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At least 1,441 records · Page 80

Processes controlling helium bubble dynamics at varying temperatures in simulated radioactive materials

Alpha-radiation damage is known to degrade materials exposed to harsh radiation environments via swelling and embrittlement by nano-scale helium bubbles. How these bubbles grow under varying temperature is essential to understanding and predicting material failure and optimization. Using in situ X-ray scattering, we probed ≈1012 bubbles before, during and after annealing at different temperatures in He-implanted aluminum to reveal a critical growth activation temperature that depends strongly on the helium implantation conditions. An analysis of the data aided by our molecular dynamics simulations identifies multiple temperature-dependent bubble growth mechanisms above and below the critical growth activation temperature. Moreover, the irreversible bubble growth that occurs after annealing for ≈4 h was evaluated using dislocation dynamics and found to negligibly affect the yield strength but may affect subsequent bubble growth at temperature. These in situ results provide valuable insight into bubble growth never observed before and reveal, for the first time, bubble shrinkage after cooling.

36 MATERIALS SCIENCE↗

Generation of multiple obstruction-free channels for free space optical communication

Multi-filament structures produced by vortical high-power femtosecond pulses propagating through clouds and fog can simultaneously clear two channels with cylindrical and annular profile. We present a method to achieve Free Space Optical (FSO) communications through such highly scattering media by propagating appropriately shaped laser modes through these channels. As a proof of concept, we implemented a Laguerre-Gaussian beam as information signal carrier to demonstrate transmission of 543-nm CW laser beam through a 1-m long cloud chamber using both channels. The low power of the information signal in this experiment allows considering applications in Earth–satellite FSO communication.

42 ENGINEERING↗

Modular repeat protein sculpting using rigid helical junctions

The ability to precisely design large proteins with diverse shapes would enable applications ranging from the design of protein binders that wrap around their target to the positioning of multiple functional sites in specified orientations. We describe a protein backbone design method for generating a wide range of rigid fusions between helix-containing proteins and use it to design 75,000 structurally unique junctions between monomeric and homo-oligomeric de novo designed and ankyrin repeat proteins (RPs). Of the junction designs that were experimentally characterized, 82% have circular dichroism and solution small-angle X-ray scattering profiles consistent with the design models and are stable at 95 °C. Crystal structures of four designed junctions were in close agreement with the design models with rmsds ranging from 0.9 to 1.6 Å. Electron microscopic images of extended tetrameric structures and ~10-nm-diameter “L” and “V” shapes generated using the junctions are close to the design models, demonstrating the control the rigid junctions provide for protein shape sculpting over multiple nanometer length scales.

59 BASIC BIOLOGICAL SCIENCES↗

Human XPG nuclease structure, assembly, and activities with insights for neurodegeneration and cancer from pathogenic mutations

Xeroderma pigmentosum group G (XPG) protein is both a functional partner in multiple DNA damage responses (DDR) and a pathway coordinator and structure-specific endonuclease in nucleotide excision repair (NER). Different mutations in the XPG gene ERCC5 lead to either of two distinct human diseases: Cancer-prone xeroderma pigmentosum (XP-G) or the fatal neurodevelopmental disorder Cockayne syndrome (XP-G/CS). To address the enigmatic structural mechanism for these differing disease phenotypes and for XPG’s role in multiple DDRs, here we determined the crystal structure of human XPG catalytic domain (XPGcat), revealing XPG-specific features for its activities and regulation. Furthermore, XPG DNA binding elements conserved with FEN1 superfamily members enable insights on DNA interactions. Notably, all but one of the known pathogenic point mutations map to XPGcat, and both XP-G and XP-G/CS mutations destabilize XPG and reduce its cellular protein levels. Mapping the distinct mutation classes provides structure-based predictions for disease phenotypes: Residues mutated in XP-G are positioned to reduce local stability and NER activity, whereas residues mutated in XP-G/CS have implied long-range structural defects that would likely disrupt stability of the whole protein, and thus interfere with its functional interactions. Combined data from crystallography, biochemistry, small angle X-ray scattering, and electron microscopy unveil an XPG homodimer that binds, unstacks, and sculpts duplex DNA at internal unpaired regions (bubbles) into strongly bent structures, and suggest how XPG complexes may bind both NER bubble junctions and replication forks. Collective results support XPG scaffolding and DNA sculpting functions in multiple DDR processes to maintain genome stability.

59 BASIC BIOLOGICAL SCIENCES↗

Covariant phase space and soft factorization in non-Abelian gauge theories

We perform a careful study of the infrared sector of massless non-abelian gauge theories in four-dimensional Minkowski spacetime using the covariant phase space formalism, taking into account the boundary contributions arising from the gauge sector of the theory. Upon quantization, we show that the boundary contributions lead to an infinite degeneracy of the vacua. The Hilbert space of the vacuum sector is not only shown to be remarkably simple, but also universal. We derive a Ward identity that relates the n-point amplitude between two generic in- and out-vacuum states to the one computed in standard QFT. In addition, we demonstrate that the familiar single soft gluon theorem and multiple consecutive soft gluon theorem are consequences of the Ward identity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Sign flip triangulations of the amplituhedron

We present new triangulations of the m = 4 amplituhedron relevant for scattering amplitudes in planar N = 4 super-Yang-Mills, obtained directly from the combinatorial definition of the geometry. Using the “sign flip” characterization of the amplituhedron, we reproduce the canonical forms for the all-multiplicity next-tomaximally helicity violating (NMHV) and next-to-next-to-maximally helicity violating (N2MHV) tree-level as well as the NMHV one-loop cases, without using any input from traditional amplitudes methods. Our results provide strong evidence for the equivalence of the original definition of the amplituhedron [1] and the topological one [2], and suggest a new path forward for computing higher loop amplitudes geometrically. In particular, we realize the NMHV one-loop amplituhedron as the intersection of two amplituhedra of lower dimensionality, which is reflected in the novel structure of the corresponding canonical form.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Valley phonons and exciton complexes in a monolayer semiconductor

The coupling between spin, charge, and lattice degrees of freedom plays an important role in a wide range of fundamental phenomena. Monolayer semiconducting transitional metal dichalcogenides have emerged as an outstanding platform for studying these coupling effects. Here, we report the observation of multiple valley phonons – phonons with momentum vectors pointing to the corners of the hexagonal Brillouin zone – and the resulting exciton complexes in the monolayer semiconductor WSe2. We find that these valley phonons lead to efficient intervalley scattering of quasi particles in both exciton formation and relaxation. This leads to a series of photoluminescence peaks as valley phonon replicas of dark trions. Using identified valley phonons, we also uncover an intervalley exciton near charge neutrality. Our work not only identifies a number of previously unknown 2D excitonic species, but also shows that monolayer WSe 2 is a prime candidate for studying interactions between spin, pseudospin, and zone-edge phonons.

36 MATERIALS SCIENCE↗

CHESS: The future direct geometry spectrometer at the second target station

CHESS, chopper spectrometer examining small samples, is a planned direct geometry neutron chopper spectrometer designed to detect and analyze weak signals intrinsic to small cross sections (e.g., small mass, small magnetic moments, or neutron absorbing materials) in powders, liquids, and crystals. CHESS is optimized to enable transformative investigations of quantum materials, spin liquids, thermoelectrics, battery materials, and liquids. The broad dynamic range of the instrument is also well suited to study relaxation processes and excitations in soft and biological matter. The 15 Hz repetition rate of the Second Target Station at the Spallation Neutron Source enables the use of multiple incident energies within a single source pulse, greatly expanding the information gained in a single measurement. Furthermore, the high flux grants an enhanced capability for polarization analysis. This enables the separation of nuclear from magnetic scattering or coherent from incoherent scattering in hydrogenous materials over a large range of energy and momentum transfer. This paper presents optimizations and technical solutions to address the key requirements envisioned in the science case and the anticipated uses of this instrument.

47 OTHER INSTRUMENTATION↗

Inference of the neutron down-scatter ratio using neutron time-of-flight data for DT-layered implosions on the OMEGA laser

First analysis of the neutron time of flight (nTOF) data is presented to infer the areal density using the neutron down-scatter ratio (DSR) for OMEGA deuterium–tritium (DT)-layered (cryogenic) implosions. The required very-high-dynamic range (nTOF) signal is constructed using an nTOF detector [Forrest et al., Rev. Sci. Ins. 83, 10D919 (2012)] with multiple time-gated photomultiplier tubes. The nTOF data are analyzed using a forward-fit technique to account for the detector responses and infer the DSR and areal density for DT-layered implosions. The areal densities inferred using this analysis are found to be in agreement with the areal densities measured using the magnetic recoil spectrometer detector that is located in a similar line-of-sight. This work establishes the feasibility of the DSR measurement using nTOF data on OMEGA and provides an additional areal-density measurement that will benefit the assessment of the implosion performance and 3D reconstruction of the imploded core.

47 OTHER INSTRUMENTATION↗

A Statistical Method for Reducing Sidelobe Clutter for the Ku-Band Precipitation Radar on Board the GPM Core Observatory

A statistical method to reduce the sidelobe clutter of the Ku-band precipitation radar (KuPR) of the Dual-Frequency Precipitation Radar (DPR) on board the Global Precipitation Measurement (GPM) Core Observatory is described and evaluated using DPR observations. The KuPR sidelobe clutter was much more severe than that of the Precipitation Radar on board the Tropical Rainfall Measuring Mission (TRMM), and it has caused the misidentification of precipitation. The statistical method to reduce sidelobe clutter was constructed by subtracting the estimated sidelobe power, based upon a multiple regression model with explanatory variables of the normalized radar cross section (NRCS) of surface, from the received power of the echo. The saturation of the NRCS at near-nadir angles, resulting from strong surface scattering, was considered in the calculation of the regression coefficients.The method was implemented in the KuPR algorithm and applied to KuPR-observed data. It was found that the received power from sidelobe clutter over the ocean was largely reduced by using the developed method, although some of the received power from the sidelobe clutter still remained. From the statistical results of the evaluations, it was shown that the number of KuPR precipitation events in the clutter region, after the method was applied, was comparable to that in the clutter-free region. This confirms the reasonable performance of the method in removing sidelobe clutter. For further improving the effectiveness of the method, it is necessary to improve the consideration of the NRCS saturation, which will be explored in future work.

Atm/Ocean Structure/ Phenomena; Precipitation; Obs↗

Multiple incommensurate magnetic states in the kagome antiferromagnet Na 2 Mn 3 Cl 8

The kagome lattice can host exotic magnetic phases arising from frustrated and competing magnetic interactions. However, relatively few insulating kagome materials exhibit incommensurate magnetic ordering. Here, we present a study of the magnetic structures and interactions of antiferromagnetic Na 2 Mn 3 Cl 8 with an undistorted Mn 2+ kagome network. Using neutron-diffraction and bulk magnetic measurements, we show that Na 2 Mn 3 Cl 8 hosts two different incommensurate magnetic states, which develop at T N1 = 1.6 K and T N2 = 0.6 K. Magnetic Rietveld refinements indicate magnetic propagation vectors of the form q=(q x , q y , $\frac{3}{2}$), and our neutron-diffraction data can be well described by cycloidal magnetic structures. By optimizing exchange parameters against magnetic diffuse-scattering data, we show that the spin Hamiltonian contains ferromagnetic nearest-neighbor and antiferromagnetic third-neighbor Heisenberg interactions, with a significant contribution from long-ranged dipolar coupling. This experimentally determined interaction model is compared with density-functional-theory simulations. Using classical Monte Carlo simulations, we show that these competing interactions explain the experimental observation of multiple incommensurate magnetic phases and may stabilize multi-q states. Here, our results expand the known range of magnetic behavior on the kagome lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Head on Comparison of Self- and Nano-Assemblies of Gamma Peptide Nucleic Acid Amphiphiles

Peptide nucleic acids (PNAs) are nucleic acid analogs with hybridization properties and enzymatic stability superior to that of DNA. In addition to gene targeting applications, PNAs have garnered significant attention as bio-polymers due to the Watson–Crick-based molecular recognition and flexibility of synthesis. Here, in this work, PNA amphiphiles are engineered using chemically modified gamma PNA (8 mer in length) containing hydrophilic diethylene glycol units at the gamma position and covalently conjugated lauric acid (C12) as a hydrophobic moiety. Gamma PNA ($\gamma$PNA) amphiphiles self-assemble into spherical vesicles. Further, nano-assemblies (NA) are formulated using the amphiphilic $\gamma$PNA as a polymer via ethanol injection-based protocols. Comprehensive head-on comparison of the physicochemical and cellular uptake properties of PNA derived self- and NA is performed. Small-angle neutron and X-ray scattering analysis reveal ellipsoidal morphology of $\gamma$PNA NA that results in superior cellular delivery compate to the spherical self-assembly. Next, the functional activities of $\gamma$PNA self-and NA in lymphoma cells via multiple endpoints, including gene expression, cell viability, and apoptosis-based assays are compared. Overall, it is established that $\gamma$PNA amphiphile is a functionally active bio-polymer to formulate NA for a wide range of biomedical applications.

59 BASIC BIOLOGICAL SCIENCES↗

Thermodynamic origin of the pressure-induced Invar effect: General criterion and experimental study of Fe 68 ⁢Pd 32

Synchrotron X-ray diffraction measurements were performed on 57 Fe 68 Pd 32 at multiple pressures and two temperatures in a diamond-anvil cell. Between 4 and 11GPa, the thermal expansion was zero or slightly negative. This pressure-induced Invar effect was studied further with 57 Fe nuclear forward scattering and nuclear resonant inelastic X-ray scattering to obtain information on the pressure-induced changes in both the magnetization and the phonon density of states. Magnetic entropy and phonon entropy were obtained from these results, the latter with additional measurements from inelastic neutron scattering to account for the contributions from Pd atoms. The dependencies of these entropies on pressure gave the magnetic and phonon contributions to thermal expansion. These canceled in the region of pressure-induced Invar behavior, even though they individually increased by more than a factor of 2 below the Curie pressure. The behavior of phonons gives evidence for spin-phonon interactions in Fe 68 Pd 32 . A general explanation of the pressure-induced Invar effect is presented, showing that Invar behavior is typically expected at a pressure P* below a magnetic transition at pressure PC. The difference in pressure P C − P* scales with the fractional reduction in magnetic exchange interaction divided by the average Gr¨uneisen parameter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Development of Great Lakes algorithms for the Nimbus-G coastal zone color scanner

A series of experiments in the Great Lakes designed to evaluate the application of the Nimbus G satellite Coastal Zone Color Scanner (CZCS) were conducted. Absorption and scattering measurement data were reduced to obtain a preliminary optical model for the Great Lakes. Available optical models were used in turn to calculate subsurface reflectances for expected concentrations of chlorophyll-a pigment and suspended minerals. Multiple nonlinear regression techniques were used to derive CZCS water quality prediction equations from Great Lakes simulation data. An existing atmospheric model was combined with a water model to provide the necessary simulation data for evaluation of the preliminary CZCS algorithms. A CZCS scanner model was developed which accounts for image distorting scanner and satellite motions. This model was used in turn to generate mapping polynomials that define the transformation from the original image to one configured in a polyconic projection. Four computer programs (FORTRAN IV) for image transformation are presented.

Tanis, F. J.↗

Evidence of a Weakly Absorbing Intermediate Mode of Aerosols in AERONET Data from Saharan and Sahelian Sites

Accurate retrievals of aerosol size distribution are necessary to estimate aerosols' impact on climate and human health. The inversions of the Aerosol Robotic Network (AERONET) usually retrieve bimodal distributions. However, when the inversion is applied to Saharan and Sahelian dust, an additional mode of intermediate size between the coarse and fine modes is sometimes seen. This mode explains peculiarities in the behavior of the Angstrom exponent, along with the fine mode fraction retrieved using the spectral deconvolution algorithm, observed in a March 2006 dust storm. For this study, 15 AERONET sites in northern Africa and on the Atlantic are examined to determine the frequency and properties of the intermediate mode. The mode is observed most frequently at Ilorin in Nigeria. It is also observed at Capo Verde and multiple sites located within the Sahel but much less frequently at sites in the northern Sahara and the Canary Islands. The presence of the intermediate mode coincides with increases in Angstrom exponent, fine mode fraction, single-scattering albedo, and to a lesser extent percent sphericity. The Angstrom exponent decreases with increasing optical depth at most sites when the intermediate mode is present, but the fine mode fraction does not. Single-scattering albedo does not steadily decrease with fine mode fraction when the intermediate mode is present, as it does in typical mixtures of dust and biomass-burning aerosols. Continued investigation is needed to further define the intermediate mode's properties, determine why it differs from most Saharan dust, and identify its climate and health effects.

inversions↗

Propulsion Airframe Aeroacoustics and Aircraft System Noise Flight Research Test: NASA Overview

Motivations and the formulation of the objectives are described for an ambitious flight research test conducted in collaboration between NASA and The Boeing Company. The Propulsion Airframe Aeroacoustics and Aircraft System Noise Flight Research Test was executed by the Boeing ecoDemonstrator Program with an Etihad Airways Boeing 787-10 aircraft. Five key technical approaches are described that were used to accomplish the more unconventional and challenging objectives of the research. In addition to the modern technology of the 787, these include evaluating multiple acoustic shielding and reflection effects using both the wing and fuselage in straight flight and banking flight paths, hardwalling the aft duct liner, and utilizing an extensive instrumentation array both on the ground and on the aircraft. The research level version of NASA’s aircraft system noise prediction capability including a new acoustic scattering method were used to confirm the technical approaches and provide guidance for the detailed design of instrumentation and flight test plans. Initial comparisons are shown of flight test data to predictions using the research level of NASA’s Aircraft Noise Prediction Program. Significant prediction challenges are revealed when compared to these high-quality data, while major progress is shown both in the measurement and the prediction of propulsion airframe aeroacoustic effects in flight. This comparison marks the first rigorous validation with modern flight test data and establishes a basis to further understand and quantify the state of NASA’s current capability and to develop improvements in the fidelity of aircraft system noise predictions. The context of multiple coordinated companion research papers is described as well as future plans for the continued analysis of this flight research data.

Propulsion Airframe Aeroacoustics↗

Understanding and improving model representation of aerosol optical properties for a Chinese haze event measured during KORUS-AQ

KORUS-AQ was an international cooperative air quality field study in South Korea that measured local and remote sources of air pollution affecting the Korean Peninsula during May–June 2016. Some of the largest aerosol mass concentrations were measured during a Chinese haze transport event (24 May). Air quality forecasts using the WRF-Chem model with aerosol optical depth (AOD) data assimilation captured AOD during this pollution episode but overpredicted surface particulate matter concentrations in South Korea, especially PM 2.5 , often by a factor of 2 or larger. Analysis revealed multiple sources of model deficiency related to the calculation of optical properties from aerosol mass that explain these discrepancies. Using in situ observations of aerosol size and composition as inputs to the optical properties calculations showed that using a low-resolution size bin representation (four bins) underestimates the efficiency with which aerosols scatter and absorb light (mass extinction efficiency). Besides using finer-resolution size bins (8–16 bins), it was also necessary to increase the refractive indices and hygroscopicity of select aerosol species within the range of values reported in the literature to achieve better consistency with measured values of the mass extinction efficiency (6.7 m 2 g –1 observed average) and light-scattering enhancement factor (ƒ(RH)) due to aerosol hygroscopic growth (2.2 observed average). Furthermore, an evaluation of the optical properties obtained using modeled aerosol properties revealed the inability of sectional and modal aerosol representations in WRF-Chem to properly reproduce the observed size distribution, with the models displaying a much wider accumulation mode. Other model deficiencies included an underestimate of organic aerosol density (1.0 g cm –3 in the model vs. observed average of 1.5 g cm –3 ) and an overprediction of the fractional contribution of submicron inorganic aerosols other than sulfate, ammonium, nitrate, chloride, and sodium corresponding to mostly dust (17 %–28 % modeled vs. 12 % estimated from observations). These results illustrate the complexity of achieving an accurate model representation of optical properties and provide potential solutions that are relevant to multiple disciplines and applications such as air quality forecasts, health impact assessments, climate projections, solar power forecasts, and aerosol data assimilation.

54 ENVIRONMENTAL SCIENCES↗

Understanding and Improving Model Representation of Aerosol Optical Properties for a Chinese Haze Event Measured During KORUS-AQ

KORUS-AQ was an international cooperative air quality field study in South Korea that measured local and remote sources of air pollution affecting the Korean Peninsula during May–June 2016. Some of the largest aerosol mass concentrations were measured during a Chinese haze transport event (24 May). Air quality forecasts using the WRF-Chem model with aerosol optical depth (AOD) data assimilation captured AOD during this pollution episode but overpredicted surface particulate matter concentrations in South Korea, especially PM2.5, often by a factor of 2 or larger. Analysis revealed multiple sources of model deficiency related to the calculation of optical properties from aerosol mass that explain these discrepancies. Using in situ observations of aerosol size and composition as inputs to the optical properties calculations showed that using a low-resolution size bin representation (four bins) underestimates the efficiency with which aerosols scatter and absorb light (mass extinction efficiency). Besides using finer-resolution size bins (8–16 bins), it was also necessary to increase the refractive indices and hygroscopicity of select aerosol species within the range of values reported in the literature to achieve better consistency with measured values of the mass extinction efficiency (6.7 m2 g−1 observed average) and light-scattering enhancement factor (f(RH)) due to aerosol hygroscopic growth (2.2 observed average). Furthermore, an evaluation of the optical properties obtained using modeled aerosol properties revealed the inability of sectional and modal aerosol representations in WRF-Chem to properly reproduce the observed size distribution, with the models displaying a much wider accumulation mode. Other model deficiencies included an underestimate of organic aerosol density (1.0 g cm−3 in the model vs. observed average of 1.5 g cm−3) and an overprediction of the fractional contribution of submicron inorganic aerosols other than sulfate, ammonium, nitrate, chloride, and sodium corresponding to mostly dust (17 %–28 % modeled vs. 12 % estimated from observations). These results illustrate the complexity of achieving an accurate model representation of optical properties and provide potential solutions that are relevant to multiple disciplines and applications such as air quality forecasts, health impact assessments, climate projections, solar power forecasts, and aerosol data assimilation.

Pablo E. Saide↗