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Thermodynamics of the Inner Heliosheath

We derive annual sky maps of the proton temperature in the inner heliosheath (IHS), and track their temporal evolution over the years 2009–2016 of Interstellar Boundary Explorer observations. Other associated thermodynamic parameters also determined are the density, kappa (the parameter that characterizes kappa distributions), temperature rate, polytropic index, and entropy. We exploit the theory of kappa distributions and their connection with polytropes, to (i) express a new polytropic quantity Π that remains invariant along streamlines where temperature and density may vary, (ii) parameterize the proton flux in terms of the Π invariant and kappa, and (iii) derive the temperature and density, respectively, from the slope and intercept of the linear relationship between kappa and logarithm of Π. We find the following thermodynamic characteristics: (1) temperature sky maps and histograms shifted to their lowest values in 2012 and their highest in 2015; (2) temperature negatively correlated with density, reflecting the subisothermal polytropic behavior; (3) temperature positively correlated with kappa, revealing characteristics of the mechanism responsible for generating kappa distributions; (4) processes in IHS are subisothermal tending toward isobaric, consistent with previously published results; (5) linear relationship between kappa and polytropic indices, revealing characteristics of the particle potential energy; and (6) entropy positively correlated with polytropic index, aligned with the underlying theory that entropy increases toward the isothermal state where the kappa distribution reduces to the Maxwell–Boltzmann description.

79 ASTRONOMY AND ASTROPHYSICS↗

Particlelike Phonon Propagation Dominates Ultralow Lattice Thermal Conductivity in Crystalline Tl 3 VSe 4

We explore the microscopic mechanisms of ultralow lattice thermal conductivity ($\kappa_{l}$) in Tl$_{3}$VSe$_{4}$~by combining a first-principles density-functional theory (DFT) based framework of anharmonic lattice dynamics with the Peierls-Boltzmann transport equation (PBTE) for phonons. We include contributions of the three- and four-phonon scattering processes to the phonon lifetimes as well as the temperature-dependent anharmonic renormalization of phonon energies arising from an unusually strong quartic anharmonicity in Tl$_{3}$VSe$_{4}$. In contrast to a recent report by Mukhopadhyay~\etal [\textcolor{blue}{Science 360, 1455 (2018)}] which suggested that a significant contribution to $\kappa_{l}$ arises from random walks among uncorrelated oscillators, we show that particle-like propagation of phonon excitations can successfully explain the experimentally observed ultralow $\kappa_{l}$. Our results are also supported by explicit calculations of the off-diagonal terms of the heat-current operator, which are found to be small and indicate that wave-like tunneling of heat-carrying vibrations is of minor importance. Our results (i) resolve the discrepancy between the theoretical and experimental $\kappa_{l}$, (ii) offer new insights into the minimum $\kappa_{l}$ achievable in \TlVSe, and (iii) highlight the importance of high-order anharmonicity in low-$\kappa_{l}$ systems. The methodology demonstrated here may be used to resolve the discrepancies between the experimentally measured and the theoretically calculated $\kappa_{l}$ in skutterides and perovskites, as well as to understand the glasslike $\kappa_{l}$ in complex crystals with strong anharmonicity, leading towards the goal of rational design of new materials.

36 MATERIALS SCIENCE↗

Nonlinear evolution of magnetic flux ropes. 2: Finite beta plasma

In this second paper on the evolution of magnetic flux ropes we study the effects of gas pressure. We assume that the energy transport is described by a polytropic relationship and reduce the set of ideal MHD equations to a single, second-order, nonlinear, ordinary differential equation for the evolution function. For this conservative system we obtain a first integral of motion. To analyze the possible motions, we use a mechanical analogue -- a one-dimensional, nonlinear oscillator. We find that the effective potential for such an oscillator depends on two parameters: the polytropic index gamma and a dimensionless quantity kappa the latter being a function of the plasma beta, the strength of the azimuthal magnetic field relative to the axial field of the flux rope, and gamma. Through a study of this effective potential we classify all possible modes of evolution of the system. In the main body of the paper, we focus on magnetic flux ropes whose field and gas pressure increase steadily towards the symmetry axis. In this case, for gamma greater than 1 and all values of kappa, only oscillations are possible. For gamma less than 1, however, both oscillations and expansion are allowed. For gamma less than 1 and kappa below a critical value, the energy of the nonlinear oscillator determines whether the flux rope will oscillate or expand to infinity. For gamma less than 1 and kappa above critical, however, only expansion occurs. Thus by increasing kappa while keeping gamma fixed (less than 1), a phase transition occurs at kappa = kappa(sub critical) and the oscillatory mode disappears. We illustrate the above theoretical considerations by the example of a flux rope of constant field line twist evolving self-similarly. For this example, we present the full numerical MHD solution. In an appendix to the paper we catalogue all possible evolutions when (1) either the magnetic field or (2) the gas pressure decreases monotonically toward the axis. We find that in these cases critical conditions can occur for gamma greater than 1. While in most cases the flux rope collapses, there are notable exceptions when, for certain ranges of kappa and gamma, collapse may be averted.

Osherovich, V. A.↗

Potential of VIIRS Time Series Data for Aiding the USDA Forest Service Early Warning System for Forest Health Threats: A Gypsy Moth Defoliation Case Study

This report details one of three experiments performed during FY 2007 for the NASA RPC (Rapid Prototyping Capability) at Stennis Space Center. This RPC experiment assesses the potential of VIIRS (Visible/Infrared Imager/Radiometer Suite) and MODIS (Moderate Resolution Imaging Spectroradiometer) data for detecting and monitoring forest defoliation from the non-native Eurasian gypsy moth (Lymantria dispar). The intent of the RPC experiment was to assess the degree to which VIIRS data can provide forest disturbance monitoring information as an input to a forest threat EWS (Early Warning System) as compared to the level of information that can be obtained from MODIS data. The USDA Forest Service (USFS) plans to use MODIS products for generating broad-scaled, regional monitoring products as input to an EWS for forest health threat assessment. NASA SSC is helping the USFS to evaluate and integrate currently available satellite remote sensing technologies and data products for the EWS, including the use of MODIS products for regional monitoring of forest disturbance. Gypsy moth defoliation of the mid-Appalachian highland region was selected as a case study. Gypsy moth is one of eight major forest insect threats listed in the Healthy Forest Restoration Act (HFRA) of 2003; the gypsy moth threatens eastern U.S. hardwood forests, which are also a concern highlighted in the HFRA of 2003. This region was selected for the project because extensive gypsy moth defoliation occurred there over multiple years during the MODIS operational period. This RPC experiment is relevant to several nationally important mapping applications, including agricultural efficiency, coastal management, ecological forecasting, disaster management, and carbon management. In this experiment, MODIS data and VIIRS data simulated from MODIS were assessed for their ability to contribute broad, regional geospatial information on gypsy moth defoliation. Landsat and ASTER (Advanced Spaceborne Thermal Emission and Reflection Radiometer) data were used to assess the quality of gypsy moth defoliation mapping products derived from MODIS data and from simulated VIIRS data. The project focused on use of data from MODIS Terra as opposed to MODIS Aqua mainly because only MODIS Terra data was collected during 2000 and 2001-years with comparatively high amounts of gypsy moth defoliation within the study area. The project assessed the quality of VIIRS data simulation products. Hyperion data was employed to assess the quality of MODIS-based VIIRS simulation datasets using image correlation analysis techniques. The ART (Application Research Toolbox) software was used for data simulation. Correlation analysis between MODIS-simulated VIIRS data and Hyperion-simulated VIIRS data for red, NIR (near-infrared), and NDVI (Normalized Difference Vegetation Index) image data products collectively indicate that useful, effective VIIRS simulations can be produced using Hyperion and MODIS data sources. The r(exp 2) for red, NIR, and NDVI products were 0.56, 0.63, and 0.62, respectively, indicating a moderately high correlation between the 2 data sources. Temporal decorrelation from different data acquisition times and image misregistration may have lowered correlation results. The RPC experiment also generated MODIS-based time series data products using the TSPT (Time Series Product Tool) software. Time series of simulated VIIRS NDVI products were produced at approximately 400-meter resolution GSD (Ground Sampling Distance) at nadir for comparison to MODIS NDVI products at either 250- or 500-meter GSD. The project also computed MODIS (MOD02) NDMI (Normalized Difference Moisture Index) products at 500-meter GSD for comparison to NDVI-based products. For each year during 2000-2006, MODIS and VIIRS (simulated from MOD02) time series were computed during the peak gypsy moth defoliation time frame in the study area (approximately June 10 through July 27). Gypsy moth defoliation mapping products from simated VIIRS and MOD02 time series were produced using multiple methods, including image classification and change detection via image differencing. The latter enabled an automated defoliation detection product computed using percent change in maximum NDVI for a peak defoliation period during 2001 compared to maximum NDVI across the entire 2000-2006 time frame. Final gypsy moth defoliation mapping products were assessed for accuracy using randomly sampled locations found on available geospatial reference data (Landsat and ASTER data in conjunction with defoliation map data from the USFS). Extensive gypsy moth defoliation patches were evident on screen displays of multitemporal color composites derived from MODIS data and from simulated VIIRS vegetation index data. Such defoliation was particularly evident for 2001, although widespread denuded forests were also seen for 2000 and 2003. These visualizations were validated using aforementioned reference data. Defoliation patches were visible on displays of MODIS-based NDVI and NDMI data. The viewing of apparent defoliation patches on all of these products necessitated adoption of a specialized temporal data processing method (e.g., maximum NDVI during the peak defoliation time frame). The frequency of cloud cover necessitated this approach. Multitemporal simulated VIIRS and MODIS Terra data both produced effective general classifications of defoliated forest versus other land cover. For 2001, the MOD02-simulated VIIRS 400-meter NDVI classification produced a similar yet slightly lower overall accuracy (87.28 percent with 0.72 Kappa) than the MOD02 250-meter NDVI classification (88.44 percent with 0.75 Kappa). The MOD13 250-meter NDVI classification had a lower overall accuracy (79.13 percent) and a much lower Kappa (0.46). The report discusses accuracy assessment results in much more detail, comparing overall classification and individual class accuracy statistics for simulated VIIRS 400-meter NDVI, MOD02 250-meter NDVI, MOD02-500 meter NDVI, MOD13 250-meter NDVI, and MOD02 500-meter NDMI classifications. Automated defoliation detection products from simulated VIIRS and MOD02 data for 2001 also yielded similar, relatively high overall classification accuracy (85.55 percent for the VIIRS 400-meter NDVI versus 87.28 percent for the MOD02 250-meter NDVI). In contrast, the USFS aerial sketch map of gypsy moth defoliation showed a lower overall classification accuracy at 73.64 percent. The overall classification Kappa values were also similar for the VIIRS (approximately 0.67 Kappa) versus the MOD02 (approximately 0.72 Kappa) automated defoliation detection product, which were much higher than the values exhibited by the USFS sketch map product (overall Kappa of approximately 0.47). The report provides additional details on the accuracy of automated gypsy moth defoliation detection products compared with USFS sketch maps. The results suggest that VIIRS data can be effectively simulated from MODIS data and that VIIRS data will produce gypsy moth defoliation mapping products that are similar to MODIS-based products. The results of the RPC experiment indicate that VIIRS and MODIS data products have good potential for integration into the forest threat EWS. The accuracy assessment was performed only for 2001 because of time constraints and a relative scarcity of cloud-free Landsat and ASTER data for the peak defoliation period of the other years in the 2000-2006 time series. Additional work should be performed to assess the accuracy of gypsy moth defoliation detection products for additional years.The study area (mid-Appalachian highlands) and application (gypsy moth forest defoliation) are not necessarily representative of all forested regions and of all forest threat disturbance agents. Additional work should be performed on other inland and coastal regions as well as for other major forest threats.

Spruce, Joseph P.↗

An Attempt to Derive the epsilon Equation from a Two-Point Closure

The goal of this paper is to derive the equation for the turbulence dissipation rate epsilon for a shear-driven flow. In 1961, Davydov used a one-point closure model to derive the epsilon equation from first principles but the final result contained undetermined terms and thus lacked predictive power. Both in 1987 and in 2001, attempts were made to derive the epsilon equation from first principles using a two-point closure, but their methods relied on a phenomenological assumption. The standard practice has thus been to employ a heuristic form of the equation that contains three empirical ingredients: two constants, c(sub 1 epsilon), and c(sub 2 epsilon), and a diffusion term D(sub epsilon) In this work, a two-point closure is employed, yielding the following results: 1) the empirical constants get replaced by c(sub 1), c(sub 2), which are now functions of Kappa and epsilon; 2) c(sub 1) and c(sub 2) are not independent because a general relation between the two that are valid for any Kappa and epsilon are derived; 3) c(sub 1), c(sub 2) become constant with values close to the empirical values c(sub 1 epsilon), c(sub epsilon 2), (i.e., homogenous flows); and 4) the empirical form of the diffusion term D(sub epsilon) is no longer needed because it gets substituted by the Kappa-epsilon dependence of c(sub 1), c(sub 2), which plays the role of the diffusion, together with the diffusion of the turbulent kinetic energy D(sub Kappa), which now enters the new equation (i.e., inhomogeneous flows). Thus, the three empirical ingredients c(sub 1 epsilon), c(sub epsilon 2), D (sub epsilon)are replaced by a single function c(sub 1)(Kappa, epsilon ) or c(sub 2)(Kappa, epsilon ), plus a D(sub Kappa)term. Three tests of the new equation for epsilon are presented: one concerning channel flow and two concerning the shear-driven planetary boundary layer (PBL).

Canuto, V. M.↗

Updated Godiva-IV Benchmark Preview

A note of errata prepended to the Godiva-IV delayed-critical benchmark (HEU-MET-FAST- 086) identifies two corrections to be made to the model: The glory hole in the spindle should be made larger, and the height of the safety block should be made smaller (and therefore its density made larger). In addition, the safety block at its full-in position is closer to the inner subassembly plate than was modeled in the benchmark. These changes have been made to HEU-MET-FAST-086 Case 4 in order to estimate the effect on $\kappa$ eff and on the neutron flux spectrum. Using smaller separation, a smaller safety block, and a larger glory hole caused keff to increase by 453 ± 1 pcm from the benchmark. The latest nuclear data, ENDF/B-VIII.0, have also been used, causing $\kappa$ eff to increase another 37 ± 1 pcm. Flux spectra were compared in a modeled fission foil (near the center of Godiva-IV in the glory hole) and at three external (point) detectors. Within the fission foil, using ENDF/B-VIII.0 induced changes in the flux spectrum similar in size to the changes due to using smaller separation, a smaller safety block, and a larger glory hole. At the detectors, using ENDF/B- VIII.0 induced changes in the flux spectrum much larger than those due to changing the model. In other words, the corrections to the benchmark model cause a large increase in $\kappa$ eff , but the changes to the neutron flux spectrum are small compared to those caused by using the latest nuclear data. This study presents a preview of results expected during the reevaluation of the Godiva IV benchmark, but it is not a substitute for the full reevaluation.A note of errata prepended to the Godiva-IV delayed-critical benchmark (HEU-MET-FAST- 086) identifies two corrections to be made to the model: The glory hole in the spindle should be made larger, and the height of the safety block should be made smaller (and therefore its density made larger). In addition, the safety block at its full-in position is closer to the inner subassembly plate than was modeled in the benchmark. These changes have been made to HEU-MET-FAST-086 Case 4 in order to estimate the effect on $\kappa$ eff and on the neutron flux spectrum. Using smaller separation, a smaller safety block, and a larger glory hole caused $\kappa$ eff to increase by 453 ± 1 pcm from the benchmark. The latest nuclear data, ENDF/B-VIII.0, have also been used, causing $\kappa$ eff to increase another 37 ± 1 pcm. Flux spectra were compared in a modeled fission foil (near the center of Godiva-IV in the glory hole) and at three external (point) detectors. Within the fission foil, using ENDF/B-VIII.0 induced changes in the flux spectrum similar in size to the changes due to using smaller separation, a smaller safety block, and a larger glory hole. At the detectors, using ENDF/B- VIII.0 induced changes in the flux spectrum much larger than those due to changing the model. In other words, the corrections to the benchmark model cause a large increase in $\kappa$ eff , but the changes to the neutron flux spectrum are small compared to those caused by using the latest nuclear data. This study presents a preview of results expected during the reevaluation of the Godiva IV benchmark, but it is not a substitute for the full reevaluation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Search for the nonresonant production of Higgs boson pairs via gluon fusion and vector-boson fusion in the $b\bar{b}$τ + τ – final state in proton-proton collisions at $\sqrt{s}$ = 13 TeV with the ATLAS detector

A search for the nonresonant production of Higgs boson pairs in the HH → $b\overline{b}$$\tau^{+}\tau^{-}$ channel is performed using 140 fb -1 of proton-proton collisions at a center-of-mass energy of 13 TeV recorded by the ATLAS detector at the CERN Large Hadron Collider. The analysis strategy is optimized to probe anomalous values of the Higgs boson self-coupling modifier $\kappa_{\tau}$ and of the quartic HHVV (v = W,Z) coupling modifier $\kappa$ 2⁢V . No significant excess above the expected background from Standard Model processes is observed. An observed (expected) upper limit μ HH < 5.9⁢(3.3) is set at 95% confidence-level on the Higgs boson pair production cross section normalized to its Standard Model prediction. The coupling modifiers are constrained to an observed (expected) 95% confidence interval of -3.1 <$\kappa_{\tau}$ < 9.0 (-2.5 < $\kappa_{\tau}$ < 9.3) and -0.5 <$\kappa$ 2⁢V < 2.7 (-0.2 <$\kappa$ 2⁢V < 2.4), assuming all other Higgs boson couplings are fixed to the Standard Model prediction. The results are also interpreted in the context of effective field theories via constraints on anomalous Higgs boson couplings and Higgs boson pair production cross sections assuming different kinematic benchmark scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Small-scale structure in the diffuse interstellar medium

The initial results of a study to probe the small-scale structure in the diffuse interstellar medium (ISM) through IUE and optical observations of interstellar absorption lines toward both components of resolvable binary stars is reported. The binaries (Kappa CrA, 57 Aql, 59 And, HR 1609/10, 19 Lyn, and Theta Ser) observed with IUE have projected linear separations ranging from 5700 to 700 Au. Except for Kappa CrA, the strengths of the interstellar absorption lines toward both components of these binaries agree to within 10 percent. In the case of Kappa CrA, the optically thin interstellar Mg I and Mn II lines are about 50 percent stronger toward Kappa-2 CrA than Kappa-1 CrA. Higher resolution observations of interstellar Ca II show that this difference is concentrated in the main interstellar component at V(LSR) = 9 + or - 2 km/s. Interestingly, this velocity corresponds to an intervening cloud that may be associated with the prominent Loop I shell in the local ISM. Given the separation (23 arcsec) and distance (120 pc) of Kappa CrA, the line strength variations indicate that this cloud has structure on scales of 2800 AU or less.

Meyer, David M.↗

The gravitational lensing imprints of DES Y3 superstructures on the CMB: a matched filtering approach

Low-density cosmic voids gravitationally lens the cosmic microwave background (CMB), leaving a negative imprint on the CMB convergence |$\kappa$|⁠. This effect provides insight into the distribution of matter within voids, and can also be used to study the growth of structure. We measure this lensing imprint by cross-correlating the Planck CMB lensing convergence map with voids identified in the Dark Energy Survey Year 3 (DES Y3) data set, covering approximately 4200 deg|$^2$| of the sky. We use two distinct void-finding algorithms: a 2D void-finder that operates on the projected galaxy density field in thin redshift shells, and a new code, Voxel, which operates on the full 3D map of galaxy positions. We employ an optimal matched filtering method for cross-correlation, using the Marenostrum Institut de Ciències de l’Espai N-body simulation both to establish the template for the matched filter and to calibrate detection significances. Using the DES Y3 photometric luminous red galaxy sample, we measure |$A_\kappa$|⁠, the amplitude of the observed lensing signal relative to the simulation template, obtaining |$A_\kappa = 1.03 \pm 0.22$| (⁠|$4.6\sigma$| significance) for Voxel and |$A_\kappa = 1.02 \pm 0.17$| (⁠|$5.9\sigma$| significance) for 2D voids, both consistent with Lambda cold dark matter expectations. We additionally invert the 2D void-finding process to identify superclusters in the projected density field, for which we measure |$A_\kappa = 0.87 \pm 0.15$| (⁠|$5.9\sigma$| significance). The leading source of noise in our measurements is Planck noise, implying that data from the Atacama Cosmology Telescope, South Pole Telescope and CMB-S4 will increase sensitivity and allow for more precise measurements.

79 ASTRONOMY AND ASTROPHYSICS↗

Cloud Condensation Nuclei Hygroscopicity Value-Added Product Report

The purpose of the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility’s Cloud Condensation Nuclei Hygroscopicity Parameter (AOSCCNSMPSKAPPA and AOSCCNUHSASKAPPA) Value-Added Product (VAP) is to calculate the hygroscopicity parameter, kappa, to quantify the ability of aerosols to activate into cloud water droplets. The hygroscopicity parameter is often used to model the cloud condensation nuclei (CCN) activity of atmospheric aerosols of different sizes and compositions, providing additional insight on the influence of aerosols on climate. The AOSCCNUHSASKAPPA VAP was recently developed to provides kappa data for ARM sites where AOSCCNSMPSKAPPA was missing. Laboratory experiments show that the kappa values for highly hygroscopic aerosols vary from 0.5 to 1.4 (Petters and Kreidenweis 2007). For organic compounds they are observed to vary between 0.01 and 0.5. For non-hygroscopic aerosols, such as soot, kappa values are very close to zero. Ambient aerosols are complex mixtures of organic and inorganic compounds and previous observations indicate that kappa values for these aerosols typically vary from 0.05 to 0.9 (Petters and Kreidenweis 2007).

54 ENVIRONMENTAL SCIENCES↗

Numerical solution of turbulent flow past a backward facing step using a nonlinear K-epsilon model

The problem of turbulent flow past a backward facing step is important in many technological applications and has been used as a standard test case to evaluate the performance of turbulence models in the prediction of separated flows. It is well known that the commonly used kappa-epsilon (and K-l) models of turbulence yield inaccurate predictions for the reattachment points in this problem. By an analysis of the mean vorticity transport equation, it will be argued that the intrinsically inaccurate prediction of normal Reynolds stress differences by the Kappa-epsilon and K-l models is a major contributor to this problem. Computations using a new nonlinear kappa-epsilon model (which alleviates this deficiency) are made with the TEACH program. Comparisons are made between the improved results predicted by this nonlinear kappa-epsilon model and those obtained from the linear kappa-epsilon model as well as from second-order closure models.

Speziale, C. G.↗

Numerical solution of turbulent flow past a backward facing step using a nonlinear K-epsilon model

The problem of turbulent flow past a backward facing step is important in many technological applications and has been used as a standard test case to evaluate the performance of turbulence models in the prediction of separated flows. It is well known that the commonly used kappa-epsilon (and K-l) models of turbulence yield inaccurate predictions for the reattachment points in this problem. By an analysis of the mean vorticity transport equation, it will be argued that the intrinsically inaccurate prediction of normal Reynolds stress differences by the kappa-epsilon and K-l models is a major contributor to this problem. Computations using a new nonlinear Kappa-epsilon model (which alleviates this deficiency) are made with the TEACH program. Comparisons are made between the improved results predicted by this nonlinear kappa-epsilon model and those obtained from the linear kappa-epsilon model as well as from second-order closure models.

Speziale, C. G.↗

The modified plasma dispersion function

The modified plasma dispersion function (MPDF), based on the generalized Lorentzian (kappa) particle distribution function, is introduced, and a comprehensive set of graphs of the real and imaginary parts of the MPDF is presented. For any positive integral value of kappa, MPDF is calculated in closed form as a finite series. It is demonstrated how the MPDF approaches the plasma dispersion function in the limit as kappa yields infinity, a result to be expected since the kappa distribution function formally approaches the Maxwellian as kappa yields infinity. It is concluded that the MPDF can provide a tool in studying microinstabilities in plasmas when the particle distribution function is not only the standard generalized Lorentzian, but also of the Lorentzian type, including the loss-cone, bi-Lorentzian, and product bi-Lorentzian distributions.

Summers, Danny↗

Regional and seasonal estimates of fractional storm coverage based on station precipitation observations

Simulated climates using numerical atmospheric general circulation models (GCMs) have been shown to be highly sensitive to the fraction of GCM grid area assumed to be wetted during rain events. The model hydrologic cycle and land-surface water and energy balance are influenced by the parameter bar-kappa, which is the dimensionless fractional wetted area for GCM grids. Hourly precipitation records for over 1700 precipitation stations within the contiguous United States are used to obtain observation-based estimates of fractional wetting that exhibit regional and seasonal variations. The spatial parameter bar-kappa is estimated from the temporal raingauge data using conditional probability relations. Monthly bar-kappa values are estimated for rectangular grid areas over the contiguous United States as defined by the Goddard Institute for Space Studies 4 deg x 5 deg GCM. A bias in the estimates is evident due to the unavoidably sparse raingauge network density, which causes some storms to go undetected by the network. This bias is corrected by deriving the probability of a storm escaping detection by the network. A Monte Carlo simulation study is also conducted that consists of synthetically generated storm arrivals over an artificial grid area. It is used to confirm the bar-kappa estimation procedure and to test the nature of the bias and its correction. These monthly fractional wetting estimates, based on the analysis of station precipitation data, provide an observational basis for assigning the influential parameter bar-kappa in GCM land-surface hydrology parameterizations.

Gong, Gavin↗

Hybrid simulations of thin current sheets

A one-dimensional, hybrid simulation code is used to study current sheets with a nonzero normal magnetic field B(sub z) and a dawn-to-dusk electric field E(sub y). Such configurations are dependent upon only two parameters: we use the normalized normal magnetic field B-normalized (sub z) = B(sub z)/(4(pi)(n(sub b)) (v(exp 2 sub T))(exp 1/2) and normalized electric field V-normalized (sub D) = (1/V(sub T)(cE(sub y)/B(sub z)), where V(sub T) is the thermal velocity of ions prior to their interaction with the current sheet and n(sub b) is the number density outside the current sheet (at the simulation boundary). A third parameter that is relevant to the motion of particles in current sheets is kappa(sub A), the value of kappa = (R(sub min)/rho(sub max))(exp 1/2) for particles of average energy. We find that if either B-normalized (sub z) is close to or greater than 1, or if kappa(sub A) is close to 1, a rotational mode develops in which the z = 0 current rotates with the ion sense about the normal magnetic field, while for small values of both B-normalized (sub z) or kappa(sub A), the configuration is quasi-steady. To achieve values of kappa(sub A) of the order of or larger than 1, we decrease the value of V-normalized (sub D) uniformly. We find that the magnetic field fluctuations and particle distribution functions are similar in many respects to what was observed in the day 240, 1986, Active Magnetospheric Particle Tracer Explorer (AMPTE)/CCE current disruption event, an event that appears to be located at the site of initiation of current disruption and related particle energization.

Burkhart, G. R.↗

Antigen‐binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones

It has been shown previously that a set of three modifications—termed S1, Crystal Kappa, and elbow—act synergistically to improve the crystallizability of an antigen-binding fragment (Fab) framework. Here, we prepared a phage-displayed library and performed crystallization screenings to identify additional substitutions—located near the heavy-chain elbow region—which cooperate with the S1, Crystal Kappa, and elbow modifications to increase expression and improve crystallizability of the Fab framework even further. One substitution (K141Q) supports the signature Crystal Kappa-mediated Fab:Fab crystal lattice packing interaction. Another substitution (E172G) improves the compatibility of the elbow modification with the Fab framework by alleviating some of the strain incurred by the shortened and bulkier elbow linker region. A third substitution (F170W) generates a split-Fab conformation, resulting in a powerful crystal lattice packing interaction comprising the biological interaction interface between the variable heavy and light chain domains. In sum, we have used K141Q, E172G, and F170W substitutions—which complement the S1, Crystal Kappa, and elbow modifications—to generate a set of highly crystallizable Fab frameworks that can be used as chaperones to enable facile elucidation of Fab:antigen complex structures by x-ray crystallography.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cloud Condensation Nuclei Hygroscopicity Value-Added Product Report

The purpose of the Atmospheric Radiation Measurement (ARM) user facility’s cloud condensation nuclei hygroscopicity parameter (AOSCCNSMPSKAPPA) value-added product (VAP) is to calculate the hygroscopicity parameter, kappa, to quantify the ability of aerosols to activate into cloud water droplets. The hygroscopicity parameter is often used to model the cloud condensation nuclei (CCN) activity of atmospheric aerosols of different sizes and compositions, providing additional insight on the influence of aerosols on climate. Laboratory experiments show that the kappa values for highly hygroscopic aerosols, such as salts and sulfates, vary from 0.5 to 1.4 (Petters and Kreidenweis 2007). For organic compounds they are observed to vary between 0.01 and 0.5. For non-hygroscopic aerosols, such as soot, kappa values are very close to zero. Ambient aerosols are complex mixtures of organic and inorganic compounds and previous observations indicate that kappa values typically vary from 0.05 to 0.9 (Petters and Kreidenweis 2007).

54 ENVIRONMENTAL SCIENCES↗