2002 Dec 13 & 14. The two exposures totaled only 7 ks. The observations only have good data in one channel, LiF1, due to channel alignment problems. These observations were obtained simultaneously with high-quality HST/STIS and Chandra HETG spectra. The previously known O VI absorption lines in the FUSE spectrum are detected at good signal to noise ratio, and a wide array of other intrinsic absorption lines are visible in the X-ray spectrum and in the STIS spectrum. Compared to prior FUSE observations, the continuum flux for this observation was 50% lower. We see the effects of this in the lowest-velocity O VI absorber, which we associate with the X-ray absorbing gas also detected in this object. This O VI absorber has only a 50% covering fraction, consistent with its covering only the continuum in this source, and its strength and inferred column density increased as the continuum flux of NGC 7469 decreased. This is consistent with the recombination expected from photoionization models of the highly ionized gas. We obtained FUSE observations of Mrk 279 on 2002 May 18. As for NGC 7469, channel alignment problems led to good data being present only in LiFl. While we obtained a much longer integration on the target than planned (47.4 ks vs. 31 ks requested), the UV flux was down a factor of 10 or more from previous HST and FUSE observations, and our wavelength coverage was restricted due to the channel alignment problems. These data still cover the important O VI emission line and absorption lines in Mrk 279. The FUSE flux also agrees well with the simultaneous HST STIS data, which have good signal to noise. We have also analyzed FUSE observations made at three earlier epochs. We detect the Fe K-alpha emission line in the Chandra spectrum, and its flux is consistent with the low X-ray continuum flux level of Mrk 279 at the time of the observation. Because of low signal-to-noise ratios (S/N) in the Chandra spectrum, no O VII or O VIII absorption features are observable in the Chandra data, but the UV spectra reveal strong and complex absorption from H I and high-ionization species such as O VI, N V, and C IV, as well as from low-ionization species such as C III, N III, C II, and N II in some velocity components. The far-UV spectral coverage of the FUSE data provides information on high-order Lyman series absorption, which we use to calculate the optical depths and line and continuum covering fractions in the intrinsic H I absorbing gas in a self-consistent fashion. Based on the velocities, profile shapes, covering fractions and variability of the UV absorption, we conclude that some of the absorption components, particularly those showing prominent low-ionization lines, are likely associated with the host galaxy of Mrk 279, and possibly with its interaction with a close companion galaxy, while the remainder arises in a nuclear outflow.

Sonneborn, George↗
NASA NTRS2004

Spitzer 24 Micron Observations of Optical/Near-Infrared-Selected Extremely Red Galaxies: Evidence for Assembly of Massive Galaxies at Z approximately equal to 1-2?

We carried out direct measurement of the fraction of dusty sources in a sample of extremely red galaxies with (R - Ks) >= 5.3 mag and Ks < 20:2 mag, using 24 micron data from the Spitzer Space Telescope. Combining deep 24 micron Ks- and R-band data over an area of ~64 arcmin(sup 2) in ELAIS N1 of the Spitzer First Look Survey (FLS), we find that 50% +/- 6% of our extremely red object (ERO) sample have measurable 24 micron flux above the 3 (sigma) flux limit of 40 (micro)Jy. This flux limit corresponds to a star formation rate (SFR) of 12 solar masses per year ~1, much more sensitive than any previous long-wavelength measurement. The 24 micron-detected EROs have 24 micron/2.2 micron and 24 micron/0.7 micron flux ratios consistent with infrared luminous, dusty sources at z >= 1, and are an order of magnitude too red to be explained by an infrared quiescent spiral or a pure old stellar population at any redshift. Some of these 24 micron-detected EROs could be active galactic nuclei; however, the fraction among the whole ERO sample is probably small, 10%-20%, as suggested by deep X-ray observations as well as optical spectroscopy. Keck optical spectroscopy of a sample of similarly selected EROs in the FLS field suggests that most of the EROs in ELAIS N1 are probably at z ~1. The mean 24 micron flux (167 (micro)Jy) of the 24 micron-detected ERO sample roughly corresponds to the rest-frame 12 micron luminosity, (nu)L(nu)(12 micron, of 3x10(exp 10)(deg) solar luminosities at z ~1. Using the c IRAS (nu)L(nu)(12 (micron) and infrared luminosity LIR(8-1000 (micron), we infer that the (LIR) of the 24 micron- detected EROs is 3 x 10(exp 11) and 1 x 10(exp 12) solar luminosities at z = 1.0 and similar to that of local luminous infrared galaxies (LIRGs) and ultraluminous infrared galaxies (ULIRGs). The corresponding SFR would be roughly 50-170 solar masses per year. If the timescale of this starbursting phase is on the order of 108 yr as inferred for the local LIRGs and ULIRGs, the lower limit on the masses of these 24 micron-detected EROs is 5 x 10(exp 9) to 2 x 10(exp 10) solar masses. It is plausible that some of the starburst EROs are in the midst of a violent transformation to become massive early type galaxies at the epoch of z ~1-2.

high redshift↗
NASA NTRS2010

The Late Peaking Afterglow of GR8 100418A

GRB 100418A is a long Gamma-Ray Burst at redshift z=0.6235 discovered with the Swift Gamma-Ray Burst Explorer with unusual optical and X-ray light curves ' After an initial short-lived, rapid decline in X-rays, the optical and X-ray light curves observed with Swift are approximately flat or rising slightly out to at least approx.7 ks after the trigger, peak at approx.50 ks, and then follow an approximately power-law decay. Such a long optical plateau and late peaking is rarely seen in 6R8 afterglows. Observations with REM during a gap in the Swift coverage indicate a bright optical flare at approx.25 ks, The long plateau phase of the afterglow is interpreted using either a model with continuous injection of energy into the forward shock of the burst or a model in which the 'et of the burst is viewed off-axis. In both models the isotropic kinetic energy in the late afterglow after the plateau phase is >100 times the 10(exp 51) erg of the prompt isotropic gamma-ray energy release. The energy injection model is favored because the off-axis 'et model would require the intrinsic $T f801$ for the GR8 'et viewed on-axis to be very short, approx.10 ms, and the intrinsic isotropic gamma-ray energy release and the true jet energy to be much higher than the typical values of known short GRBs^ The non-detection of a 'et break up to approx.2 Ms indicates a jet half-opening angle of at least 14 degrees, and a relatively high collimation-corrected 'et energy of at least 10(exp 52) erg.

Marshall, Frank↗
NASA NTRS2013

A Suzaku X-ray Observation of One Orbit of the Supergiant Fast X-ray Transient IGR J16479-4514

We report on a 250 ks long X-ray observation of the supergiant fast X-ray transient (SFXT) IGR J16479-4514 performed with Suzaku in 2012 February. During this observation, about 80% of the short orbital period (P(sub orb) approximates 3.32 days) was covered as continuously as possible for the first time. The source light curve displays variability of more than two orders of magnitude, starting with a very low emission state (10(exp −13) erg / sq cm/s; 1-10 keV) lasting the first 46 ks, consistent with being due to the X-ray eclipse by the supergiant companion. The transition to the uneclipsed X-ray emission is energy dependent. Outside the eclipse, the source spends most of the time at a level of 6-7X10)(exp−12) erg/sq. cm/s) punctuated by two structured faint flares with a duration of about 10 and 15 ks, respectively, reaching a peak flux of 3-4X10(exp −11) erg/sq. cm./S, separated by about 0.2 in orbital phase. Remarkably, the first faint flare occurs at a similar orbital phase of the bright flares previously observed in the system. This indicates the presence of a phase-locked large scale structure in the supergiant wind, driving a higher accretion rate onto the compact object. The average X-ray spectrum is hard and highly absorbed, with a column density, NH, of 10*exp 23)/sq cm, clearly in excess of the interstellar absorption. There is no evidence for variability of the absorbing column density, except that during the eclipse, where a less absorbed X-ray spectrum is observed. A narrow Fe K-alpha emission line at 6.4 keV is viewed along the whole orbit, with an intensity which correlates with the continuum emission above 7 keV. The scattered component visible during the X-ray eclipse allowed us to directly probe the wind density at the orbital separation, resulting in rho(sub w)=7X10(exp −14) g/cubic cm. Assuming a spherical geometry for the supergiant wind, the derived wind density translates into a ratio M(sub w)/v(sub infinity) = 7X10(exp −17) Solar M/km which, assuming terminal velocities in a large range 500-3000 km/s, implies an accretion luminosity two orders of magnitude higher than that observed. As a consequence, a mechanism should be at work reducing the mass accretion rate. Different possibilities are discussed.

J164794514↗