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DOE OSTI2016

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↗

DOE OSTI2016

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

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS2019

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↗

NASA NTRS1986

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.↗

NASA NTRS1993

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.↗

NASA NTRS1984

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.↗

DOE OSTI2013

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↗

DOE OSTI2023

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↗

NASA NTRS2009

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.↗

NASA NTRS2014

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)↗

NASA NTRS2022

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 NTRS1994

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.↗

DOE OSTI2013

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↗

DOE OSTI2022

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↗

DOE OSTI2024

Simplified projection on total spin zero for state preparation on quantum computers

Here, we introduce a simple algorithm for projecting on J = 0 states of a many-body system by performing a series of rotations to remove states with angular momentum projections greater than zero. Existing methods rely on unitary evolution with the two-body operator J 2 , which when expressed in the computational basis contains many complicated Pauli strings requiring Trotterization and leading to very deep quantum circuits. Our approach performs the necessary projections using the one-body operators J x and J z . By leveraging the method of Cartan decomposition, the unitary transformations that perform the projection can be parametrized as a product of a small number of two-qubit rotations, with angles determined by an efficient classical optimization. Given the reduced complexity in terms of gates, this approach can be used to prepare approximate ground states of even-even nuclei by projecting onto the J = 0 component of deformed Hartree-Fock states. We estimate the resource requirements in terms of the universal gate set {H,S, CNOT ,T} and briefly discuss a variant of the algorithm that projects onto J = 1/2 states of a system with an odd number of fermions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

The Ristra Project: FY20/21 Milestone Report

The ASC Advanced Technology Development and Mitigation (ATDM) sub-program was established in 2014 to develop new simulation tools operating on exascale-class computers to serve NNSA (see Appendix B). Over the course of ATDM, LANL management have set a strategy for exascale-class application codes that follows two supportive and mutually risk-mitigating paths: evolution for established production integrated design codes (IDCs) – with a strong pedigree within the user community – based upon existing programming paradigms(MPI+X); and a new start ATDM project, Ristra, a high-risk/high-reward push for a next-generation multi-physics, multi-scale simulation toolkit based on emerging advanced programming systems(with an initial focus on data-flow task-based models exemplified by Legion). The role of Ristra as the high-risk/high-reward path for LANL’s codes was fully consistent with the goals of ATDM as described in Appendix B, in particular its emphasis on evolving ASC capabilities through novel computing programming models and computing technologies.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1991

X ray absorption by dark nebulae (HEAO-2 guest investigator program)

A study is described of data obtained from the Imaging Proportional Counter (IPC) x ray detector aboard the HEAO-2 satellite (Einstein Observatory). The research project involved a search for absorption of diffuse low energy x ray background emission by galactic dark nebulae. The commonly accepted picture that the bulk of the C band emission originates locally, closer that a few hundred parsec, and the bulk of the M band emission originates farther away than a few hundred parsec, was tested. The idea was to look for evidence of absorption of the diffuse background radiation by nearby interstellar clouds.

Sanders, W. T.↗

DOE OSTI2014

Upright cone beam CT imaging using the onboard imager

Purpose: Many patients could benefit from being treated in an upright position. The objectives of this study were to determine whether cone beam computed tomography (CBCT) could be used to acquire upright images for treatment planning and to demonstrate whether reconstruction of upright images maintained accurate geometry and Hounsfield units (HUs). Methods: A TrueBeam linac was programmed in developer mode to take upright CBCT images. The gantry head was positioned at 0°, and the couch was rotated to 270°. The x-ray source and detector arms were extended to their lateral positions. The x-ray source and gantry remained stationary as fluoroscopic projections were taken and the couch was rotated from 270° to 90°. The x-ray tube current was normalized to deposit the same dose (measured using a calibrated Farmer ion chamber) as that received during a clinical helical CT scan to the center of a cylindrical, polyethylene phantom. To extend the field of view, two couch rotation scans were taken with the detector offset 15 cm superiorly and then 15 cm inferiorly. The images from these two scans were stitched together before reconstruction. Upright reconstructions were compared to reconstructions from simulation CT scans of the same phantoms. Two methods were investigated for correcting the HUs, including direct calibration and mapping the values from a simulation CT. Results: Overall geometry, spatial linearity, and high contrast resolution were maintained in upright reconstructions. Some artifacts were created and HU accuracy was compromised; however, these limitations could be removed by mapping the HUs from a simulation CT to the upright reconstruction for treatment planning. Conclusions: The feasibility of using the TrueBeam linac to take upright CBCT images was demonstrated. This technique is straightforward to implement and could be of enormous benefit to patients with thoracic tumors or those who find a supine position difficult to endure.

62 RADIOLOGY AND NUCLEAR MEDICINE↗