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At least 1,621 records · Page 90

Study of multiple optical transitions in 87Rb using laser diodes

Recent work with laser diodes has indicated their potential usefulness in optically pumping atomic frequency standards. Various optical pumping schemes for (87)Rb incorporating such light sources at two D1 frequencies for experimental situations of either evacuated wall-coated cells or atomic beams are considered. Numerical integration of rate equations governing the level populations with arbitrary pumping light choices of intensity, D1 hyperfine transition(s), and polarization and subsequent calculation of scattered light provide a simplified 0-0 hyperfine signal analysis. By frequency modulating one laser diode, two optical transitions were excited in an evacuated wall-coated cell and a large delta m(F) = 1 hf signal was observed.

Newton, C. L. J.↗

The Challenges of Measuring Methane from Space with a Lidar

The global and regional quantification of methane fluxes and identification of its sources and sinks has been highlighted as one of the goals of the NASA 2017 Earth Science Decadal Survey. Detecting methane from space and airborne platforms with an active (laser) remote sensing instrument presents several unique technology and measurement challenges. The instrument must have a single frequency, narrow-linewidth light source, and photon-sensitive detector at the right spectral region to make continuous measurements from orbit, day and night, all seasons and at all latitudes. It must have a high signal to noise ratio and must be relatively immune to biases from aerosol/cloud scattering, spectroscopic and meteorological data uncertainties, and instrument systematic errors. At Goddard Space Flight Center (GSFC), in collaboration with industry, we have developed an airborne instrument to measure methane. Our instrument is a nadir-viewing lidar that uses Integrated Path Differential Absorption (IPDA), to measure methane near 1.65 µm. We sample the absorption line using multiple wavelengths from a narrow linewidth laser source and a sensitive photodetector. This measurement approach provides maximum information content about the CH4 column, and minimizes biases in the XCH4 retrieval. In this paper, we will review our progress to date and discuss the technology challenges, options and tradeoffs to measure methane from space and airborne platforms.

airborne instruments↗

Observation of solid-state bidirectional thermal conductivity switching in antiferroelectric lead zirconate (PbZrO 3 )

Materials with tunable thermal properties enable on-demand control of temperature and heat flow, which is an integral component in the development of solid-state refrigeration, energy scavenging, and thermal circuits. Although gap-based and liquid-based thermal switches that work on the basis of mechanical movements have been an effective approach to control the flow of heat in the devices, their complex mechanisms impose considerable costs in latency, expense, and power consumption. As a consequence, materials that have multiple solid-state phases with distinct thermal properties are appealing for thermal management due to their simplicity, fast switching, and compactness. Thus, an ideal thermal switch should operate near or above room temperature, have a simple trigger mechanism, and offer a quick and large on/off switching ratio. In this study, we experimentally demonstrate that manipulating phonon scattering rates can switch the thermal conductivity of antiferroelectric PbZrO 3 bidirectionally by –10% and +25% upon applying electrical and thermal excitation, respectively. Our approach takes advantage of two separate phase transformations in PbZrO 3 that alter the phonon scattering rate in different manners. In this study, we demonstrate that PbZrO 3 can serve as a fast (<1 second), repeatable, simple trigger, and reliable thermal switch with a net switching ratio of nearly 38% from ~1.20 to ~1.65 W m –1 K –1 .

25 ENERGY STORAGE↗

Characteristics and effects of aerosols during blowing snow events in the central Arctic

Sea salt aerosol (SSaer) significantly impacts aerosol-radiation and aerosol-cloud interactions, and sublimated blowing snow is hypothesized to be an important SSaer source in polar regions. Understanding blowing snow and other wind-sourced aerosols’ climate relevant properties is needed, especially during winter when Arctic amplification is greatest. However, most of our understanding of blowing snow SSaer comes from modeling studies, and direct observations are sparse. Additionally, SSaer can originate from multiple sources, making it difficult to disentangle emission processes. Here, we present comprehensive observations of wind-sourced aerosol during blowing snow events from the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition in the central Arctic. High wind speed strongly enhances total aerosol number, submicron sodium chloride mass, cloud condensation nuclei concentrations, and scattering coefficients. Generally, the relative response of aerosol properties to wind speed enhancement is strongest in fall when Arctic aerosol concentrations are lowest. Blowing snow events showed similar aerosol and environmental properties across events, apart from occasions with high snow age (>6 days since last snowfall). Coarse-mode number concentrations (>1 μm) are better explained by variability in wind speed averaged over 12-h air mass back trajectories arriving at the MOSAiC site compared to local, instantaneous wind speed, suggesting the importance of regional transport and consideration of air mass history for wind-driven aerosol production. These MOSAiC observations provide new insights into wind-driven aerosol in the central Arctic and may help validate modeling studies and improve model parameterizations particularly for aerosol direct and indirect radiative forcing.

54 ENVIRONMENTAL SCIENCES↗

Surface Roughness-Induced Spectral Degradation of Multi-Spaceborne Solar Diffusers Due to Space Radiation Exposure

Solar diffusers (SDs) have often been used as the onboard calibrators for the radiometric calibration of reflective solar band imaging sensors. After being spaceborne, the reflectance of SDs is observed to degrade with spectral dependence due to exposure to solar UV and energetic particle radiation. Long-term spectral reflectance data of SDs onboard multiple LEO imaging sensors, such as the Moderate Resolution Imaging Spectroradiometer (MODIS) on Terra and Aqua and the Visible Infrared Imaging Radiometer Suite (VIIRS) on SNPP, are analyzed. The reflectance of SDs on these three instruments degrades faster for the shorter wavelength (0.4-0.6 μm) bands than the longer wavelength bands. The Surface Roughness-induced Rayleigh Scattering (SRRS) model is applied to simulate the SD degradation on these instruments, and the growth of the surface roughness parameter of the SDs is derived. It is determined that the change of surface roughness scale length is ~tens of nanometers. To show the consistency of roughness growth rates among the SDs on Terra/Aqua MODIS and SNPP VIIRS instruments, the functional dependences of the growth rates are characterized according to the SD exposure time and the stage of surface roughness. It is also found that the flattening or reverse in the growth trend of the surface roughness for these three SDs occurred around the same interval between October 2013 and October 2015. The confirmation of the applicability of SRRS model with the long-term spectral reflectance data from three independent spaceborne SDs facilitates a better understanding of the origin and physical processes of the SD degradation.

Visible Infrared Imaging Radiometer Suite (VIIRS)↗

Extended range X-ray pair distribution functions

Here we describe a dual detector system for high-energy X-ray, simultaneous, small and wide-angle X-ray scattering (SAXS and WAXS), designed to extract extended-range pair distribution functions (ER-PDF) for disordered materials. The hardware and software provides continuous reciprocal space coverage over atomic to nanometer length-scales. Details of the varying resolution, splicing of data and normalization on an absolute scale are outlined. In addition, the combination of SAXS and WAXS theory is considered with a view to enabling a direct Fourier transformation of the structure factor spanning multiple length-scales into real space. Important distinctions between the ER-PDF and the pair distance distribution function (PDDF) representations are demonstrated. It is shown that when the SAXS intensity in the structure factor, S(Q), is similar to the WAXS intensity, the contributions to the ER-PDF are minimal. However, when the SAXS S(Q) intensities are substantially stronger than the WAXS, the ER-PDF can provide important structural information on the local, intermediate and nanometer length-scales. Notably, the ER-PDF method provides direct information on particle sizes and their density distributions, overcoming the limitations of PDDF analysis for densely packed systems.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Quantum simulations of hadron dynamics in the Schwinger model using 112 qubits

Hadron wave packets are prepared and time evolved in the Schwinger model using 112 qubits of IBM’s 133-qubit Heron quantum computer ibm_torino. The initialization of the hadron wave packet is performed in two steps. First, the vacuum is prepared across the whole lattice using the recently developed SC-ADAPT-VQE algorithm and workflow. SC-ADAPT-VQE is then extended to the preparation of localized states, and used to establish a hadron wave packet on top of the vacuum. This is done by adaptively constructing low-depth circuits that maximize the overlap with an adiabatically prepared hadron wave packet. Due to the localized nature of the wavepacket, these circuits can be determined on a sequence of small lattices using classical computers, and then robustly scaled to prepare wave packets on large lattices for simulations using quantum computers. Time evolution is implemented with a second-order Trotterization. To reduce both the required qubit connectivity and circuit depth, an approximate quasilocal interaction is introduced. This approximation is made possible by the emergence of confinement at long distances, and converges exponentially with increasing distance of the interactions. Using multiple error-mitigation strategies, up to 14 Trotter steps of time evolution are performed, employing 13,858 two-qubit gates (with a CNOT depth of 370). The propagation of hadrons is clearly identified, with results that compare favorably with Matrix Product State simulations. Finally, prospects for a near-term quantum advantage in simulations of hadron scattering are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Into the UV: A Precise Transmission Spectrum of HAT-P-41b Using Hubble’s WFC3/UVIS G280 Grism

The ultraviolet–visible wavelength range holds critical spectral diagnostics for the chemistry and physics at work in planetary atmospheres. To date, time-series studies of exoplanets to characterize their atmospheres have relied on several combinations of modes on the Hubble Space Telescope’s STIS/COS instruments to access this wavelength regime. Here for the first time, we apply the Hubble WFC3/UVIS G280 grism mode to obtain exoplanet spectroscopy from 200 to 800 nm in a single observation. We test the G280 grism mode on the hot Jupiter HAT-P-41b over two consecutive transits to determine its viability for the characterization of exoplanet atmospheres. We obtain a broadband transit depth precision of 29–33 ppm and a precision of on average 200 ppm in 10 nm spectroscopic bins. Spectral information from the G280 grism can be extracted from both the positive and negative first-order spectra, resulting in a 60% increase in the measurable flux. Additionally, the first Hubble Space Telescope orbit can be fully utilized in the time-series analysis. We present detailed extraction and reduction methods for use by future investigations with this mode, testing multiple techniques. We find the results to be fully consistent with STIS measurements of HAT-P-41b from 310 to 800 nm, with the G280 results representing a more observationally efficient and precise spectrum. HAT-P-41b’s transmission spectrum is best fit with a model with T {sub eq} = 2091 K, high metallicity, and significant scattering and cloud opacity. With these first-of-their-kind observations, we demonstrate that WFC3/UVIS G280 is a powerful new tool to obtain UV–optical spectra of exoplanet atmospheres, adding to the UV legacy of Hubble and complementing future observations with the James Webb Space Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗

Amplitude and phase-shaping effects in beamwaveguides

Results are presented of an investigation on improvements in a geometrical optics (GO) design of a beam-waveguide antenna for operation at multiple frequency bands. Improvements might be possible by changing the design of the lower-frequency input pattern to the beam waveguide. The effects of amplitude and phase shaping the input pattern have been studied with an aperture diffraction model. Accurate vector near-field computations were made rapidly with a spherical wave expansion of the input and scattered fields. Numerical results indicate that for aperture sizes of less than 30 wavelengths, there is insufficient control on defocusing due to amplitude and phase shaping. Design tradeoffs on spillover loss and defocusing are possible by changing the amplitude and phase distribution of the input wavefront for larger size apertures.

Rengarajan, Sembiam R.↗

Evaluation of semiempirical atmospheric density models for orbit determination applications

This paper presents the results of an investigation of the orbit determination performance of the Jacchia-Roberts (JR), mass spectrometer incoherent scatter 1986 (MSIS-86), and drag temperature model (DTM) atmospheric density models. Evaluation of the models was performed to assess the modeling of the total atmospheric density. This study was made generic by using six spacecraft and selecting time periods of study representative of all portions of the 11-year cycle. Performance of the models was measured for multiple spacecraft, representing a selection of orbit geometries from near-equatorial to polar inclinations and altitudes from 400 kilometers to 900 kilometers. The orbit geometries represent typical low earth-orbiting spacecraft supported by the Goddard Space Flight Center (GSFC) Flight Dynamics Division (FDD). The best available modeling and orbit determination techniques using the Goddard Trajectory Determination System (GTDS) were employed to minimize the effects of modeling errors. The latest geopotential model available during the analysis, the Goddard earth model-T3 (GEM-T3), was employed to minimize geopotential model error effects on the drag estimation. Improved-accuracy techniques identified for TOPEX/Poseidon orbit determination analysis were used to improve the Tracking and Data Relay Satellite System (TDRSS)-based orbit determination used for most of the spacecraft chosen for this analysis. This paper shows that during periods of relatively quiet solar flux and geomagnetic activity near the solar minimum, the choice of atmospheric density model used for orbit determination is relatively inconsequential. During typical solar flux conditions near the solar maximum, the differences between the JR, DTM, and MSIS-86 models begin to become apparent. Time periods of extreme solar activity, those in which the daily and 81-day mean solar flux are high and change rapidly, result in significant differences between the models. During periods of high geomagnetic activity, the standard JR model was outperformed by DTM. Modification of the JR model to use a geomagnetic heating delay of 3 hours, as used in DTM, instead of the 6.7-hour delay produced results comparable to or better than the DTM performance, reducing definitive orbit solution ephermeris overlap differences by 30 to 50 percent. The reduction in the overlap differences would be useful for mitigating the impact of geomagnetic storms on orbit prediction.

Cox, C. M.↗

A Sample of What We Have Learned from A-Train Cloud Measurements

The A-train active sensors CloudSat and CALIPSO provide detailed information about cloud vertical structure. Coarse vertical information can also be obtained from a combination of passive sensors (e.g. cloud liquid water content from AMSR-E, cloud ice properties from MLS and HIRDLS, cloud-top pressure from MODIS and AIRS, and UVNISINear IR absorption and scattering from OMI, MODIS, and POLDER). In addition, the wide swaths of instruments such as MODIS, AIRS, OMI, POLDER, and AMSR-E can be exploited to create estimates of the three-dimensional cloud extent. We will show how data fusion from A-train sensors can be used, e.g., to detect and map the presence of multiple layer/phase clouds. Ultimately, combined cloud information from Atrain instruments will allow for estimates of heating and radiative flux at the surface as well as UV/VIS/Near IR trace-gas absorption at the overpass time on a near-global daily basis. CloudSat has also dramatically improved our interpretation of visible and UV passive measurements in complex cloudy situations such as deep convection and multiple cloud layers. This has led to new approaches for unique and accurate constituent retrievals from A-train instruments. For example, ozone mixing ratios inside tropical deep convective clouds have recently been estimated using the Aura Ozone Monitoring Instrument (OMI). Field campaign data from TC4 provide additional information about the spatial variability and origin of trace-gases inside convective clouds. We will highlight some of the new applications of remote sensing in cloudy conditions that have been enabled by the synergy between the A-train active and passive sensors.

Joiner, Joanna↗

Quantitative Determination of Metal Ion Adsorption on Cellulose Nanocrystals Surfaces

Nanocellulose is a bio-based material that holds significant potential in the field of water purification. Of particular interest is their potential use as a key sorbent material for the removal of metal ions from solution. However, the structure of metal ions adsorbed onto cellulose surfaces is not well understood. The focus of this work is to determine quantitatively the three-dimensional distribution of metal ions of different valencies surrounding negatively charged carboxylate functionalized cellulose nanocrystals (CNCs) using anomalous small-angle X-ray scattering (ASAXS). These distributions can affect the water and ionic permeability in these materials. The data show that increasing the carboxylate density on the surface of the CNCs from 740 to 1100 mmol/kg changed the nature of the structure of the adsorbed ions from a monolayer into a multilayer structure. The monolayer was modeled as a Stern layer around the CNC nanoparticles, whereas the multilayer structure was modeled as a diffuse layer on top of the Stern layer around the nanoparticles. Within the Stern layer, the maximum ion density increases from 1680 to 4350 mmol of Rb + /(kg of CNC) with the increase in the carboxylate density on the surface of the nanoparticles. Additionally, the data show that CNCs can leverage multiple mechanisms, such as electrostatic attraction and the chaotropic effect, to adsorb ions of different valencies. By understanding the spatial organization of the adsorbed metal ions, the design of cellulose-based sorbents can be further optimized to improve the uptake capacity and selectivity in separation applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Systematic mapping of the conformational landscape and dynamism of soluble fibrinogen

Background: Fibrinogen is a soluble, multisubunit, and multidomain dimeric protein, which, upon its proteolytic cleavage by thrombin, is converted to insoluble fibrin, initiating polymerization that substantially contributes to clot growth. Fibrinogen contains numerous, transiently accessible “cryptic” epitopes for hemostatic and immunologic proteins, suggesting that fibrinogen exhibits conformational flexibility, which may play functional roles in its temporal and spatial interactions. Hitherto, there have been limited integrative approaches characterizing the solution structure and internal flexibility of fibrinogen. Methods: Here, utilizing a multipronged, biophysical approach involving 2 solution-based techniques, temperature-dependent hydrogen-deuterium exchange mass spectrometry and small angle X-ray scattering, corroborated by negative stain electron microscopy, we present a holistic, conformationally dynamic model of human fibrinogen in solution. Results: Our data reveal 4 major and distinct conformations of fibrinogen accommodated by a high degree of internal protein flexibility along its central scaffold. We propose that the fibrinogen structure in the solution consists of a complex, conformational landscape with multiple local minima. This is further supported by the location of numerous point mutations that are linked to dysfibrinogenemia and posttranslational modifications, residing near the identified fibrinogen flexions. Conclusion: Further, this work provides a molecular basis for the structural “dynamism” of fibrinogen that is expected to influence the broad swath of its functionally diverse macromolecular interactions and fine-tune the structural and mechanical properties of blood clots.

59 BASIC BIOLOGICAL SCIENCES↗

Quantum Molecular Charge-Transfer Model for Multistep Auger–Meitner Decay Cascade Dynamics

The fragmentation of molecular cations following inner-shell decay processes in molecules containing heavy elements underpins the X-ray damage effects observed in X-ray scattering measurements of biological and chemical materials, as well as in medical applications involving Auger electron-emitting radionuclides. Traditionally, these processes are modeled using simulations that describe the electronic structure at an atomic level, thereby omitting molecular bonding effects. This work addresses the gap by introducing a novel approach that couples Auger–Meitner decay to nuclear dynamics across multiple decay steps, by developing a decay spawning dynamics algorithm and applying it to potential energy surfaces characterized with ab initio molecular dynamics simulations. We showcase the approach on a model decay cascade following K-shell ionization of IBr and subsequent Kβ fluorescence decay. We examine two competing channels that undergo two decay steps, resulting in ion pairs with a total 3+ charge state. This approach provides a continuous description of the electron transfer dynamics occurring during the multistep decay cascade and molecular fragmentation, revealing the combined inner-shell decay and charge transfer time scale to be approximately 75 fs. In conclusion, our computed kinetic energies of ion fragments show good agreement with experimental data.

Ab initio molecular dynamics↗

Broadly cross-reactive human antibodies that inhibit genogroup I and II noroviruses

The rational development of norovirus vaccine candidates requires a deep understanding of the antigenic diversity and mechanisms of neutralization of the virus. Here, we isolate and characterize a panel of broadly cross-reactive naturally occurring human monoclonal IgMs, IgAs and IgGs reactive with human norovirus (HuNoV) genogroup I or II (GI or GII). We note three binding patterns and identify monoclonal antibodies (mAbs) that neutralize at least one GI or GII HuNoV strain when using a histo-blood group antigen (HBGA) blocking assay. The HBGA blocking assay and a virus neutralization assay using human intestinal enteroids reveal that the GII-specific mAb NORO-320, mediates HBGA blocking and neutralization of multiple GII genotypes. The Fab form of NORO-320 neutralizes GII.4 infection more potently than the mAb, however, does not block HBGA binding. The crystal structure of NORO-320 Fab in complex with GII.4 P-domain shows that the antibody recognizes a highly conserved region in the P-domain distant from the HBGA binding site. Dynamic light scattering analysis of GII.4 virus-like particles with mAb NORO-320 shows severe aggregation, suggesting neutralization is by steric hindrance caused by multivalent cross-linking. Aggregation was not observed with the Fab form of NORO-320, suggesting that this clone also has additional inhibitory features.

59 BASIC BIOLOGICAL SCIENCES↗

A Multi-Instrument Cloud Condensation Nuclei Spectrum Product (Final Technical Report)

A wealth of observational data exists on the characteristics of atmospheric particulate matter, over multiple years, at the DOE ARM Southern Great Plains (SGP) Central Facility site. This site is located in a region of the country that frequently experiences weather extremes, and that is removed from many local sources of pollution but is affected by transported smoke, dust, and urban emissions. The relationships between particulate matter, cloud formation and evolution, and precipitation are therefore of strong interest, and are being explored via modeling on a variety of scales. These models require as input detailed information on the characteristics of particles capable of serving as the nuclei for cloud formation. Sufficient data exist to be able to put together a picture of the nature of the total aerosol and the cloud condensation nuclei (CCN) subset, and their variability, through merged data products. This study was aimed at exploiting the multiple measurement types at SGP to develop the first such multi-year estimates. Further, the resulting data were analyzed to understand temporal patterns ranging from hourly to seasonal, thereby gaining insights into the particle sources affecting the atmosphere in this region. DOE-funded datasets that were analyzed in this study include total particle number concentrations, submicron aerosol scattering coefficients, dry aerosol size distributions, and more recently, time-resolved submicron aerosol chemical composition. Data are also available for the number concentrations of particles that are activated in a cloud condensation nucleus instrument at a series of setpoint supersaturations, providing direct observations of the number concentrations of “CCN”. This variable is the quantity that is generally desired for inclusion in numerical models that seek to represent and predict the impacts of varying aerosol characteristics on the formation and microphysical properties of clouds. One limitation of the use of direct CCN observations is that they are not available for supersaturations larger than about 1%, which is insufficient for deep convection and may be insufficient even for shallow convection, depending on the nature of the available CCN and the dynamics of the cloud. We developed a data-based approach to representing the full aerosol size spectrum with size-dependent hygroscopicity, and used this to extrapolate CCN spectra beyond the limited measurements. Five years of SGP aerosol data (2009 -2013) were analyzed. As a side product of our work, we identified and communicated several previously-unflagged data quality issues. The resulting merged aerosol distributions, along with fits for seasonal averages, were published and submitted to the ARM archive as a special value-added product (VAP; submitted as a PI product). CCN spectra were computed for the same data period and will similarly be published and submitted to the archive for use by the community. We also note that our methodologies and findings have been discussed at several Joint ARM User Facility/Atmospheric System Research (ASR) Principal Investigators Meetings and that recent ARM/ASR aerosol data reporting strategies have included similar ideas for data merging, indicating that this work has had a lasting impact on ARM aerosol data acquisition and reporting. The proposed work advances the science of the interactions of aerosols, clouds and precipitation, with direct application to improve representation of such interactions for clouds in regional and global climate models. The archived data will continue to serve research studies in the future.

54 ENVIRONMENTAL SCIENCES↗

Metal Side Reflectors for Trapping Light in QWIPs

Focal-plane arrays of quantum-well infrared photodetectors (QWIPs) equipped with both light-coupling diffraction gratings and metal side reflectors have been proposed, and prototypes are expected to be fabricated soon. The purpose served by the metal side reflectors is to increase quantum efficiency by helping to trap light in the photosensitive material of each pixel. The reasons for using diffraction gratings were discussed in several prior NASA Tech Briefs articles. To recapitulate: In an array of QWIPs, the quantum-well layers are typically oriented parallel to the focal plane and therefore perpendicular or nearly perpendicular to the direction of incidence of infrared light. By virtue of the applicable quantum selection rules, light polarized parallel to the focal plane (as normally incident light is) cannot excite charge carriers and, hence, cannot be detected. Diffraction gratings scatter normally or nearly normally incident light into directions more nearly parallel to the focal plane, so that a significant portion of the light attains a component of polarization normal to the focal plane and, hence, can excite charge carriers. Unfortunately, light scattered in directions parallel or nearly parallel to the focal plane can escape sideways from the QWIP of a given pixel, as illustrated in Figure 1. The escaped light has made only a single pass through the interior photosensitive volume of the QWIP. The quantum efficiency of the QWIP would be increased by trapping light so that it makes multiple passes through the photosensitive volume. As shown in Figure 2, the sides of the QWIP of each pixel would be coated with gold to reflect escaping light back into the interior.

Gunapala, Sarath↗