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DOE OSTI2019

Modeling the Magnetopause Shadowing Loss During the June 2015 Dropout Event

Fast dropout of relativistic and ultrarelativistic electrons at both high and low L* regions were observed during the intense coronal mass ejection driven storm in June 2015. An improved radial diffusion model, using an event-specific Last Closed Drift Shell (LCDS) and newly-available radial diffusion coefficients ( DD LL ), is implemented to simulate the magnetopause shadowing loss of electrons. The model captures the fast shadowing loss of electrons well at high L* regions after both interplanetary shocks, and reproduces the initial adiabatic loss of the high-energy storage ring at low L* regions after the second strong shock. In this paper, we show for the first time that using the event-specific and K-dependent LCDS and improved DD LL is critical to reproduce the observed dropout features, including the timing, location, and the butterfly electron pitch angle distribution. Future inclusion of the EMIC wave scattering process is needed to model the observed further depletion of the storage ring.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Synthesis, crystal structure and optical properties of the new lead fluoride borate-Pb{sub 2}BO{sub 3}F

A new compound, Pb{sub 2}BO{sub 3}F, has been grown by high temperature solution method from the PbO-PbF{sub 2}-B{sub 2}O{sub 3} system for the first time. The crystal structure of this compound has been identified by single crystal X-ray diffraction analysis. It crystallizes in the hexagonal system, space group P6{sub 3}/m (No. 176) with unit-cell parameters a=7.2460(3) A, c=14.5521(17) A, Z=6, V=661.69(9) A{sup 3}. Its structure was solved by the direct methods and refined to R{sub 1}=0.0163 and wR{sub 2}=0.0367. The structure of Pb{sub 2}BO{sub 3}F consists of the distorted PbO{sub 3}F{sub 2} groups and BO{sub 3} triangles, which are all symmetric with each other in the gestalt structure to the extent that the Pb{sub 2}BO{sub 3}F compound crystallizes in the symmetric space group. The powder X-ray diffraction pattern of the Pb{sub 2}BO{sub 3}F has been measured. The BO{sub 3} functional groups presented in the sample were identified by FTIR spectrum. The DTA curve of Pb{sub 2}BO{sub 3}F suggests that Pb{sub 2}BO{sub 3}F melts congruently at 448 deg. C. - Graphical Abstract: The Pb atoms are in the five coordination environments bonded to three O atoms and two F atoms to make up the distortional PbO{sub 3}F{sub 2} polyhedra. Every six PbO{sub 3}F{sub 2} polyhedra are connected by one F(1) atom to form the symmetrical structure, and then the distortion of the PbO{sub 3}F{sub 2} polyhedra is offset. Highlights: > A new compound, Pb{sub 2}BO{sub 3}F, has been grown by high temperature solution method from the PbO-PbF{sub 2}-B{sub 2}O{sub 3} system for the first time. > It crystallizes in the hexagonal system, space group P6{sub 3}/m (No. 176) with unit-cell parameters a=7.2460(3) A, c=14.5521(17) A, Z=6, V=661.69(9) A{sup 3}. > UV-vis-NIR Diffuse-Reflectance spectrum shows that its ultraviolet cutoff edge is about 288 nm. > DTA curve of Pb{sub 2}BO{sub 3}F suggests that Pb{sub 2}BO{sub 3}F melts congruently at 448 deg. C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Turbulent nonpremixed cool flames: Experimental measurements, Direct Numerical Simulation, and manifold-based combustion modeling

Turbulence, low-temperature chemistry, and their interactions in the form of turbulent cool flames are critical to understanding and improving advanced engines. Design of such engines requires tractable simulations which in turn necessitate turbulent combustion models that can account for cool flames. While manifold-based turbulent combustion models are an attractive option for hot flames, their applicability to cool flames is not yet fully understood. This is partially due to the lack of turbulent cool flame experiments, which has made model validation difficult. This work addresses these points with a combined experimental and computational investigation of turbulent nonpremixed dimethyl ether cool flames. First, a Co-flow Axisymmetric Reactor-Assisted Turbulent (CARAT) burner is developed and tested. Turbulent cool flames are studied using the formaldehyde planar laser-induced fluorescence (PLIF), acetone PLIF, and planar Rayleigh scattering techniques. The acetone PLIF signals are converted into mixture fraction values, and measurements of time-averaged temperature are derived from the Rayleigh scattering signals by taking advantage of the similarities between cool flames and unburned mixtures. Second, a Direct Numerical Simulation (DNS) of the CARAT burner is conducted. The flame is shown to be sensitive to thermal boundary conditions such that the stabilization method is dependent on a 10 K change in inlet temperature. Comparisons of first- and second-order statistics of temperature, mixture fraction, and formaldehyde between the DNS and experiment show good agreement. The validity of manifold-based turbulent combustion models in turbulent cool flames is then explored by first studying the effective Lewis numbers in the flame using a local differential diffusion parameter analysis. Turbulent cool flames are shown to have effective unity Lewis number transport even at a much lower Reynolds number than typically required for hot flames. Good agreement is shown for temperature and formaldehyde between DNS conditional means and one-dimensional nonpremixed flame solutions. Additionally, the motion of the cool flame in mixture fraction space is shown to be well described by one-dimensional nonpremixed flame solutions. These points indicate that the fundamental physics of turbulent cool flames are analogous to turbulent hot flames, implying that the same reduced-order manifold-based modeling approaches utilized for turbulent hot flames can be utilized for turbulent cool flames.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Development of a reduced model of formation reactions in Zr-Al nanolaminates

A computational model of anaerobic reactions in metallic multilayered systems with an equimolar composition of zirconium and aluminum is developed. The reduced reaction formalism of M. Salloum and O. M. Knio, Combust. Flame 157(2): 288–295 (2010) is adopted. Attention is focused on quantifying intermixing rates based on experimental measurements of uniform ignition as well as measurements of self-propagating front velocities. Estimates of atomic diffusivity are first obtained based on a regression analysis. A more elaborate Bayesian inference formalism is then applied in order to assess the impact of uncertainties in the measurements, potential discrepancies between predictions and observations, as well as the sensitivity of predictions to inferred parameters. Intermixing rates are correlated in terms of a composite Arrhenius law, which exhibits a discontinuity around the Al melting temperature. Analysis of the predictions indicates that Arrhenius parameters inferred for the low-temperature branch lie within a tight range, whereas the parameters of the high-temperature branch are characterized by higher uncertainty. The latter is affected by scatter in the experimental measurements, and the limited range of bilayers where observations are available. For both branches, the predictions exhibit higher sensitivity to the activation energy than the pre-exponent, whose posteriors are highly correlated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Nuclear Theory from First Principles to Forefront Experiments (Final Report for DE-SC0018638)

The Lee research group is a part of the Nuclear Lattice Effective Field Theory Collaboration, which has developed and performed ab initio lattice simulations of nuclear structure, scattering, reactions, and many-body systems. The other senior members of the collaboration include Ulf-G. Meißner at Bonn/Julich, Evgeny Epelbaum and Hermann Krebs at Bochum, Timo Lahde and Thomas Luu at Julich, and Gautam Rupak at Mississippi State. Our letter “Ab initio alpha-alpha scattering” was featured in a Nature News and Views article. Another letter “Nuclear binding near a quantum phase transition” was highlighted in a Viewpoint article in the online APS journal Physics as well as a news article in the IOP publication Physics World (September 21, 2016). Our letter “Eigenvector continuation with subspace learning” was also highlighted a Synopsis article in Physics. There are many promising ab initio approaches being used to calculate the properties of few-and many-nucleon systems. This includes the no-core shell model, symmetry-adapted no-core shell model quantum Monte Carlo, auxiliary-field diffusion Monte Carlo, self-consistent Green’s functions, many-body perturbation theory, in-medium similarity renormalization group, and coupled cluster methods. Lattice effective field theory is another ab initio approach which combines the framework of effective field theory with lattice Monte Carlo methods to allow favorable scaling from few- to many-body systems. Perhaps the most important aspect of lattice effective field theory is that its strengths and weaknesses are orthogonal to that of other ab initio methods. For example, lattice effective field theory has little difficulty in probing cluster structures and collectivity, while such features are much more difficult using other methods. Furthermore it can be used to compute superfluid condensate fractions as well as the phase diagram of strongly matter and the density and temperature dependence of clustering. Lattice effective field theory was first used in simulations of infinite nuclear matter and infinite neutron matter with pions and without pions. In addition to the efforts by our collaboration, there have been recent efforts by other groups as well.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Operando Structure Determination of Cu and Zn on Supported MgO/SiO 2 Catalysts during Ethanol Conversion to 1,3-Butadiene

Electronic structure and reactivity of Cu- and Zn-promoted wet kneaded MgO/SiO 2 catalysts was interrogated during ethanol reaction to 1,3-BD. A multimodal nature of characterization, including in situ or operando X-ray, electron, light spectroscopies and steady state reactivity measurements demonstrated critical new information on the temporal evolution of the catalyst active sites including key measurements performed operando using synchrotron source (EXAFS and XANES). In situ DRIFT spectroscopy allowed to decouple the aldol condensation and dehydrogenation reactive steps due to the promotion with enhanced ability to carry out aldol condensation, as correlated with the steady state reactivity experiments . In situ UV-Vis spectroscopy presented a complex picture of the adsorbates with π- π* electronic transitions due to the allylic cations, cyclic or aromatic species while also suggesting oligomeric CuO species were formed. Operando X-ray measurements combined with ab initio multiple scattering modelling performed as a function of temperature identified a new transient intermediate assigned to a 4-fold coordinate Cu species that was key leading to increase in Cu-Cu pair number. For the first time, two types of Zn pairs, namely Zn-O and Zn-Mg, were identified during X-ray analysis under operating conditions. With Zn nearly 6-coordinated when in the vicinity of Mg while Zn-O species coordinated to nearly 4 nearest neighbors. The data suggest that such supported catalyst deactivation might proceed not only via carbon coking mechanism but also through the dispersed Cu site diffusion and growth due to the nearest neighbor oxygen atoms loss. The results presented suggest intermediates for segregation/deactivation mechanisms for a broader set of supported Cu and Zn catalysts used for alcohol upgrading catalytic reactions.

1,3-butadiene↗
DOE OSTI2022

Understanding the fundamental driver of semiconductor radiation tolerance with experiment and theory

Space is the operating environment of a multitude of systems that our society is heavily reliant on today, however, maintaining operability there necessitates special consideration of the electronic systems' tolerance of space radiation. Electronic systems are critically dependent on the electronic properties of their semiconductor components, which are modified by space radiation with an adverse impact on the space system performance. What innate property allows some semiconductors to sustain little damage while others accumulate defects rapidly with dose is poorly understood, which limits the extent to which radiation tolerance can be implemented as a design criterion. Here, to gain insight into what properties are drivers of semiconductor radiation tolerance, the first step is to generate a dataset of the relative radiation tolerance of a broad sampling of semiconductors. To accomplish this, Rutherford backscatter channeling experiments are used to compare the displaced lattice atom buildup in InAs, InP, GaP, GaN, ZnO, MgO, and Si as a function of stepwise alpha particle dose. With this experimental information on radiation-induced incorporation of interstitial defects in hand, hybrid density functional theory electron densities (and their derived quantities) are calculated and their gradient and Laplacian are evaluated to obtain key fundamental information about the interactions in each material. It is shown that simple, undifferentiated values (which are typically used to describe bond strength) are insufficient to predict radiation tolerance. Instead, the curvature of the electron density at bond critical points provides a measure of radiation tolerance consistent with the experimental results obtained. This curvature and associated forces surrounding bond critical points have the potential to disfavor the localization of displaced lattice atoms at these points, favoring their diffusion toward perfect lattice positions. With this criterion to predict radiation tolerance, simple density functional theory simulations can be conducted on potential new materials to gain insight into how they may operate in demanding high radiation environments.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Kinetics of Jammed Systems: PNIPA Gel

In the out-of-equilibrium state above the volume phase transition temperature, poly(N-isopropyl acrylamide) hydrogels deswell non-diffusively, relaxing instead by a hyperdiffusive mechanism as in jammed systems. X-ray photon correlation spectroscopy is employed to show that the unconventional relaxation properties (linear dependence of the intensity correlation function both on time and on transfer wave vector) are the consequence of uniform deswelling.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Cholesterol's location in lipid bilayers

It is well known that cholesterol modifies the physical properties of lipid bilayers. For example, the much studied liquid-ordered L o phase contains rapidly diffusing lipids with their acyl chains in the all trans configuration, similar to gel phase bilayers. Moreover, the L o phase is commonly associated with cholesterol-enriched lipid rafts, which are thought to serve as platforms for signaling proteins in the plasma membrane. Cholesterol's location in lipid bilayers has been studied extensively, and it has been shown – at least in some bilayers – to align differently from its canonical upright orientation, where its hydroxyl group is in the vicinity of the lipid–water interface. In this study we review recent works describing cholesterol's location in different model membrane systems with emphasis on results obtained from scattering, spectroscopic and molecular dynamics studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

The impact of environment on size: Galaxies are 50% smaller in the Fornax Cluster compared to the field

Size is a fundamental parameter for measuring the growth of galaxies and the role of the environment on their evolution. However, the conventional size definitions used for this purpose are often biased and miss the diffuse, outermost signatures of galaxy growth, including star formation and gas accretion. We address this issue by examining low surface brightness truncations or galaxy ‘edges’ as a physically motivated tracer of size based on star formation thresholds. Our total sample consists of ∼900 galaxies with stellar masses ranging from 10 5 M ⊙ < M ⋆ < 10 11 M ⊙ . This sample of nearby cluster, group satellite, and nearly isolated field galaxies was compiled using multi-band imaging from the Fornax Deep Survey, deep IAC Stripe 82, and Dark Energy Camera Legacy Surveys. We find that the edge radii scale as R edge ∝ M ⋆ 0.42 , with a very small intrinsic scatter (∼0.07 dex). The scatter is driven by the morphology and environment of galaxies. In both the cluster and field, early-type dwarfs are systematically smaller by approximately 20% compared to late-type dwarfs. However, galaxies in the Fornax cluster are the most impacted. At a fixed stellar mass, edges in the cluster can be found at about 50% smaller radii, and the average stellar surface density at the edges is a factor of two higher, ∼1 M ⊙ /pc 2 . Our findings support the rapid removal of loosely bound neutral hydrogen (H I ) in hot, crowded environments, which truncates galaxies outside-in earlier, preventing the formation of more extended sizes and lower density edges. Our results highlight the importance of deep imaging surveys to the study of low surface brightness imprints of the large-scale structure and environment on galaxy evolution.

Astronomy & Astrophysics↗
DOE OSTI2021

Constraints on MeV dark matter and primordial black holes: Inverse Compton signals at the SKA

Here we investigate the possibilities for probing MeV dark matter (DM) particles and primordial black holes (PBHs) (for masses ~ 10 15 –10 17 g) at the upcoming radio telescope SKA, using photon signals from the Inverse Compton (IC) effect within a galactic halo. Pair-annihilation or decay of MeV DM particles (into e + e - pairs) or Hawking radiation from a population of PBHs generates mildly relativistic e ± which can lead to radio signals through the IC scattering on low energy cosmic microwave background (CMB) photons. We study the ability of SKA to detect such signals coming from nearby ultra-faint dwarf galaxies Segue I and Ursa Major II as well as the globular cluster ω-cen and the Coma cluster. We find that with ~ 100 hours of observation, the SKA improves the Planck constraints on the DM annihilation/decay rate and the PBH abundance for masses in the range ~ 1 to few tens of MeV and above 10 15 to 10 17 g, respectively. Importantly, the SKA limits are independent of the assumed magnetic fields within the galaxies. Previously allowed regions of diffusion parameters of MeV electrons inside a dwarf galaxy that give rise to observable signals at the SKA are also excluded. For objects like dwarf galaxies, predicted SKA constraints depend on both the DM and diffusion parameters. Independent observations in different frequency bands, e.g., radio and γ-ray frequencies, may break this degeneracy and thus enable one to constrain the combined parameter space of DM and diffusion. However, the constraints are independent of diffusion parameters for galaxy clusters such as Coma.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Energetic Particles - microturbulence interaction thrust (EP SIWG white paper)

This white paper outlines a strategic approach to Energetic Particle (EP) research, aimed at applying the results to the future burning devices such as ITER. Our goal is to deepen the understanding of the interplay between plasma background microturbulence and diverse species of energetic ions in burning plasma devices. This strategy is poised to advance our knowledge in this crucial area of fusion science, paving the way for significant breakthroughs in plasma physics and fusion energy research. We consider the confinement of energetic ions such as auxiliary heating beams, minority ions from ICRH, and fusion product alpha particles. Recent studies have underscored the potential of EP/microturbulence interaction to enhance fusion plasma performance by stabilizing microturbulence. However, it also poses risks, such as exacerbating Alfvénic eigenmode (AE) instabilities, which could compromise the sustainability of plasma discharge by causing EP losses. The interplay between EPs and background microturbulence is evident in the phenomenon of effective pitch angle scattering, a crucial aspect of the quasilinear (QL) theory. This theory is integral to developing numerically-efficient yet comprehensive and self-consistent approaches, recently employed to investigate the relaxation of energetic particle populations in the holistic modeling of fusion-grade plasmas. The primary objectives of this white paper thrust encompass a dual focus. First is that we need to delve into the mechanisms through which microturbulence engenders effective pitch angle scattering. This investigation will entail the examination of the presence of known or self-consistently predicted spectra of modes accountable for microturbulence. In these explorations, electrostatic microturbulence serves as a logical initial stride towards achieving the trust's objectives. This endeavor is anticipated to yield formulations expressing the parametric dependencies of the effective pitch angle scattering frequency on variables such as thermal plasma electron and/or ion temperatures, as well as their respective thermal conductivities. In our second objective, we aim to delve into the intricate formation of zonal flow (ZF) structures amidst the complex interplay of microturbulence and Alfvenic eigenmodes (AEs). This endeavor poses greater challenges as we seek to unravel the macroscopic manifestations influenced by microturbulence, termed as zonal structures (ZS), stemming from microturbulence-induced ZF. Drawing from this understanding, we anticipate employing a QL approach to yield comprehensive insights into the distribution function of energetic particles (EP) within phase space. This method entails resolving the dominant multidimensional phase space diffusion processes while effectively averaging over the rapid ballistic responses. Nevertheless, substantial strides remain imperative to realize a comprehensive whole-device modeling framework. This entails meticulous verification and validation exercises against experimental observations, as well as rigorous benchmarking against theoretical frameworks and numerical simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Limits on Leptonic TeV Emission from the Cygnus Cocoon with Swift-XRT

$\gamma$-ray observations of the Cygnus Cocoon, an extended source surrounding the Cygnus X star-forming region, suggest the presence of a cosmic ray accelerator reaching energies up to a few PeV. The very-high-energy (VHE; 0.1-100~TeV) $\gamma$-ray emission may be explained by the interaction of cosmic-ray hadrons with matter inside the Cocoon, but an origin of inverse Compton radiation by relativistic electrons cannot be ruled out. Inverse Compton $\gamma$-rays at VHE are accompanied by synchrotron radiation peaked in X-rays. Hence, X-ray observations may probe the electron population and magnetic field of the source. We observed eleven fields in or near the Cygnus Cocoon with the Neil Gehrels Swift Observatory's X-Ray Telescope (Swift-XRT) totaling 110 ksec. We fit the fields to a Galactic and extra-galactic background model and performed a log-likelihood ratio test for an additional diffuse component. We found no significant additional emission and established upper limits in each field. By assuming that the X-ray intensity traces the TeV intensity and follows an dN/dE ∝ E -2.5 spectrum, we obtained a 90% upper limit of F X < 8.7 x 10 -11 erg cm -2 s -1 or 5.2 x10 -11 erg cm -2 s -1 on the X-ray flux of the entire Cygnus Cocoon between 2 and 10 keV depending on the choice of hydrogen column density model. This suggests that no more than one quarter of the $\gamma$-ray flux at 1 TeV is produced by inverse Compton scattering, when assuming an equipartition magnetic field of ~20 μG.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Impact of form factor uncertainties on interpretations of coherent elastic neutrino-nucleus scattering data

The standard model coherent elastic neutrino-nucleus scattering (CEνNS) cross section is subject to nuclear form factor uncertainties, mainly driven by the root-mean-square radius of the neutron density distribution. Motivated by COHERENT phases I-III and future multi-ton direct detection dark matter searches, we evaluate these uncertainties in cesium iodide, germanium, xenon and argon detectors. We find that the uncertainties become relevant for momentum transfers q≳20 MeV and are essentially independent of the form factor parameterization. Consequently, form factor uncertainties are not important for CEνNS induced by reactor or solar neutrinos. Taking into account these uncertainties, we then evaluate their impact on measurements of CEνNS at COHERENT, the diffuse supernova background (DSNB) neutrinos and sub-GeV atmospheric neutrinos. We also calculate the relative uncertainties in the number of COHERENT events for different nuclei as a function of recoil energy. For DSNB and atmospheric neutrinos, event rates at a liquid argon detector can be uncertain to more than 5%. Finally, we consider the impact of form factor uncertainties on searches for nonstandard neutrino interactions, sterile neutrinos and neutrino generalized interactions. We point out that studies of new physics using CEνNS data are affected by neutron form factor uncertainties, which if not properly taken into account may lead to the misidentification of new physics signals. The uncertainties quantified here are also relevant for dark matter direct detection search

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Observations of a Coronal Shock Wave and the Production of Solar Energetic Particles

We present a study that clarifies the acceleration source/mechanism of the solar energetic particle (SEP) event on 2011 August 9. Based on the assumption of scatter-free propagation of charged particles along the interplanetary magnetic field, the solar particle release times of the electrons and protons are derived and both found to be in the decay phase of the flare emission. Furthermore, we compare the peak-flux spectra of the in situ particles and the remote-sensing hard X-ray photons and find a weak correlation between them. In particular, we note that an extreme ultraviolet shock wave, presumed to be a signature of coronal mass ejection (CME) shock front on the solar surface, and an associated type II radio burst were observed alongside this event. Under the framework of diffusive shock acceleration, the derived shock compression ratio can accelerate particles with a theoretical spectral index γ=2.14{sub −0.02}{sup +0.01}, which is comparable to the observational index of ∼2.0. Our results appear to support the notion that the coronal shock wave was most likely responsible for the SEP event. Specifically, we find that the electrons were released in a low coronal site at ∼0.58 solar radii, and protons were released when the CME-driven shock propagated to ∼1.38 solar radii. The multi-spacecraft observations, in addition, reveal the connection between the acceleration of shock waves and the release of SEPs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Comprehensive Dynamics in a Polyelectrolyte Complex Coacervate

The linear viscoelastic response, LVR, of a hydrated polyelectrolyte complex coacervate, PEC, was evaluated over a range of frequencies, temperatures, and salt concentrations. The PEC was a nearly stoichiometric blend of a quaternary ammonium poly([3-(methacrylamido)propyl]trimethylammonium chloride), PMAPTAC, and poly(2-acrylamido-2-methyl-1-propanesulfonic acid sodium salt), PAMPS, an aliphatic sulfonate, selected because they remain fully charged over the conditions of use. Narrow molecular weight distribution polyelectrolytes were prepared using fractionation techniques. A partially deuterated version of PMAPTAC was incorporated to determine its coil radius of gyration, R g , within PECs using small-angle neutron scattering. Chain dimensions were determined to be Gaussian with a Kuhn length of 2.37 nm, which remained constant from 25 to 65 °C. The LVR for a series of matched molecular weight PECs, mostly above the entanglement threshold, exhibited crossovers of modulus versus frequency classically attributed to the reptation time, relaxation between entanglements, and the relaxation of a Kuhn length of units (the “monomer” time). The scaling for zero shear viscosity, η 0 , versus chain length, N, was η 0 ~ N 3.1 , in agreement with “sticky reptation” theory. The lifetime and activation energy, E p , of a pair between polyanion and polycation repeat units, Pol + Pol – , were determined from diffusion coefficients of salt ions within the PEC. The activation energy for LVR of salt-free PECs was 2E p , showing that the key mechanism limiting the dynamics of undoped PECs is pair exchange. An FTIR technique was used to distinguish whether SCN– acts as a counterion or a co-ion within PECs. Doping of PECs with NaSCN breaks Pol + Pol – pairing efficiently, which decreases effective cross-linking and decreases viscosity. Finally, an equation was derived that quantitatively predicts this effect.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

HELIOS: AN OPEN-SOURCE, GPU-ACCELERATED RADIATIVE TRANSFER CODE FOR SELF-CONSISTENT EXOPLANETARY ATMOSPHERES

We present the open-source radiative transfer code named HELIOS, which is constructed for studying exoplanetary atmospheres. In its initial version, the model atmospheres of HELIOS are one-dimensional and plane-parallel, and the equation of radiative transfer is solved in the two-stream approximation with nonisotropic scattering. A small set of the main infrared absorbers is employed, computed with the opacity calculator HELIOS-K and combined using a correlated-k approximation. The molecular abundances originate from validated analytical formulae for equilibrium chemistry. We compare HELIOS with the work of Miller-Ricci and Fortney using a model of GJ 1214b, and perform several tests, where we find: model atmospheres with single-temperature layers struggle to converge to radiative equilibrium; k-distribution tables constructed with ≳0.01 cm{sup −1} resolution in the opacity function (≲10{sup 3} points per wavenumber bin) may result in errors ≳1%–10% in the synthetic spectra; and a diffusivity factor of 2 approximates well the exact radiative transfer solution in the limit of pure absorption. We construct “null-hypothesis” models (chemical equilibrium, radiative equilibrium, and solar elemental abundances) for six hot Jupiters. We find that the dayside emission spectra of HD 189733b and WASP-43b are consistent with the null hypothesis, while the latter consistently underpredicts the observed fluxes of WASP-8b, WASP-12b, WASP-14b, and WASP-33b. We demonstrate that our results are somewhat insensitive to the choice of stellar models (blackbody, Kurucz, or PHOENIX) and metallicity, but are strongly affected by higher carbon-to-oxygen ratios. The code is publicly available as part of the Exoclimes Simulation Platform (exoclime.net).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Resolving broadening of ECRH deposition due to edge turbulence in DIII-D by heat deposition measurement

Interaction between microwave power, used for local heating and mode control, and density fluctuations can produce a broadening of the injected beam, as confirmed in experiment and simulation. Increased power deposition width could impact suppression of tearing mode structures on ITER[1]. This work discusses the experimental portion of an effort to understand scattering of injected microwaves by turbulence on the DIII-D tokamak. The corresponding theoretical modeling work can be found in M.B. Thomas et. al.: Submitted to Nuclear Fusion (2017)[Author Note - this paper to be published in same journal]. In a set of perturbative heat transport experiments, tokamak edge millimeter-scale fluctuation levels and microwave heat deposition are measured simultaneously. Beam broadening is separated from heat transport through fitting of modulated fluxes[2]. Electron temperature measurements from a 500 kHz, 48-channel ECE radiometer are Fourier analyzed and used to calculate a deposition-dependent flux[3]. Consistency of this flux with a transport model is evaluated. A diffusive(∝ ∇˜ T e ) and convective(∝ ˜ T e ) transport solution is linearized and compared with energy conservation-derived fluxes. Comparison between these two forms of heat flux is used to evaluate the quality of ECRF deposition profiles, and a Χ 2 minimization finds a significant broadening of 1D equilibrium ray tracing calculations from the benchmarked TORAY-GA ray tracing code[4] is needed. The physical basis, cross-validation, and application of the heat flux method is presented. The method is applied to a range of DIII-D discharges and finds a broadening factor of the deposition profile width which scales linearly with edge density fluctuation level. Furthermore, these experimental results are found to be consistent with the full-wave beam broadening measured by the 3D full wave simulations in the same discharges[5].

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗