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DOE OSTI2016

Mapping the monoceros ring in 3D with Pan-STARRS1

Using the Pan-STARRS1 survey, we derive limiting magnitude, spatial completeness, and density maps that we use to probe the three-dimensional structure and estimate the stellar mass of the so-called Monoceros Ring. The Monoceros Ring is an enormous and complex stellar sub-structure in the outer Milky Way disk. It is most visible across the large Galactic Anticenter region, 120{sup ∘}<l<240{sup ∘}, −30{sup ∘}<b<+40{sup ∘}. We estimate its stellar mass density profile along every line of sight in 2° × 2° pixels over the entire 30,000 deg{sup 2} Pan-STARRS1 survey using the previously developed match software. By parsing this distribution into a radially smooth component and the Monoceros Ring, we obtain its mass and distance from the Sun along each relevant line of sight. The Monoceros Ring is significantly closer to us in the south (6 kpc) than in the north (9 kpc). We also create 2D cross-sections parallel to the Galactic plane that show 135° of the Monoceros Ring in the south and 170° of the Monoceros Ring in the north. We show that the northern and southern structures are also roughly concentric circles, suggesting that they may be waves rippling from a common origin. Excluding the Galactic plane ∼±4{sup ∘}, we observe an excess mass of 4×10{sup 6}M{sub ⊙} across 120{sup ∘}<l<240{sup ∘}. If we interpolate across the Galactic plane, we estimate that this region contains 8×10{sup 6}M{sub ⊙}. If we assume (somewhat boldly) that the Monoceros Ring is a set of two Galactocentric rings, its total mass is 6×10{sup 7}M{sub ⊙}. Finally, if we assume that it is a set of two circles centered at a point 4 kpc from the Galactic center in the anti-central direction, as our data suggests, we estimate its mass to be 4×10{sup 7}M{sub ⊙}.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Study of Swift/BAT selected low-luminosity active galactic nuclei observed with Suzaku

We systematically analyze the broadband (0.5–200 keV) X-ray spectra of hard X-ray (>10 keV) selected local low-luminosity active galactic nuclei (LLAGNs) observed with Suzaku and Swift/BAT. The sample consists of 10 LLAGNs detected with Swift/BAT with intrinsic 14–195 keV luminosities smaller than 10{sup 42} erg s{sup −1} available in the Suzaku archive, covering a wide range of the Eddington ratio from 10{sup −5} to 10{sup −2}. The overall spectra can be reproduced with an absorbed cut-off power law, often accompanied by reflection components from distant cold matter, and/or optically thin thermal emission from the host galaxy. In all of the objects, relativistic reflection components from the innermost disk are not required. Eight objects show a significant narrow iron-Kα emission line. Comparing their observed equivalent widths with the predictions from the Monte-Carlo-based torus model by Ikeda et al. (2009), we constrain the column density in the equatorial plane to be log N{sub H}{sup eq}>22.7, or the torus half-opening angle θ {sub oa} < 70°. We infer that the Eddington ratio (λ {sub Edd}) is a key parameter that determines the torus structure of LLAGNs: the torus becomes large at λ {sub Edd} ≳ 2 × 10{sup −4}, whereas at lower accretion rates it is little developed. The luminosity correlation between the hard X-ray and mid-infrared (MIR) bands of the LLAGNs follows the same correlation as for more luminous AGNs. This implies that mechanisms other than AGN-heated dust are responsible for the MIR emission in low Eddington ratio LLAGNs.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Stellar Abundance Maps of the Milky Way Disk

To understand the formation of the Milky Way's prominent bar it is important to know whether stars in the bar differ in the chemical element composition of their birth material as compared to disk stars. This requires stellar abundance measurements for large samples across the Milky Way's body. Such samples, e.g., luminous red giant stars observed by the Sloan Digital Sky Survey's APOGEE survey, will inevitably span a range of stellar parameters; as a consequence, both modeling imperfections and stellar evolution may preclude consistent and precise estimates of their chemical composition at a level of purported bar signatures, which has left current analyses of a chemically distinct bar inconclusive. Here, we develop a new self-calibration approach to eliminate both modeling and astrophysical abundance systematics among red giant branch (RGB) stars of different luminosities (and hence surface gravity $\mathrm{log} g$). We apply our method to 48,853 luminous APOGEE Data Release 16 RGB stars to construct spatial abundance maps of 20 chemical elements near the Milky Way's mid-plane, covering galactocentric radii of 0 kpc < R GC < 20 kpc. Our results indicate that there are no abundance variations whose geometry matches that of the bar, and that the mean abundance gradients vary smoothly and monotonically with galactocentric radius. We confirm that the high-α disk is chemically homogeneous, without spatial gradients. Furthermore, we present the most precise [Fe/H] versus R GC gradient to date with a slope of – 0.057 ±0.001 dex kpc –1 out to approximately 15 kpc.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

On the induced gravitational collapse scenario of gamma-ray bursts associated with supernovae

Following the induced gravitational collapse (IGC) paradigm of gamma-ray bursts (GRBs) associated with type Ib/c supernovae, we present numerical simulations of the explosion of a carbon–oxygen (CO) core in a binary system with a neutron-star (NS) companion. The supernova ejecta trigger a hypercritical accretion process onto the NS thanks to a copious neutrino emission and the trapping of photons within the accretion flow. We show that temperatures of 1–10 MeV develop near the NS surface, hence electron–positron annihilation into neutrinos becomes the main cooling channel leading to accretion rates of 10{sup −9}–10{sup −1} M{sub ⊙} s{sup −1} and neutrino luminosities of 10{sup 43}–10{sup 52} erg s{sup −1} (the shorter the orbital period the higher the accretion rate). We estimate the maximum orbital period, P{sub max}, as a function of the NS initial mass, up to which the NS companion can reach by hypercritical accretion the critical mass for gravitational collapse leading to black hole formation. We then estimate the effects of the accreting and orbiting NS companion onto a novel geometry of the supernova ejecta density profile. We present the results of a 1.4×10{sup 7} particle simulation which show that the NS induces accentuated asymmetries in the ejecta density around the orbital plane. We elaborate on the observables associated with the above features of the IGC process. We apply this framework to specific GRBs: we find that X-ray flashes (XRFs) and binary-driven hypernovae are produced in binaries with P>P{sub max} and P<P{sub max}, respectively. We analyze in detail the case of XRF 060218.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

Collaborative Project. 3D Radiative Transfer Parameterization Over Mountains/Snow for High-Resolution Climate Models. Fast physics and Applications

Under the support of the aforementioned DOE Grant, we have made two fundamental contributions to atmospheric and climate sciences: (1) Develop an efficient 3-D radiative transfer parameterization for application to intense and intricate inhomogeneous mountain/snow regions. (2) Innovate a stochastic parameterization for light absorption by internally mixed black carbon and dust particles in snow grains for understanding and physical insight into snow albedo reduction in climate models. With reference to item (1), we divided solar fluxes reaching mountain surfaces into five components: direct and diffuse fluxes, direct- and diffuse-reflected fluxes, and coupled mountain-mountain flux. “Exact” 3D Monte Carlo photon tracing computations can then be performed for these solar flux components to compare with those calculated from the conventional plane-parallel (PP) radiative transfer program readily available in climate models. Subsequently, Parameterizations of the deviations of 3D from PP results for five flux components are carried out by means of the multiple linear regression analysis associated with topographic information, including elevation, solar incident angle, sky view factor, and terrain configuration factor. We derived five regression equations with high statistical correlations for flux deviations and successfully incorporated this efficient parameterization into WRF model, which was used as the testbed in connection with the Fu-Liou-Gu PP radiation scheme that has been included in the WRF physics package. Incorporating this 3D parameterization program, we conducted simulations of WRF and CCSM4 to understand and evaluate the mountain/snow effect on snow albedo reduction during seasonal transition and the interannual variability for snowmelt, cloud cover, and precipitation over the Western United States presented in the final report. With reference to item (2), we developed in our previous research a geometric-optics surface-wave approach (GOS) for the computation of light absorption and scattering by complex and inhomogeneous particles for application to aggregates and snow grains with external and internal mixing structures. We demonstrated that a small black (BC) particle on the order of 1 μm internally mixed with snow grains could effectively reduce visible snow albedo by as much as 5–10%. Following this work and within the context of DOE support, we have made two key accomplishments presented in the attached final report.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

Magnetic field spectral crossings of Luttinger holes in quantum wells

We develop an analytic approach to two-dimensional (2D) holes in a magnetic field that allows us to gain insight into physics of measuring the parameters of holes, such as cyclotron resonance, Shubnikov-de Haas effect and spin resonance. We derive hole energies, cyclotron masses, and the 𝑔 factors in the semiclassical regime analytically, as well as analyze numerical results outside the semiclassical range of parameters, qualitatively explaining the experimentally observed magnetic field dependence of the cyclotron mass. In the semiclassical regime with large Landau level indices, and for size quantization energy much bigger than the cyclotron energy, the cyclotron mass coincides with the in-plane effective mass, calculated in the absence of a magnetic field. The hole 𝑔 factor in a magnetic field perpendicular to the 2D plane is defined not only by the constant of direct coupling of the angular momentum of the holes to the magnetic field, but also by the Luttinger constants defining the effective masses of holes. We find that the 𝑔 factor for quasi-2D holes with heavy mass in the [001] growth direction in GaAs quantum well is 𝑔 = 4.05 in the semiclasssical regime. Outside the semiclassical range of parameters, holes behave as a species completely different from electrons. Spectra for size- and magnetic-field-quantized holes are nonequidistant, not fanlike, and exhibit multiple crossings, including crossing in the ground level. We calculate the effect of Dresselhaus terms, which transform some of the crossings into anticrossings, and the effects of the anisotropy of the Luttinger Hamiltonian on the 2D hole spectra. Dresselhaus terms of different symmetries are taken into account, and a regularization procedure is developed for the 𝑘$^{3}_{𝑧}$ Dresselhaus terms. Furthermore, control of the nonequidistant levels and crossing structure by the magnetic field can be used to control the Landau level mixing in hole systems, and thereby control hole-hole interactions in the magnetic field.

Simion, G. E.↗

DOE OSTI2015

Mechanical properties of water-assembled graphene oxide Langmuir monolayers: Guiding controlled transfer

Liquid-phase transfer of graphene oxide (GO) and reduced graphene oxide (RGO) monolayers is investigated from the perspective of the mechanical properties of these films. Monolayers are assembled in a Langmuir–Blodgett trough, and oscillatory barrier measurements are used to characterize the resulting compressive and shear moduli as a function of surface pressure. GO monolayers are shown to develop a significant shear modulus (10–25 mN/m) at relevant surface pressures while RGO monolayers do not. The existence of a shear modulus indicates that GO is acting as a two-dimensional solid driven by strong interaction between the individual GO sheets. The absence of such behavior in RGO is attributed to the decrease in oxygen moieties on the sheet basal plane, permitting RGO sheets to slide across one another with minimum energy dissipation. Knowledge of this two-dimensional solid behavior is exploited to successfully transfer large-area, continuous GO films to hydrophobic Au substrates. The key to successful transfer is the use of shallow-angle dipping designed to minimize tensile stress present during the insertion or extraction of the substrate. A shallow dip angle on hydrophobic Au does not impart a beneficial effect for RGO monolayers, as these monolayers do not behave as two-dimensional solids and do not remain coherent during the transfer process. As a result, we hypothesize that this observed correlation between monolayer mechanical properties and continuous film transfer success is more universally applicable across substrate hydrophobicities and could be exploited to control the transfer of films composed of two-dimensional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Ideal magnetohydrodynamic equilibrium in a non-symmetric topological torus

An alternative representation of an ideal magnetohydrodynamic equilibrium is developed. The representation is a variation of one given by A. Salat, Phys. Plasmas 2, 1652 (1995). The system of equations is used to study the possibility of non-symmetric equilibria in a topological torus, here an approximate rectangular parallelopiped, with periodicity in two of the three rectangular coordinates. An expansion is carried out in the deviation of pressure surfaces from planes. Resonances are manifest in the process. Nonetheless, provided the magnetic shear is small, it is shown that it is possible to select the magnetic fields and flux surfaces in such a manner that no singularities appear on resonant surfaces. One boundary surface of the parallelopiped is not arbitrary but is dependent on the equilibrium in question. A comparison of the solution sets of axisymmetric and non-axisymmetric equilibria suggests that the latter have a wider class of possible boundary shapes but more restrictive rotational transform profiles. No proof of convergence of the series is given.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2014

Single beam Fourier transform digital holographic quantitative phase microscopy

Quantitative phase contrast microscopy reveals thickness or height information of a biological or technical micro-object under investigation. The information obtained from this process provides a means to study their dynamics. Digital holographic (DH) microscopy is one of the most used, state of the art single-shot quantitative techniques for three dimensional imaging of living cells. Conventional off axis DH microscopy directly provides phase contrast images of the objects. However, this process requires two separate beams and their ratio adjustment for high contrast interference fringes. Also the use of two separate beams may make the system more vulnerable to vibrations. Single beam techniques can overcome these hurdles while remaining compact as well. Here, we describe the development of a single beam DH microscope providing whole field imaging of micro-objects. A hologram of the magnified object projected on to a diffuser co-located with a pinhole is recorded with the use of a commercially available diode laser and an arrayed sensor. A Fourier transform of the recorded hologram directly yields the complex amplitude at the image plane. The method proposed was investigated using various phase objects. It was also used to image the dynamics of human red blood cells in which sub-micrometer level thickness variation were measurable.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Development of a multi-lane X-ray mirror providing variable beam sizes

Grazing incidence mirrors are used on most X-ray synchrotron beamlines to focus, collimate or suppress harmonics. Increasingly beamline users are demanding variable beam shapes and sizes at the sample position. We have now developed a new concept to rapidly vary the beam size and shape of a focused X-ray beam. The surface of an elliptically figured mirror is divided into a number of laterally separated lanes, each of which is given an additional longitudinal height profile calculated to shape the X-ray beam to a top-hat profile in the focal plane. We have now fabricated two prototype mirrors and present the results of metrology tests and measurements made with one of the mirrors focusing the X-rays on a synchrotron beamline. We envisage that such mirrors could be widely applied to rapid beam-size switching on many synchrotron beamlines.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Emergence of the isotropic Kitaev honeycomb lattice $α$–RuCl 3 and its magnetic properties

Here, we present a comprehensive investigation of the crystal and magnetic structures of the van der Waals antiferromagnet $α$–RuCl 3 using single crystal x-ray and neutron diffraction. The crystal structure at room temperature is a monoclinic (C2/m). However, with decreasing temperature, a remarkable first-order structural phase transition is observed, leading to the emergence of a rhombohedral ($R\bar3$) structure characterized by three-fold rotational symmetry forming an isotropic honeycomb lattice. On further cooling, a zigzag-type antiferromagnetic order develops below $T_{\textrm{N}} = 6\sim6.6$ K. The critical exponent of the magnetic order parameter was determined to be $\beta = 0.11(1)$, which is close to the two-dimensional Ising model. Additionally, the angular dependence of the magnetic critical field of the zigzag antiferromagnetic order for the polarized ferromagnetic phase reveals a six-fold rotational symmetry within the ab–plane. These findings reflect the symmetry associated with the Ising-like bond-dependent Kitaev spin interactions and underscore the universality of the Kitaev interaction-dominated antiferromagnetic system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Performance simulation of the soft gamma-ray concentrator

The soft gamma-ray concentrator is a telescope mission concept utilizing a suitable arrangement of bent multilayer structures of alternating low- and high-density materials. This lens is able to channel gamma-ray photons via total external reflection and concentrate the incident radiation to a point. The channeling technique offers the potential for concentrating gamma rays with focal lengths <10 m and energies >100 keV, beyond the reach of current grazing-incidence hard x-ray mirrors. For the performance estimation of such an instrument, we have developed a flexible set of computer modeling tools to compute the optical properties of multilayer structures, predict the channeling efficiency for a given multilayer configuration, and aid in the optimization of potential gamma-ray concentrator-based telescope designs. This modeling includes the multilayer optical properties calculated by the IMD software, the ray tracing using an IDL code, and the focal plane detector simulation by MEGAlib. We illustrate the potential of this approach by presenting simulated astronomical observations from a balloon-borne platform. The final result, including simulated effective area, instrument sensitivity, and polarization performance, shows that the gamma-ray concentrator will provide greatly increased sensitivity for next-generation soft gamma-ray missions with modest cost and complexity.

47 OTHER INSTRUMENTATION↗

DOE OSTI2015

Interfacial development of electrophoretically deposited graphene oxide films on Al alloys

Adhesion between film and substrate is critical for electronic device and coating applications. Interfacial development between electrophoretically deposited graphene oxide films on Al 1100 and Al 5052 alloys were investigated using FT-IR and XPS depth profiling techniques. Obtained results suggest metal ion permeation from the substrates into deposited graphene oxide films. The interface between the films and the substrates were primarily composed of Al-O-C bonds from oxygenated defects on graphene oxide plane rather than expected Al-C formation. Films heat treated at 150 °C had change in microstructure and peak shifts in XPS spectra suggesting change in chemical structure of bonds between the films and the substrates.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2017

Electromagnetic Pulse Excitation of Finite-Long Dissipative Conductors over a Conducting Ground Plane in the Time Domain

This report details the modeling results for the response of a finite-length dissipative conductor interacting with a conducting ground to a hypothetical nuclear device with the same output energy spectrum as the Fat Man device. We use a time-domain method based on transmission line theory that allows accounting for time-varying air conductivities. We implemented such method in a code we call ATLOG - Analytic Transmission Line Over Ground. Results are compared the frequency-domain version of ATLOG previously developed and to the circuit simulator Xyce in some instances. Intentionally Left Blank

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2017

A representation of Weyl–Heisenberg Lie algebra in the quaternionic setting

Using a left multiplication defined on a right quaternionic Hilbert space, linear self-adjoint momentum operators on a right quaternionic Hilbert space are defined in complete analogy with their complex counterpart. With the aid of the so-obtained position and momentum operators, we study the Heisenberg uncertainty principle on the whole set of quaternions and on a quaternionic slice, namely on a copy of the complex plane inside the quaternions. For the quaternionic harmonic oscillator, the uncertainty relation is shown to saturate on a neighborhood of the origin in the case we consider the whole set of quaternions, while it is saturated on the whole slice in the case we take the slice-wise approach. In analogy with the complex Weyl–Heisenberg Lie algebra, Lie algebraic structures are developed for the quaternionic case. Finally, we introduce a quaternionic displacement operator which is square integrable, irreducible and unitary, and we study its properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

Three-dimensional EBSD characterization of thermo-mechanical fatigue crack morphology in compacted graphite iron

In cylinder heads made of compacted graphitic iron (CGI), heating and cooling cycles can lead to localized cracking due to thermo-mechanical fatigue (TMF). To meticulously characterize the complex crack path morphology of CGI under TMF condition, in relation to microstructural features and to find out how and by which mechanisms the cracks predominantly develop, three-dimensional electron back scattering diffraction (EBSD) was employed. Based on the precise quantitative microstructural analysis, it is found that graphite particles not only play a crucial role in the crack initiation, but also are of primary significance for crack propagation, i.e. crack growth is enhanced by the presence of graphite particles. Furthermore, the density of graphite particles on the fracture plane is more than double as high as in any other arbitrary plane of the structure. The obtained results did not indicate a particular crystallographic preference of fracture plane, i.e. the crystal plane parallel to the fracture plane was nearly of random orientation. - Highlights: • Crystallographic features of a thermo-mechanical fatigue (TMF) crack were studied. • Wide-field 3D EBSD is used to characterize the TMF crack morphology. • Data processing was applied on a large length scale of the order of millimeters. • Graphite density in the fracture plane is much higher than any other random plane. • It is revealed that crack growth is enhanced by the presence of graphite particles.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Local Atomic Configuration Control of Superconductivity in the Undoped Pnictide Parent Compound BaFe 2 As 2

Emergent superconductivity is strongly correlated with the symmetry of local atomic configuration in the parent compounds of iron-based superconductors. While chemical doping or hydrostatic pressure can change the local geometry, conventional approaches do not provide a clear pathway in predictably tuning the detailed atomic arrangement due to the parent compound’s complicated structural deformation in the presence of the tetragonal-to-orthorhombic phase transition. Here, we demonstrate a systematic approach to manipulate local structural configurations in BaFe 2 As 2 epitaxial thin films by controlling two independent structural factors, orthorhombicity (in-plane anisotropy) and tetragonality (out-of-plane/in-plane balance), from lattice parameters. We tune superconductivity without doping utilizing both structural factors separately and controlling local tetrahedral coordination in the designed thin film heterostructures with substrate clamping and biaxial strain. We further show this allows quantitative control of the structural phase transition, the associated magnetism, and superconductivity in parent material BaFe 2 As 2 . Furthermore, this approach will advance the development of tunable thin film superconductors in a reduced dimension.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

Fast magnetic response in gigahertz-band for columnar-structured Fe nanoparticle assembly

High density Fe-based ferromagnetic nanoparticle (NP) assembly is expected to have unique magnetic properties, such as superferromagnetism and super-spin-glass, different from magnetically isolated NP systems due to strong dipole interactions among the NPs. A high dipole interaction field, H{sub dip}, of ∼3.5 kOe can result in a high effective internal field to the magnetic moment of the NP, expecting for ultra-fast magnetic response, that is, a high magnetic resonance frequency, f{sub r}, of ∼10 GHz. However, for a simply molded Fe NP assembly, a low f{sub r} was observed due to inhomogeneous distribution of the internal field, implying the necessity of a unidirectional state of H{sub dip} for higher f{sub r}. In this study, we fabricated a columnar Fe NP assembly for realizing the unidirectional state of H{sub dip} by applying our uniquely developed external field-induced agglomeration method for monodispersed Fe NPs (13 nm in average size) as a function of the field (0–30 kOe) and volume fraction of the Fe NPs (0.5%–51%) in a polymer matrix with dimensions of 4 mm × 4 mm × 0.7 mm{sup t}. A columnar-structured Fe NP assembly was successfully achieved along an in-plane direction (defined as the x-axis) under optimized conditions. From static magnetization curves, induced uniaxial magnetic anisotropy was observed according to the shape of the columnar structure of the Fe NP assembly, where easy and hard axes of magnetization were realized along the parallel (x-axis) and normal directions (in-plane y-axis and z-axis in the thickness direction) to the external field during the process, respectively. Interestingly, this fabricated columnar-structured Fe NP assembly exhibited very high f{sub r} in the range from 3 to 11 GHz judging from the complex susceptibility spectra obtained. The f{sub r} values were well-scaled by a modified Snoek's-limit-law using demagnetization factors quantitatively estimated from the static magnetization curves. Thus, shape-induced anisotropy originating from the unidirectional state of H{sub dip} in the columnar structure of the Fe NP assembly plays an important role for high frequency magnetic response in the GHz-band.

36 MATERIALS SCIENCE↗