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Computational time-resolved and resonant x-ray scattering of strongly correlated materials

Basic-Energy Sciences of the Department of Energy (BES/DOE) has made large investments in x-ray sources in the U.S. (NSLS-II, LCLS, NGLS, ALS, APS) as powerful enabling tools for opening up unprecedented new opportunities for exploring properties of matter at various length and time scales. The coming online of the pulsed photon source, literally allows us to see and follow the dynamics of processes in materials at their natural timescales. There is an urgent need therefore to develop theoretical methodologies and computational models for understanding how x-rays interact with matter and the related spectroscopies of materials. The present project addressed aspects of this grand challenge of x-ray science. In particular, our Collaborative Research Team (CRT) focused on developing viable computational schemes for modeling x-ray scattering and photoemission spectra of strongly correlated materials in the time-domain. The vast arsenal of formal/numerical techniques and approaches encompassed by the members of our CRT were brought to bear through appropriate generalizations and extensions to model the pumped state and the dynamics of this non-equilibrium state, and how it can be probed via x-ray absorption (XAS), emission (XES), resonant and non-resonant x-ray scattering, and photoemission processes. We explored the conceptual connections between the time-domain problems and other second-order spectroscopies, such as resonant inelastic x-ray scattering (RIXS) because RIXS may be effectively thought of as a pump-probe experiment in which the incoming photon acts as the pump, and the fluorescent decay is the probe. Alternatively, when the core-valence interactions are strong, one can view K-edge RIXS for example, as the dynamic response of the material to the transient presence of a strong core-hole potential. Unlike an actual pump-probe experiment, here there is no mechanism for adjusting the time-delay between the pump and the probe. However, the core hole predominantly decays via Auger processes, thereby providing an internal time-scale, which limits intermediate-state processes to timescales of a few femtoseconds. Accordingly, a number of activities directed at modeling K-, L- and M-edge RIXS in correlated materials were also pursused by our CRT. Our research effort supported by this CMCSN grant substantially advanced the understanding of x-ray scattering processes in the time-domain as well as in the more conventional scattering channels, including time-resolved photoemission, and how such processes can be modeled realistically in complex correlated materials more generally. The modeling of relaxation processes involved in time-domain spectroscopies is important also for understanding photoinduced effects such as energy conversion in photosynthesis and solar cell applications, and thus impacts the basic science for energy needs.

36 MATERIALS SCIENCE↗

Building a Unified Computational Model for the Resonant X-Ray Scattering of Strongly Correlated Materials

Basic-Energy Sciences of the Department of Energy (BES/DOE) has made large investments in x-ray sources in the U.S. (NSLS-II, LCLS, NGLS, ALS, APS) as powerful enabling tools for opening up unprecedented new opportunities for exploring properties of matter at various length and time scales. The coming online of the pulsed photon source literally allows us to see and follow the dynamics of processes in materials at their natural timescales. There is an urgent need therefore to develop theoretical methodologies and computational models for understanding how x-rays interact with matter and the related spectroscopies of materials. The present project addressed aspects of this grand challenge of X-ray science. In particular, our Collaborative Research Team (CRT) focused on understanding and modeling of elastic and inelastic resonant X-ray scattering processes. We worked to unify the three different computational approaches currently used for modeling X-ray scattering—density functional theory, dynamical mean-field theory, and small-cluster exact diagonalization—to achieve a more realistic material-specific picture of the interaction between X-rays and complex matter. To achieve a convergence in the interpretation and to maximize complementary aspects of different theoretical methods, we concentrated on the cuprates, where most experiments have been performed. Our team included both US and international researchers, and it fostered new collaborations between researchers currently working with different approaches. In addition, we developed close relationships with experimental groups working in the area at various synchrotron facilities in the US. Our CRT thus helped toward enabling the US to assume a leadership role in the theoretical development of the field, and to create a global network and community of scholars dedicated to X-ray scattering research.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Certification Coordination Roadmap

Innovative technology has to prove itself in the context of legacy regulations. The knowledgeable technologist must engage standards process and regulating authorities to understand their roles and to advise the effect of new technology, and with manufacturers to demonstrate technology benefit. A model for Innovative Technology Environment relating NASA to industry, standards and regulation is described. The needs of the standards community of the X-57 are identified, and a NASA standards structure is described. No NASA project works with standards and regulatory organizations like the X-57.

Schlickenmaier, Herbert↗

Breast Cancer Risk Estimation Using Parenchymal Texture Analysis in Digital Breast Tomosynthesis

Mammographic parenchymal texture has been shown to correlate with genetic markers of developing breast cancer. Digital breast tomosynthesis (DBT) is a novel x-ray imaging technique in which tomographic images of the breast are reconstructed from multiple source projections acquired at different angles of the x-ray tube. Compared to digital mammography (DM), DBT eliminates breast tissue overlap, offering superior parenchymal tissue visualization. We hypothesize that texture analysis in DBT could potentially provide a better assessment of parenchymal texture and ultimately result in more accurate assessment of breast cancer risk. As a first step towards validating this hypothesis, we investigated the association between DBT parenchymal texture and breast percent density (PD), a known breast cancer risk factor, and compared it to DM. Bilateral DBT and DM images from 71 women participating in a breast cancer screening trial were analyzed. Filtered-backprojection was used to reconstruct DBT tomographic planes in 1 mm increments with 0.22 mm in-plane resolution. Corresponding DM images were acquired at 0.1 mm pixel resolution. Retroareolar regions of interest (ROIs) equivalent to 2.5 cm{sup 3} were segmented from the DBT images and corresponding 2.5 cm{sup 2} ROIs were segmented from the DM images. Breast PD was mammographically estimated using the Cumulus scale. Overall, DBT texture features demonstrated a stronger correlation than DM to PD. The Pearson correlation coefficients for DBT were r = 0.40 (p<0.001) for contrast and r = -0.52 (p<0.001) for homogeneity; the corresponding DM correlations were r = 0.26 (p = 0.002) and r = -0.33 (p<0.001). Multiple linear regression of the texture features versus breast PD also demonstrated significantly stronger associations in DBT (R{sup 2} = 0.39) compared to DM (R{sup 2} = 0.33). We attribute these observations to the superior parenchymal tissue visualization in DBT. Our study is the first to perform DBT texture analysis in a screening population of women, showing that DBT could potentially provide better breast cancer risk assessment in the future.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

AN EXPERIMENT TO LOCATE THE SITE OF TeV FLARING IN M87

We describe a Chandra X-ray target-of-opportunity project designed to isolate the site of TeV flaring in the radio galaxy M87. To date, we have triggered the Chandra observations only once (2010 April) and by the time of the first of our nine observations, the TeV flare had ended. However, we found that the X-ray intensity of the unresolved nucleus was at an elevated level for our first observation. Of the more than 60 Chandra observations we have made of the M87 jet covering nine years, the nucleus was measured at a comparably high level only three times. Two of these occasions can be associated with TeV flaring, and at the time of the third event, there were no TeV monitoring activities. From the rapidity of the intensity drop of the nucleus, we infer that the size of the emitting region is of order a few light days Multiplication-Sign the unknown beaming factor; comparable to the same sort of estimate for the TeV emitting region. We also find evidence of spectral evolution in the X-ray band which seems consistent with radiative losses affecting the non-thermal population of the emitting electrons within the unresolved nucleus.

79 ASTRONOMY AND ASTROPHYSICS↗

An Experiment to Locate the Site of TeV Flaring in M87

We describe a Chandra X-ray target-of-opportunity project designed to isolate the site of TeV flaring in the radio galaxy M87. To date, we have triggered the Chandra observations only once (2010 April) and by the time of the first of our nine observations, the TeV flare had ended. However, we found that the X-ray intensity of the unresolved nucleus was at an elevated level for our first observation. Of the more than 60 Chandra observations we have made of the M87 jet covering nine years, the nucleus was measured at a comparably high level only three times. Two of these occasions can be associated with TeV flaring, and at the time of the third event, there were no TeV monitoring activities. From the rapidity of the intensity drop of the nucleus, we infer that the size of the emitting region is of order a few light days x the unknown beaming factor; comparable to the same sort of estimate for the TeV emitting region. We also find evidence of spectral evolution in the X-ray band which seems consistent with radiative losses affecting the non-thermal population of the emitting electrons within the unresolved nucleus.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A SEARCH FOR STAR-DISK INTERACTION AMONG THE STRONGEST X-RAY FLARING STARS IN THE ORION NEBULA CLUSTER

The Chandra Orion Ultradeep Project observed hundreds of young, low-mass stars undergoing highly energetic X-ray flare events. The 32 most powerful cases have been previously modeled with the result that the magnetic structures responsible for these flares can be many stellar radii in extent. In this paper, we model the observed spectral energy distributions (SEDs) of these 32 stars in order to determine, in detail for each star, whether there is circumstellar disk material situated in sufficient proximity to the stellar surface for interaction with the large magnetic loops inferred from the observed X-ray flares. Our SEDs span the wavelength range 0.3-8 {mu}m (plus 24 {mu}m for some stars), allowing us to constrain the presence of dusty circumstellar material out to {approx_gt}10 AU from the stellar surface in most cases. For 24 of the 32 stars in our sample the available data are sufficient to constrain the location of the inner edge of the dusty disks. Six of these (25%) have SEDs consistent with inner disks within reach of the observed magnetic loops. Another four stars may have gas disks interior to the dust disk and extending within reach of the magnetic loops, but we cannot confirm this with the available data. The remaining 14 stars (58%) appear to have no significant disk material within reach of the large flaring loops. Thus, up to {approx}40% of the sample stars exhibit energetic X-ray flares that possibly arise from a magnetic star-disk interaction, and the remainder are evidently associated with extremely large, free-standing magnetic loops anchored only to the stellar surface.

79 ASTRONOMY AND ASTROPHYSICS↗

Radio and X-ray observations of M87

The nearby radio galaxy M87 (Virgo A) is studied with the Einstein X-ray Observatory and the VLA to investigate possible inverse Compton X-ray emission from the 'radio halo'. An asymmetrical X-ray structure is superposed on the dominant symmetrical emission due to the hot interstellar gas, consisting of broad ridges extending about 0.5-5 arcmin E and SW of the nucleus. The radio halo also has prominent structures to the E and SW, probably due to bent jets seen in projection. But comparison of the X-ray and radio maps show the features are not entirely coincident. An inverse Compton origin of the X-ray emission implies the magnetic field of the halo varies between 3 and 8 times below equipartition levels of 2-5 microG. The principal alternative explanation for the asymmetrical X-ray component is that the outflowing jets compress the interstellar medium, causing a local enhancement of thermal X-ray emission.

Feigelson, E. D.↗

Review of NASA's Hypersonic Research Engine Project

The goals of the NASA Hypersonic Research Engine (HRE) Project, which began in 1964, were to design, develop, and construct a hypersonic research ramjet/scramjet engine for high performance and to flight-test the developed concept over the speed range from Mach 3 to 8. The project was planned to be accomplished in three phases: project definition, research engine development, and flight test using the X-15A-2 research aircraft, which was modified to carry hydrogen fuel for the research engine. The project goal of an engine flight test was eliminated when the X-15 program was canceled in 1968. Ground tests of engine models then became the focus of the project. Two axisymmetric full-scale engine models having 18-inch-diameter cowls were fabricated and tested: a structural model and a combustion/propulsion model. A brief historical review of the project with salient features, typical data results, and lessons learned is presented.

Andrews, Earl H.↗

An X-ray investigation of the unusual supernova remnant CTB 80

The X-ray properties of SNR CTB 80 (G68.8 + 2.8) are discussed based on both low- and high-resolution images from the Einstein satellite. The X-ray maps show a point source coinciding with the region of maximum radio emission. Diffuse X-ray emission is evident mainly along the radio lobe extending about 8 arcmin east of the point source and aligned with the projected magnetic field lines. The observed X-ray luminosity is 3.2 x 10 to the 34th ergs/s with 1.0 x 10 to the 3th ergs/s from the point source (assuming a distance of 3 kpc). There is also faint, diffuse, X-ray emission south of the point source, where radio emission is absent. The unusual radio and X-ray morphologies are interpreted as a result of relativistic jets energized by the central object, and the possible association of CTB 80 with SN 1408 as recorded by Chinese observers is discussed.

Wang, Z. R.↗

High-Z Non-­Equilibrium Physics and Bright X-­ray Sources with New Laser Targets (Annual Report FY 2013)

This project has two major goals, as follows, Final Goal: obtain spectrally resolved, absolutely calibrated x-ray emission data from uniquely uniform mm-scale near-critical-density high-Z plasmas not in local thermodynamic equilibrium (LTE) to benchmark modern detailed atomic physics models. Scientific significance: advance understanding of non-LTE atomic physics. Intermediate Goal: develop new nano-fabrication techniques to make suitable laser targets that form the required highly uniform non-LTE plasmas when illuminated by high-intensity laser light. Scientific significance: advance understanding of nano-science. Relation to DTRA C-WMD mission: The new knowledge will allow us to make x-ray sources that are bright at the photon energies of most interest for testing radiation hardening technologies, the spectral energy range where current x-ray sources are weak.

36 MATERIALS SCIENCE↗

Low-Cost X-Ray CT System for Imaging of Roots

The goal of this project was to develop and demonstrate an innovative, low cost, field deployable, stationary 3D x-ray computed tomography (CT) system that will image total root phenotypes with a micron size resolution at a throughput of hundreds of plants per cycle. This system is based on UHV’s unique low cost linear x-ray tube technology and sophisticated reconstruction & image segmentation algorithms developed at University of Massachusetts, Lowel and University of Nottingham; and was tested for several types of soils at University of Wisconsin and Texas A&M University. Currently, no technologies exist that have been designed to image roots in complex media such as agricultural field conditions. Due to its small size, high resolution & fast imaging of fine roots, low power consumption, large penetration depth (i.e. ability to see through several feet of soil) and ease of field deployability, this CT system will increase the speed and efficacy of discovery, field translation, and deployment of improved crops and systems that improve soil carbon accumulation and storage, decrease N2O emissions, and improve water efficiency leading towards advancements that could mitigate 10% of the total US Greenhouse gases. This degree of imaging in the field has never been available and would be invaluable to scientists in understanding how environmental conditions and phenotypic variations contribute to carbon deposition through root development.

54 ENVIRONMENTAL SCIENCES↗

Low Impact Docking System (LIDS)

Since 1996, NASA has been developing a docking system that will simplify operations and reduce risks associated with mating spacecraft. This effort has focused on developing and testing an original, reconfigurable, active, closed-loop, force-feedback controlled docking system using modern technologies. The primary objective of this effort has been to design a docking interface that is tunable to the unique performance requirements for all types of mating operations (i.e. docking and berthing, autonomous and piloted rendezvous, and in-space assembly of vehicles, modules and structures). The docking system must also support the transfer of crew, cargo, power, fluid, and data. As a result of the past 10 years of docking system advancement, the Low Impact Docking System or LIDS was developed. The current LIDS design incorporates the lessons learned and development experiences from both previous and existing docking systems. LIDS feasibility was established through multiple iterations of prototype hardware development and testing. Benefits of LIDS include safe, low impact mating operations, more effective and flexible mission implementation with an anytime/anywhere mating capability, system level redundancy, and a more affordable and sustainable mission architecture with reduced mission and life cycle costs. In 1996 the LIDS project, then known as the Advanced Docking Berthing System (ADBS) project, launched a four year developmental period. At the end of the four years, the team had built a prototype of the soft-capture hardware and verified the control system that will be used to control the soft-capture system. In 2001, the LIDS team was tasked to work with the X- 38 Crew Return Vehicle (CRV) project and build its first Engineering Development Unit (EDU).

LaBauve, Tobie E.↗

Properties of the Flight Model Gas Electron Multiplier for the GEMS Mission

We present the gain properties of the gas electron multiplier (GEM) foil in pure dimethyl ether (DME) at 190 Torr. The GEM is one of the micro pattern gas detectors and it is adopted as a key part of the X-ray polarimeter for the GEMS mission. The X-ray polarimeter is a time projection chamber operating in pure DME gas at 190 Torr. We describe experimental results of (1) the maximum gain the GEM can achieve without any discharges, (2) the linearity of the energy scale for the GEM operation, and (3) the two-dimensional gain variation of the active area. First, our experiment with 6.4 keV X-ray irradiation of the whole GEM area demonstrates that the maximum effective gain is 2 x 10(exp 4) with the applied voltage of 580 V. Second, the measured energy scale is linear among three energies of 4.5, 6.4, and 8.0 keV. Third, the two-dimensional gain mapping test derives the standard deviation of the gain variability of 7% across the active area.

gas electron multiplier (GEM)↗

A Candle in the Wind: A Radio Filament in the Core of the A3562 Galaxy Cluster

Using a MeerKAT observation of the galaxy cluster A3562 (a member of the Shapley Supercluster), we have discovered a narrow, long and straight, very faint radio filament, which branches out at a straight angle from the tail of a radio galaxy located in projection near the core of the cluster. The radio filament spans 200 kpc and aligns with a sloshing cold front seen in the X-rays, staying inside the front in projection. The radio spectral index along the filament appears uniform (within large uncertainties) atα' −1.5. We propose that the radio galaxy is located outside the cold front, but dips its tail under the front. The tangential wind that blows there may stretch the radio plasma from the radio galaxy into a filamentary structure. Some reacceleration is needed in this scenario to maintain the radio spectrum uniform. Alternatively, the cosmic ray electrons from that spot in the tail can spread along the cluster magnetic field lines, straightened by that same tangential flow, via anomalously fast diffusion. Our radio filament can provide constraints on this process. We also uncover a compact radio source at the Brightest Cluster Galaxy (BCG) that is 2–3 orders of magnitude

S Giacintucci↗

NASA's Hypersonic Research Engine Project: A review

The goals of the NASA Hypersonic Research Engine (HRE) Project, which began in 1964, were to design, develop, and construct a high-performance hypersonic research ramjet/scramjet engine for flight tests of the developed concept over the speed range of Mach 4 to 8. The project was planned to be accomplished in three phases: project definition, research engine development, and flight test using the X-15A-2 research airplane, which was modified to carry hydrogen fuel for the research engine. The project goal of an engine flight test was eliminated when the X-15 program was canceled in 1968. Ground tests of full-scale engine models then became the focus of the project. Two axisymmetric full-scale engine models, having 18-inch-diameter cowls, were fabricated and tested: a structural model and combustion/propulsion model. A brief historical review of the project, with salient features, typical data results, and lessons learned, is presented. An extensive number of documents were generated during the HRE Project and are listed.

Andrews, Earl H.↗

A CHANDRA SNAPSHOT SURVEY FOR 3C RADIO GALAXIES WITH REDSHIFTS BETWEEN 0.3 AND 0.5

This paper contains an analysis of short Chandra observations of 19 3C sources with redshifts between 0.3 and 0.5 not previously observed in the X-rays. This sample is part of a project to obtain Chandra data for all of the extragalactic sources in the 3C catalog. Nuclear X-ray intensities as well as any X-ray emission associated with radio jet knots, hotspots, or lobes have been measured in three energy bands: soft, medium, and hard. Standard X-ray spectral analysis for the four brightest nuclei has also been performed. X-ray emission was detected for all the nuclei of the radio sources in the current sample with the exception of 3C 435A. There is one compact steep spectrum source while all the others are FR II radio galaxies. X-ray emission from two galaxy clusters (3C 19 and 3C 320), from six hotspots in four radio galaxies (3C 16, 3C 19, 3C 268.2, 3C 313), and extended X-ray emission on kiloparsec scales in 3C 187 and 3C 313, has been detected.

79 ASTRONOMY AND ASTROPHYSICS↗

Discovery of a bright extended X-ray jet in RGB J1512+020A

ABSTRACT We report the discovery of a bright, extended X-ray jet in the quasar RGB J1512+020A (z = 0.22). Chandra observations show the X-ray core and 13 arcsec (∼45 kpc projected) extended emission coincident with the radio jet. The jet stands out as one of brightest X-ray jets (LX ∼ 7 × 1043 erg s−1) at low redshift (z < 0.5) discovered so far, with remarkably large X-ray to radio luminosity ratios (LX/Lr up to ∼50). We identified four main components, two unresolved knots and two extended structures, one being the jet brightest feature (JBF). All jet features are also detected in ALMA archival observations. The radio, sub-mm to X-ray spectra of the two knots can be modelled with a single synchrotron component. For the two resolved structures, the ALMA data unveil a turnover of the low-energy continuum at ∼460 GHz. External Comptonization of cosmic microwave background photons can account for the observed X-ray emission if the jet speed remains highly relativistic, with bulk motion Γbulk > 15, up to tens of kiloparsec from the core. However, the comparison with the spectral energy distribution of similar X-ray detected jets shows that the alternative hypothesis of synchrotron emission from an additional population of ultra-high-energy electrons is also possible. We report a tentative (≳2σ) optical detection of the JBF in images of the Dark Energy Camera Legacy Survey. If confirmed, the optical emission should be either the low-energy tail of the radiative component responsible for the X-ray emission or a third, separate component.

79 ASTRONOMY AND ASTROPHYSICS↗