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PPPL Laboratory Directed Research and Development (Project Final Reports, FY2018 - FY2020)

The U.S. Department of Energy’s (DOE) Princeton Plasma Physics Laboratory (PPPL) is a collaborative national center for fusion energy science, basic sciences, and advanced technology. The Laboratory has three major missions: (1) to develop the scientific knowledge and advanced engineering to enable fusion to power the U.S. and the world; (2) to advance the science of nanoscale fabrication for technologies of tomorrow; and (3) to further the development of the scientific understanding of the plasma universe from laboratory to astrophysical scales. PPPL’s Laboratory Directed Research and Development (LDRD) program supports and encourages creativity and innovation and contributes to its long-term viability. New scientific and technical research areas emerge and are nurtured through the program. Furthermore, new capabilities are developed to enable the Laboratory to meet its and DOE’s missions. The program is used to systematically diversify the Laboratory’s programs and mission. In the last few years, the program has started projects in nanomaterial synthesis, microelectronics, advanced x-ray spectroscopy, high-energy-density physics, superconducting magnet technology, machine learning and artificial intelligence, 3D magnetic fields to optimize fusion plasmas, integration of permanent magnets with simple high-field magnets to reduce the cost of producing complex 3D magnetic fields, advanced computational methods for predictive understanding and control of fusion plasma, development of quantum computing algorithms for plasma physics, liquid metal plasma-facing components for fusion reactors, virtual engineering, and plasma-based space propulsion. The program is also the vehicle to recruit and train talented scientists and engineers with the new skills needed to perform the Laboratory’s mission. Many of the new hires through the program go on to become world-class scientists and engineers in their fields. This report provides descriptions and accomplishments of those LDRD projects that were completed during fiscal years 2018 through 2020.

36 MATERIALS SCIENCE↗

A COMBINED LOW-RADIO FREQUENCY/X-RAY STUDY OF GALAXY GROUPS. I. GIANT METREWAVE RADIO TELESCOPE OBSERVATIONS AT 235 MHz AND 610 MHz

We present new Giant Metrewave Radio Telescope observations at 235 MHz and 610 MHz of 18 X-ray bright galaxy groups. These observations are part of an extended project, presented here and in future papers, which combines low-frequency radio and X-ray data to investigate the interaction between central active galactic nuclei (AGNs) and the intra-group medium (IGM). The radio images show a very diverse population of group-central radio sources, varying widely in size, power, morphology, and spectral index. Comparison of the radio images with Chandra and XMM-Newton X-ray images shows that groups with significant substructure in the X-ray band and marginal radio emission at {approx}>1 GHz host low-frequency radio structures that correlate with substructures in IGM. Radio-filled X-ray cavities, the most evident form of AGN/IGM interaction in our sample, are found in half of the systems and are typically associated with small, low-, or mid-power double radio sources. Two systems, NGC5044 and NGC4636, possess multiple cavities, which are isotropically distributed around the group center, possibly due to group weather. In other systems the radio/X-ray correlations are less evident. However, the AGN/IGM interaction can manifest itself through the effects of the high-pressure medium on the morphology, spectral properties, and evolution of the radio-emitting plasma. In particular, the IGM can confine fading radio lobes in old/dying radio galaxies and prevent them from dissipating quickly. Evidence for radio emission produced by former outbursts that co-exist with current activity is found in six groups of the sample.

79 ASTRONOMY AND ASTROPHYSICS↗

Quantitative phase retrieval with picosecond X-ray pulses from the ATF Inverse Compton Scattering source

Quantitative phase retrieval is experimentally demonstrated using the Inverse Compton Scattering X-ray source available at the Accelerator Test Facility (ATF) in the Brookhaven National Laboratory. Phase-contrast images are collected using in-line geometry, with a single X-ray pulse of approximate duration of one picosecond. The projected thickness of homogeneous samples of various polymers is recovered quantitatively from the time-averaged intensity of transmitted X-rays. The data are in good agreement with the expectations showing that ATF Inverse Compton Scattering source is suitable for performing phase-sensitive quantitative X-ray imaging on the picosecond scale. The method shows promise for quantitative imaging of fast dynamic phenomena.

43 PARTICLE ACCELERATORS↗

The evolution of a rapidly-expanding active region loop into a trans-equatorial coronal mass ejection

On 23 February 1997, a coronal mass ejection erupted off the NE limb of the sun from a coronal loop system which had earlier been visible soft X-rays and Fe XIV. The ejection coincided with the onset of a small soft X-ray event, and it left the corona at a position angle of around 60 deg at around 880 km s(exp -1). This ejection then merged with a much larger event which spanned the equator and became indistinguishable, in projection, with the primary event. The soft X-ray images indicate that the highest temperature plasma was associated with the loop system near the original erupting loop. A large loop system became visible south of the equator as the coronal mass ejection developed. It appears that there are high closed coronal magnetic loops linking the northern region to that in the south.

Simnett, G. M.↗

Analysis of Combustion Systems

As part of the NASA High-Speed Research Program, low emission combustors are being studied and demonstrated. One combustor concept that is currently being studied and evaluated is the Rich burn-Quick mix-Lean burn (RQL) combustor. The quick-mix zone of the RQL combustor is extremely important in reducing NO(x) emissions; rapid mixing of the bypass airflow with rich-born effluent is essential. The basic challenge can be described as rapid jet-in-crossflow mixing. Although jet-in-crossflow mixing is not new, this RQL application is unique in that the jet-to-mainstream mass-flow ratios are higher than studied previously (approx. 3 in RQL applications versus approx. 0.5 in dilution zone studies), plus the emphasis is on reducing NO(x) emissions (i.e. good mixing might not necessarily produce low emissions). This five-years project focused on identifying quick-mix method that would reduce NO(x) emissions in RQL combustor. The work included study of mixing concepts, and the development of design methodology. Three dimension CFD analysis was the primary tool used in assessing concept and developing design methodology for low emission. Isothermal and reacting CFD calculations were performed on cylindrical, rectangular, and annular generic geometries. Systematic parameters studies were performed to isolate key design parameters and their influence on mixing and emissions.

Daniel B. Bain↗

Advanced Compact X-ray Spectrometer with High Resolution and Efficiency

Under this Phase I SBIR Project, the Square One engineering team (in collaboration with a team of scientists from Brookhaven National Laboratory) designed, built, and tested a prototype Modular X-Ray Detection System. This Detection System was comprised of two primary subsystems, the Aiming Mechanism and the Optics Train. The Optics Train can be further subdivided into the following three components: the Collection Optic, the Discrimination Optic, and the Detection Unit. It is these three components that determine the modularity of the System. For example, the Collection Optic could accommodate either a polycapillary half lens or a Soller Slit. Similarly, the Detection Unit could accommodate either a Silicon Drift Diode (SDD) or some other diode. The Discrimination Optic can be included in the Optics Train, but is not necessary to the operation of the System.

99 GENERAL AND MISCELLANEOUS↗

Hard x-ray transmission crystal spectrometer at the OMEGA-EP laser facility

The transmission crystal spectrometer (TCS) is approved for taking data at the OMEGA-EP laser facility since 2009 and will be available for the OMEGA target chamber in 2010. TCS utilizes a Cauchois type cylindrically bent transmission crystal geometry with a source to crystal distance of 600 mm. Spectral images are recorded by image plates in four positions, one IP on the Rowland circle and three others at 200, 400, and 600 mm beyond the Rowland circle. An earlier version of TCS was used at LULI on experiments that determined the x-ray source size from spectral line broadening on one IP positioned behind the Rowland circle. TCS has recorded numerous backlighter spectra at EP for point projection radiography and for source size measurements. Hard x-ray source size can be determined from the source broadening of both K shell emission lines and from K absorption edges in the bremsstrahlung continuum, the latter being a new way to measure the spatial extent of the hard x-ray bremsstrahlung continuum.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

SUZAKU X-RAY FOLLOW-UP OBSERVATIONS OF SEVEN UNASSOCIATED FERMI-LAT GAMMA-RAY SOURCES AT HIGH GALACTIC LATITUDES

We report on our second-year campaign of X-ray follow-up observations of unidentified Fermi Large Area Telescope (LAT) {gamma}-ray sources at high Galactic latitudes (|b| > 10 Degree-Sign ) using the X-ray Imaging Spectrometer on board the Suzaku X-ray Observatory. In this second year of the project, seven new targets were selected from the First Fermi-LAT Catalog, and studied with 20-40 ks effective Suzaku exposures. We detected an X-ray point source coincident with the position of the recently discovered millisecond pulsar (MSP) PSR J2302+4442 within the 95% confidence error circle of 1FGL J2302.8+4443. The X-ray spectrum of the detected counterpart was well fit by a blackbody model with temperature of kT {approx_equal} 0.3 keV, consistent with an origin of the observed X-ray photons from the surface of a rotating magnetized neutron star. For four other targets that were also recently identified with a normal pulsar (1FGL J0106.7+4853) and MSPs (1FGL J1312.6+0048, J1902.0-5110, and J2043.2+1709), only upper limits in the 0.5-10 keV band were obtained at the flux levels of {approx_equal} 10{sup -14} erg cm{sup -2} s{sup -1}. A weak X-ray source was found in the field of 1FGL J1739.4+8717, but its association with the variable {gamma}-ray emitter could not be confirmed with the available Suzaku data alone. For the remaining Fermi-LAT object 1FGL J1743.8-7620 no X-ray source was detected within the LAT 95% error ellipse. We briefly discuss the general properties of the observed high Galactic-latitude Fermi-LAT objects by comparing their multiwavelength properties with those of known blazars and MSPs.

79 ASTRONOMY AND ASTROPHYSICS↗

A statistically defined anthropomorphic software breast phantom

Purpose: Digital anthropomorphic breast phantoms have emerged in the past decade because of recent advances in 3D breast x-ray imaging techniques. Computer phantoms in the literature have incorporated power-law noise to represent glandular tissue and branching structures to represent linear components such as ducts. When power-law noise is added to those phantoms in one piece, the simulated fibroglandular tissue is distributed randomly throughout the breast, resulting in dense tissue placement that may not be observed in a real breast. The authors describe a method for enhancing an existing digital anthropomorphic breast phantom by adding binarized power-law noise to a limited area of the breast. Methods: Phantoms with (0.5 mm){sup 3} voxel size were generated using software developed by Bakic et al. Between 0% and 40% of adipose compartments in each phantom were replaced with binarized power-law noise ({beta} = 3.0) ranging from 0.1 to 0.6 volumetric glandular fraction. The phantoms were compressed to 7.5 cm thickness, then blurred using a 3 Multiplication-Sign 3 boxcar kernel and up-sampled to (0.1 mm){sup 3} voxel size using trilinear interpolation. Following interpolation, the phantoms were adjusted for volumetric glandular fraction using global thresholding. Monoenergetic phantom projections were created, including quantum noise and simulated detector blur. Texture was quantified in the simulated projections using power-spectrum analysis to estimate the power-law exponent {beta} from 25.6 Multiplication-Sign 25.6 mm{sup 2} regions of interest. Results: Phantoms were generated with total volumetric glandular fraction ranging from 3% to 24%. Values for {beta} (averaged per projection view) were found to be between 2.67 and 3.73. Thus, the range of textures of the simulated breasts covers the textures observed in clinical images. Conclusions: Using these new techniques, digital anthropomorphic breast phantoms can be generated with a variety of glandular fractions and patterns. {beta} values for this new phantom are comparable with published values for breast tissue in x-ray projection modalities. The combination of conspicuous linear structures and binarized power-law noise added to a limited area of the phantom qualitatively improves its realism.

60 APPLIED LIFE SCIENCES↗

The two-dimensional spatial distributions of the globular clusters and low-mass X-ray binaries of NGC 4649

We report significant anisotropies in the projected two-dimensional (2D) spatial distributions of globular clusters (GCs) of the giant Virgo elliptical galaxy NGC 4649 (M60). Similar features are found in the 2D distribution of low-mass X-ray binaries (LMXBs), both associated with GCs and in the stellar field. Deviations from azimuthal symmetry suggest an arc-like excess of GCs extending north at 4-15 kpc galactocentric radii in the eastern side of major axis of NGC 4649. This feature is more prominent for red GCs, but still persists in the 2D distribution of blue GCs. High- and low-luminosity GCs also show some segregation along this arc, with high-luminosity GCs preferentially located in the southern end and low-luminosity GCs in the northern section of the arc. GC-LMXBs follow the anisotropy of red GCs, where most of them reside; however, a significant overdensity of (high-luminosity) field LMXBs is present to the south of the GC arc. These results suggest that NGC 4649 has experienced mergers and/or multiple accretions of less massive satellite galaxies during its evolution, of which the GCs in the arc may be the fossil remnant. We speculate that the observed anisotropy in the field LMXB spatial distribution indicates that these X-ray binaries may be the remnants of a star formation event connected with the merger, or maybe be ejected from the parent red GCs, if the bulk motion of these clusters is significantly affected by dynamical friction. We also detect a luminosity enhancement in the X-ray source population of the companion spiral galaxy NGC 4647. We suggest that these may be younger high mass X-ray binaries formed as a result of the tidal interaction of this galaxy with NGC 4649.

79 ASTRONOMY AND ASTROPHYSICS↗

MO-DE-207A-06: ECG-Gated CT Reconstruction for a C-Arm Inverse Geometry X-Ray System

Purpose: To obtain ECG-gated CT images from truncated projection data acquired with a C-arm based inverse geometry fluoroscopy system, for the purpose of cardiac chamber mapping in interventional procedures. Methods: Scanning-beam digital x-ray (SBDX) is an inverse geometry fluoroscopy system with a scanned multisource x-ray tube and a photon-counting detector mounted to a C-arm. In the proposed method, SBDX short-scan rotational acquisition is performed followed by inverse geometry CT (IGCT) reconstruction and segmentation of contrast-enhanced objects. The prior image constrained compressed sensing (PICCS) framework was adapted for IGCT reconstruction to mitigate artifacts arising from data truncation and angular undersampling due to cardiac gating. The performance of the reconstruction algorithm was evaluated in numerical simulations of truncated and non-truncated thorax phantoms containing a dynamic ellipsoid to represent a moving cardiac chamber. The eccentricity of the ellipsoid was varied at frequencies from 1–1.5 Hz. Projection data were retrospectively sorted into 13 cardiac phases. Each phase was reconstructed using IGCT-PICCS, with a nongated gridded FBP (gFBP) prior image. Surface accuracy was determined using Dice similarity coefficient and a histogram of the point distances between the segmented surface and ground truth surface. Results: The gated IGCT-PICCS algorithm improved surface accuracy and reduced streaking and truncation artifacts when compared to nongated gFBP. For the non-truncated thorax with 1.25 Hz motion, 99% of segmented surface points were within 0.3 mm of the 15 mm diameter ground truth ellipse, versus 1.0 mm for gFBP. For the truncated thorax phantom with a 40 mm diameter ellipse, IGCT-PICCS surface accuracy measured 0.3 mm versus 7.8 mm for gFBP. Dice similarity coefficient was 0.99–1.00 (IGCT-PICCS) versus 0.63–0.75 (gFBP) for intensity-based segmentation thresholds ranging from 25–75% maximum contrast. Conclusions: The PICCS algorithm was successfully applied to reconstruct truncated IGCT projection data with angular undersampling resulting from simulated cardiac gating. Research supported by the National Heart, Lung, and Blood Institute of the NIH under award number R01HL084022. The content is solely the responsibility of the authors and does not necessarily represent the official views of the NIH.

60 APPLIED LIFE SCIENCES↗

CLASH: The concentration-mass relation of galaxy clusters

We present a new determination of the concentration–mass (c–M) relation for galaxy clusters based on our comprehensive lensing analysis of 19 X-ray selected galaxy clusters from the Cluster Lensing and Supernova Survey with Hubble (CLASH). Our sample spans a redshift range between 0.19 and 0.89. We combine weak-lensing constraints from the Hubble Space Telescope (HST) and from ground-based wide-field data with strong lensing constraints from HST. The results are reconstructions of the surface-mass density for all CLASH clusters on multi-scale grids. Our derivation of Navarro–Frenk–White parameters yields virial masses between 0.53×10{sup 15} M{sub ⊙}/h and 1.76×10{sup 15} M{sub ⊙}/h and the halo concentrations are distributed around c{sub 200c}∼3.7 with a 1σ significant negative slope with cluster mass. We find an excellent 4% agreement in the median ratio of our measured concentrations for each cluster and the respective expectation from numerical simulations after accounting for the CLASH selection function based on X-ray morphology. The simulations are analyzed in two dimensions to account for possible biases in the lensing reconstructions due to projection effects. The theoretical c–M relation from our X-ray selected set of simulated clusters and the c–M relation derived directly from the CLASH data agree at the 90% confidence level.

79 ASTRONOMY AND ASTROPHYSICS↗

Atomic resolution coherent x-ray imaging with physics-based phase retrieval

Coherent x-ray imaging and scattering from accelerator based sources such as synchrotrons continue to impact biology, medicine, technology, and materials science. Many synchrotrons around the world are currently undergoing major upgrades to increase their available coherent x-ray flux by approximately two orders of magnitude. The improvement of synchrotrons may enable imaging of materials in operando at the atomic scale which may revolutionize battery and catalysis technologies. Current algorithms used for phase retrieval in coherent x-ray imaging are based on the projection onto sets method. These traditional iterative phase retrieval methods will become more computationally expensive as they push towards atomic resolution and may struggle to converge. Additionally, these methods do not incorporate physical information that may additionally constrain the solution. In this work, we present an algorithm which incorporates molecular dynamics into Bragg coherent diffraction imaging (BCDI). This algorithm, which we call PRAMMol (Phase Retrieval with Atomic Modeling and Molecular Dynamics) combines statistical techniques with molecular dynamics to solve the phase retrieval problem. We present several examples where our algorithm is applied to simulated coherent diffraction from 3D crystals and show convergence to the correct solution at the atomic scale.

47 OTHER INSTRUMENTATION↗

Full spectrum optical constant interface to the Materials Project

Optical constants characterize the interaction of materials with light and are important properties in material design. Here we present a Python-based Corvus workflow for simulations of full spectrum optical constants from the visible and ultraviolet to hard x-ray wavelengths based on the real-space Green’s function code FEFF10 and structural data from the Materials Project (MP). The Corvus workflow manager and its associated tools provide an interface to FEFF10 and the MP database. The workflow parallelizes the FEFF computations of optical constants over all absorption edges for each material in the MP database specified by a unique MP-ID. The workflow tools determine the distribution of computational resources needed for that case. Similarly, the optical constants for selected sets of materials can be computed in a single-shot. Additionally, to illustrate the approach, we present results for several elemental solids in the periodic table, as well as a sample compound, and compare our predictions with experimental results. In addition, we provide a database of calculated results for all elements for which there is a stable elemental solid at standard conditions available in the Materials Project database. As in x-ray absorption spectra, these results are interpreted in terms of an atomic-like background and fine-structure contributions.

36 MATERIALS SCIENCE↗

Upper Class E Traffic Management (ETM) and ATM-X

This is a slide set for presentation at the 4th Federal UAS Workshop jointly hosted by NASA and USGS. The contents of the slide cover the work currently being performed with respect to the Upper Class E Traffic Management (ETM) concept, which addresses the needs and gaps in the management of high altitude airspace operations. This concept leverages elements developed through the UAS Traffic Management project with respect to a cooperative, service-based approach that provides services and capabilities in areas (e.g., Upper E airspace) that currently receive no or limited service from Air Traffic Control. This concept is meant to provide a safe, fair, and scalable approach to management of Upper E operations that reduces the burden on ATC while providing the flexibility and access desired by current and new users of the airspace. This set of slides includes an overview and rationale of the ETM concept, a recap of the progress made, the road ahead, and the place of ETM within its parent project: Air Traffic Management-eXploration (ATM-X).

Upper E↗

Ion, X-Ray, UV And Neutron Microbeam Systems For Cell Irradiation

The array of microbeam cell-irradiation systems, available to users at the Radiological Research Accelerator Facility (RARAF), Center for Radiological Research, Columbia University, is expanding. The HVE 5MV Singletron particle accelerator at the facility provides particles to two focused ion microbeam lines: the sub-micron microbeam II and the permanent magnetic microbeam (PMM). Both the electrostatic quadrupole lenses on the microbeam II system and the magnetic quadrupole lenses on the PMM system are arranged as compound lenses consisting of two quadrupole triplets with 'Russian' symmetry. Also, the RARAF accelerator is a source for a proton-induced x-ray microbeam (undergoing testing) and is projected to supply protons to a neutron microbeam based on the {sup 7}Li(p,n){sup 7}Be nuclear reaction (under development). Leveraging from the multiphoton microscope technology integrated within the microbeam II endstation, a UV microspot irradiator - based on multiphoton excitation - is available for facility users. Highlights from radiation-biology demonstrations on single living mammalian cells are included in this review of microbeam systems for cell irradiation at RARAF.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

On the possibility of using X-ray Compton scattering to study magnetoelectrical properties of crystals

The possibility of using X-ray Compton scattering to reveal antisymmetric components of the electron momentum density, as a fingerprint of magnetoelectric sample properties, is investigated experimentally and theoretically by studying the polar ferromagnet GaFeO{sub 3}. This paper discusses the possibility of using Compton scattering – an inelastic X-ray scattering process that yields a projection of the electron momentum density – to probe magnetoelectrical properties. It is shown that an antisymmetric component of the momentum density is a unique fingerprint of such time- and parity-odd physics. It is argued that polar ferromagnets are ideal candidates to demonstrate this phenomenon and the first experimental results are shown, on a single-domain crystal of GaFeO{sub 3}. The measured antisymmetric Compton profile is very small (≃ 10{sup −5} of the symmetric part) and of the same order of magnitude as the statistical errors. Relativistic first-principles simulations of the antisymmetric Compton profile are presented and it is shown that, while the effect is indeed predicted by theory, and scales with the size of the valence spin–orbit interaction, its magnitude is significantly overestimated. The paper outlines some important constraints on the properties of the antisymmetric Compton profile arising from the underlying crystallographic symmetry of the sample.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The crystal structures of Ni{sub 3+x}Sn{sub 4}Zn and Ni{sub 6+x}Sn{sub 8}Zn and their structural relations to Ni{sub 3+x}Sn{sub 4}, NiSn and Ni{sub 5−δ}ZnSn{sub 4}

The crystal structures of two new compounds were determined from single-crystal X-ray diffraction measurements: Ni{sub 3+x}Sn{sub 4}Zn, (x~1.35, a=7.110(2) Å, b=4.123(1) Å, c=10.346(3) Å, β=90.23(2)°, space group I2/m, Z=2. R1=0.025, wR2=0.059 for 748 unique reflections, 35 variable parameters) and Ni{sub 6+x}Sn{sub 8}Zn, x~1.35 (a=12.379(3) Å, b=4.095(1) Å, c=12.155(3) Å, β=116.25(3)°, space group C2/m, Z=2. R1=0.026, wR2=0.052 for 1346 unique reflections, 60 variable parameters). In addition, a structural refinement was performed for Ni{sub 3+x}Sn{sub 4}, x~0.13 (a=12.264(3) Å, b=4.066(1) Å, c=5.223(2) Å, β=104.85(3)°, space group C2/m, Z=2. R1=0.019, wR2=0.046 for 617 unique reflections, 29 variable parameters). The three compounds show pronounced similarities among each other as well as to the crystal structures of surrounding binary Ni–Sn and ternary Ni–Sn–Zn compounds. In particular, the two new compounds form a homologous series with Ni{sub 3+x}Sn{sub 4}, x~0.13. They contain “Ni{sub 4}Sn{sub 4}” and “Ni{sub 2}Sn{sub 4}” building blocks which by different interconnection build up the distinct structures. Topological relations with NiSn and Ni{sub 5−δ}Sn{sub 4}Zn, δ~0.25 are evident. - Graphical abstract: Projection of the structure of Ni{sub 6+x}ZnSn{sub 8}, x~1.35 and constituent building blocks. Display Omitted - Highlights: • The crystal structures of Ni{sub 6+x}Sn{sub 8}Zn and Ni{sub 3+x}Sn{sub 4}Zn were determined using single crystal XRD. • Topological relations to Ni–Sn and Ni–Sn–Zn compounds were established and discussed. • Common structural units were identified and their interconnection patterns described.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗