Interaction of oblique shock waves with regions of variable pressure, entropy, and energy
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Moeckel, W E↗
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DSMC Computations for Regions of Shock/Shock and Shock/Boundary Layer Interaction
This paper presents the results of a numerical study of hypersonic interacting flows at flow conditions that include those for which experiments have been conducted in the Calspan-University of Buffalo Research Center (CUBRC) Large Energy National Shock (LENS) tunnel and the ONERA R5Ch low-density wind tunnel. The computations are made with the direct simulation Monte Carlo (DSMC) method of Bird. The focus is on Mach 9.3 to 11.4 flows about flared axisymmetric configurations, both hollow cylinder flares and double cones. The results presented highlight the sensitivity of the calculations to grid resolution, provide results concerning the conditions for incipient separation, and provide information concerning the flow structure and surface results for the extent of separation, heating, pressure, and skin friction.
Moss, James N.↗
DSMC Computations for Regions of Shock/Shock and Shock/Boundary Layer Interaction
This paper presents the results of a numerical study of hypersonic interacting flows at flow conditions that include those for which experiments have been conducted in the Calspan-University of Buffalo Research Center (CUBRC) Large Energy National Shock (LENS) tunnel and the ONERA R5Ch low-density wind tunnel. The computations are made with the direct simulation Monte Carlo (DSMC) method of Bird. The focus is on Mach 9.3 to 11.4 flows about flared axisymmetric configurations, both hollow cylinder flares and double cones. The results presented highlight the sensitivity of the calculations to grid resolution, provide results concerning the conditions for incipient separation, and provide information concerning the flow structure and surface results for the extent of separation, heating, pressure, and skin friction.
Moss, James N.↗
Ice-Ocean Interactions in the Greenland Sea Odden Region as Interpred in Ocean Mooring and Satellite Microwave Data
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Greenland Odden Region↗
Ice-Ocean Interactions in the Greenland Sea Odden Region as Interpreted in Ocean Mooring and Satellite Microwave Data
Satellite and in-situ data for the.
microwave data SAR data ice edge embaymant plumes ↗
Dynamics of the Terrestrial Radiation Belts: a Review of Recent Results During the VarSITI (Variability of the Sun and Its Terrestrial Impact) Era, 2014–2018
The Earth’s magnetosphere is region that is carved out by the solar wind as it flows past and interacts with the terrestrial magnetic field. The inner magnetosphere is the region that contains the plasmasphere, ring current, and the radiation belts all co-located within about 6.6 Re, nominally taken to be bounding this region. This region is highly dynamic and is home to a variety of plasma waves and particle populations ranging in energy from a few eV to relativistic and ultra-relativistic electrons and ions. The interplanetary magnetic field (IMF) embedded in the solar wind via the process of magnetic reconnection at the sub-solar point sets up plasma convection and creates the magnetotail. Magnetic reconnection also occurs in the tail and is responsible for explosive phenomena known as substorms. Substorms inject low-energy particles into the inner magnetosphere and help generate and sustain plasma waves. Transients in the solar wind such as coronal mass ejections (CMEs), co-rotating interaction regions (CIRs), and interplanetary shocks compress the magnetosphere resulting in geomagnetic storms, energization, and loss of energetic electrons in the outer radiation belt and enhance the ring current, thereby driving the geomagnetic dynamics. The Specification and Prediction of the Coupled Inner-Magnetospheric Environment (SPeCIMEN) is one of the four elements of VarSITI (Variability of the Sun and Its Terrestrial Impact) program which seeks to quantitatively predict and specify the inner magnetospheric environment based on Sun/solar wind driving inputs. During the past 4 years, the SPeCIMEN project has brought together scientists and researchers from across the world and facilitated their efforts to achieve the project goal. This review provides an overview of some of the significant scientific advances in understanding the dynamical processes and their interconnectedness during the VarSITI era. Major space missions, with instrument suites providing in situ measurements, ground-based programs, progress in theory, and modeling are briefly discussed. Open outstanding questions and future directions of inner magnetospheric research are explored.
Shrikanth Kanekal↗
Implicit Large-Eddy Simulation of Axisymmetric and Asymmetric Turbulent Shock Wave Boundary Layer Interaction at Mach 2.5
High-speed inlet flows feature turbulent shock wave boundary layer interactions at supersonic Mach numbers. A canonical Mach 2.5 shock wave boundary layer interaction experiment at the NASA Glenn Research Center was designed for axisymmetric and asymmetric interactions depending on the placement of the shock generator. Four different wall-resolved implicit large-eddy simulations of the experiment were carried out at one-tenth of the Reynolds number of the experiment: (1) Two axisymmetric interactions with shock generator radii of 9.2% and 14.7% of the test section diameter and (2) two asymmetric interactions with 14.7% shock generator radius and shock generator centerline offsets of one-third and one-fourth of the test section radius. For the two axisymmetric interactions, various sub-domains upstream of the interaction, within the interaction, and downstream of the interaction were analyzed with the proper orthogonal decomposition. For all three regions, the dominant modes are streamwise coherent structures with Strouhal numbers based on separation length of 0.15 and below. Fourier spectra of the wall-pressure coefficient for the interaction region have peaks at Strouhal numbers based on separation length of 0.15 and 0.04. For the two asymmetric interactions, the streamwise extent of the separation varies considerably in the azimuthal direction. For both shock generator offsets, the interaction is strongest for the azimuthal location that is closest to the shock generator. Compared to the axisymmetric interaction, the streamwise extent of the separated flow region is noticeably reduced and a substantial crossflow is observed. Fourier analyses of the unsteady flow indicate low-frequency content f or the upstream part of the interaction which is more two-dimensional. Away from the upstream region, with increasing sweep angle and crossflow, the low-frequency content is diminished.
Computational Fluid Dynamics↗
Impact of biomass burning aerosols on radiation, clouds, and precipitation over the Amazon: relative importance of aerosol–cloud and aerosol–radiation interactions
Biomass burning (BB) aerosols can influence regional and global climate through interactions with radiation, clouds, and precipitation. Here, we investigate the impact of BB aerosols on the energy balance and hydrological cycle over the Amazon Basin during the dry season. We performed simulations with a fully coupled meteorology–chemistry model, the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem), for a range of different BB emission scenarios to explore and characterize nonlinear effects and individual contributions from aerosol–radiation interactions (ARIs) and aerosol–cloud interactions (ACIs). The ARIs of BB aerosols tend to suppress low-level liquid clouds by local warming and increased evaporation and to facilitate the formation of high-level ice clouds by enhancing updrafts and condensation at high altitudes. In contrast, the ACIs of BB aerosol particles tend to enhance the formation and lifetime of low-level liquid clouds by providing more cloud condensation nuclei (CCN) and to suppress the formation of high-level ice clouds by reducing updrafts and condensable water vapor at high altitudes (>8 km). For scenarios representing the lower and upper limits of BB emission estimates for recent years (2002–2016), we obtained total regional BB aerosol radiative forcings of –0.2 and 1.5 W m –2 , respectively, showing that the influence of BB aerosols on the regional energy balance can range from modest cooling to strong warming. We find that ACIs dominate at low BB emission rates and low aerosol optical depth (AOD), leading to an increased cloud liquid water path (LWP) and negative radiative forcing, whereas ARIs dominate at high BB emission rates and high AOD, leading to a reduction of LWP and positive radiative forcing. In all scenarios, BB aerosols led to a decrease in the frequency of occurrence and rate of precipitation, caused primarily by ACI effects at low aerosol loading and by ARI effects at high aerosol loading. The dependence of precipitation reduction on BB aerosol loading is greater in a strong convective regime than under weakly convective conditions. Overall, our results show that ACIs tend to saturate at high aerosol loading, whereas the strength of ARIs continues to increase and plays a more important role in highly polluted episodes and regions. This should hold not only for BB aerosols over the Amazon, but also for other light-absorbing aerosols such as fossil fuel combustion aerosols in industrialized and densely populated areas. The importance of ARIs at high aerosol loading highlights the need for accurately characterizing aerosol optical properties in the investigation of aerosol effects on clouds, precipitation, and climate.
54 ENVIRONMENTAL SCIENCES↗
Effects of pH on an IDP conformational ensemble explored by molecular dynamics simulation
The conformational ensemble of intrinsically disordered proteins, such as α-synuclein, are responsible for their function and malfunction. Misfolding of α-synuclein can lead to neurodegenerative diseases, and the ability to study their conformations and those of other intrinsically disordered proteins under varying physiological conditions can be crucial to understanding and preventing pathologies. In contrast to well-folded peptides, a consensus feature of IDPs is their low hydropathy and high charge, which makes their conformations sensitive to pH perturbation. We examine a prominent member of this subset of IDPs, α-synuclein, using a divide-and-conquer scheme that provides enhanced sampling of IDP structural ensembles. We constructed conformational ensembles of α-synuclein under neutral (pH ~ 7) and low (pH ~ 3) pH conditions and compared our results with available information obtained from smFRET, SAXS, and NMR studies. Specifically, α-synuclein has been found to in a more compact state at low pH conditions and the structural changes observed are consistent with those from experiments. We also characterize the conformational and dynamic differences between these ensembles and discussed the implication on promoting pathogenic fibril formation. We find that under low pH conditions, neutralization of negatively charged residues leads to compaction of the C-terminal portion of α-synuclein while internal reorganization allows α-synuclein to maintain its overall end-to-end distance. Here, we also observe different levels of intra-protein interaction between three regions of α-synuclein at varying pH and a shift towards more hydrophilic interactions with decreasing pH.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Insights into substrate coordination and glycosyl transfer of poplar cellulose synthase-8
Cellulose is an abundant cell wall component of land plants. It is synthesized from UDP-activated glucose molecules by cellulose synthase, a membrane-integrated processive glycosyltransferase. Cellulose synthase couples the elongation of the cellulose polymer with its translocation across the plasma membrane. Here, we present substrate- and product-bound cryogenic electron microscopy structures of the homotrimeric cellulose synthase isoform-8 (CesA8) from hybrid aspen (poplar). UDP-glucose binds to a conserved catalytic pocket adjacent to the entrance to a transmembrane channel. The substrate’s glucosyl unit is coordinated by conserved residues of the glycosyltransferase domain and amphipathic interface helices. Site-directed mutagenesis of a conserved gating loop capping the active site reveals its critical function for catalytic activity. Molecular dynamics simulations reveal prolonged interactions of the gating loop with the substrate molecule, particularly across its central conserved region. These transient interactions likely facilitate the proper positioning of the substrate molecule for glycosyl transfer and cellulose translocation.
59 BASIC BIOLOGICAL SCIENCES↗
Kinematics in the Interacting, Star-Forming Galaxies NGC 3395/3396 and NGC 3991/3994/3995
It has been suggested that induced star formation is more sensitive to galaxy dynamics than to local phenomena and that enhanced star formation is found in galaxies with disturbed velocity structures. We are studying the stellar populations of several UV-bright, interacting galaxies to try to understand the detailed star formation process in these systems. We present preliminary results of an investigation of the kinematics of star-forming regions in the interacting systems NGC 3395/3396 and NGC 3991/3994/3995. Regions of powerful star formation are observed throughout these galaxies. The observatation will be used to investigate rotation curves in the galaxies and motion in the tidal tails.
Weistrop, Donna↗
Crop growth and irrigation interact to influence surface fluxes in a regional climate-cropland model (WRF3.3-CLM4crop)
Here, we coupled Version 4.0 of the Community Land Model that includes crop growth and management (CLM4crop) into the Weather Research and Forecasting (WRF) model Version 3.3 to better represent interactions between climate and agriculture. We evaluated the performance of the coupled model (WRF3.3-CLM4crop) by comparing simulated crop growth and surface climate to multiple observational datasets across the continental United States. The results showed that although the model with dynamic crop growth overestimated leaf area index (LAI) and growing season length, interannual variability in peak LAI was improved relative to a model with prescribed crop LAI and growth period, which has no environmental sensitivity. Adding irrigation largely improved daily minimum temperature but the RMSE is still higher over irrigated land than non-irrigated land. Improvements in climate variables were limited by an overall model dry bias. However, with addition of an irrigation scheme, soil moisture and surface energy flux partitioning were largely improved at irrigated sites. Irrigation effects were sensitive to crop growth: the case with prescribed crop growth underestimated irrigation water use and effects on temperature and overestimated soil evaporation relative to the case with dynamic crop growth in moderately irrigated regions. We conclude that studies examining irrigation effects on weather and climate using coupled climate–land surface models should include dynamic crop growth and realistic irrigation schemes to better capture land surface effects in agricultural regions.
54 ENVIRONMENTAL SCIENCES↗
The TPR domain of PgaA is a multifunctional scaffold that binds PNAG and modulates PgaB-dependent polymer processing
The synthesis of exopolysaccharides as biofilm matrix components by pathogens is a crucial factor for chronic infections and antibiotic resistance. Many periplasmic proteins involved in polymer processing and secretion in Gram-negative synthase dependent exopolysaccharide biosynthetic systems have been individually characterized. The operons responsible for the production of PNAG, alginate, cellulose and the Pel polysaccharide each contain a gene that encodes an outer membrane associated tetratricopeptide repeat (TPR) domain containing protein. While the TPR domain has been shown to bind other periplasmic proteins, the functional consequences of these interactions for the polymer remain poorly understood. Herein, we show that the C-terminal TPR region of PgaA interacts with the de-N-acetylase domain of PgaB, and increases its deacetylase activity. Additionally, we found that when the two proteins form a complex, the glycoside hydrolase activity of PgaB is also increased. To better understand structure-function relationships we determined the crystal structure of a stable TPR module, which has a conserved groove formed by three repeat motifs. Tryptophan quenching, mass spectrometry analysis and molecular dynamics simulation studies suggest that the crystallized TPR module can bind PNAG/dPNAG via its electronegative groove on the concave surface, and potentially guide the polymer through the periplasm towards the porin for export. Our results suggest a scaffolding role for the TPR domain that combines PNAG/dPNAG translocation with the modulation of its chemical structure by PgaB.
59 BASIC BIOLOGICAL SCIENCES↗
Western Regional Center of the National Institute for Climatic Change Research
The major goal of this project was fostering, integrating, synthesizing, and disseminating experimental, observational, and modeling research on predicted climate change in the western region of the U.S. and the impacts of that change on the structure, productivity, and climatic interactions of the region's natural and managed ecological systems. This was accomplished through administering a competitive grants program developed in collaboration with the other four regional centers of the NICCR. The activities supported included efforts to synthesize research on climate change in the western U.S. through meta-analysis studies, model comparisons, and data synthesis workshops. Results from this work were disseminated to the scientific and public media. This project also supported the development of the NICCR web site, hosted at NAU, which was used as the means to accept pre-proposal and proposal submissions for each funding cycle, and served as a clearing house for public outreach for results from NICCR-funded research
54 ENVIRONMENTAL SCIENCES↗
Theoretical description of electronically excited vinylidene up to 10 eV: First high level ab initio study of singlet valence and Rydberg states
The first quantitative description of the Rydberg and valence singlet electronic states of vinylidene lying in the 0–10 eV region is performed by using large scale ab initio calculations. A deep analysis of Rydberg-valence interactions has been achieved thanks to the comprehensive information contained in the accurate Multi-Reference Configuration Interaction wavefunctions and an original population analysis highlighting the respective role played by orbital and state mixing in such interactions. The present theoretical approach is thus adequate for dealing with larger than diatomic Rydberg systems. The nine lowest singlet valence states have been optimized. Among them, some are involved in strong Rydberg-valence interactions in the region of the Rydberg state equilibrium geometry. The Rydberg states of vinylidene present a great similarity with the acetylene isomer, concerning their quantum defects and Rydberg molecular orbital character. As in acetylene, strong s-d mixing is revealed in the n = 3 s-d supercomplex. Nevertheless, unlike in acetylene, the close-energy of the two vinylidene ionic cores {sup 2}A{sub 1} and {sup 2}B{sub 1} results into two overlapped Rydberg series. These Rydberg series exhibit local perturbations when an accidental degeneracy occurs between them and results in avoided crossings. In addition, some Δl = 1 (s-p and p-d) mixings arise for some Rydberg states and are rationalized in term of electrostatic interaction from the electric dipole moment of the ionic core. The strongest dipole moment of the {sup 2}B{sub 1} cationic state also stabilizes the lowest members of the n = 3 Rydberg series converging to this excited state, as compared to the adjacent series converging toward the {sup 2}A{sub 1} ionic ground state. The overall energies of vinylidene Rydberg states lie above their acetylene counterpart. Finally, predictions for optical transitions in singlet vinylidene are suggested for further experimental spectroscopic characterization of vinylidene.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Pacific decadal oscillation remotely forced by the equatorial Pacific and the Atlantic Oceans
Abstract The Pacific Decadal Oscillation (PDO), the leading mode of Pacific decadal sea surface temperature variability, arises mainly from combinations of regional air-sea interaction within the North Pacific Ocean and remote forcing, such as from the tropical Pacific and the Atlantic. Because of such a combination of mechanisms, a question remains as to how much PDO variability originates from these regions. To better understand PDO variability, the equatorial Pacific and the Atlantic impacts on the PDO are examined using several 3-dimensional partial ocean data assimilation experiments conducted with two global climate models: the CESM1.0 and MIROC3.2m. In these partial assimilation experiments, the climate models are constrained by observed temperature and salinity anomalies, one solely in the Atlantic basin and the other solely in the equatorial Pacific basin, but are allowed to evolve freely in other regions. These experiments demonstrate that, in addition to the tropical Pacific’s role in driving PDO variability, the Atlantic can affect PDO variability by modulating the tropical Pacific climate through two proposed processes. One is the equatorial pathway, in which tropical Atlantic sea surface temperature (SST) variability causes an El Niño-like SST response in the equatorial Pacific through the reorganization of the global Walker circulation. The other is the north tropical pathway, where low-frequency SST variability associated with the Atlantic Multidecadal Oscillation induces a Matsuno-Gill type atmospheric response in the tropical Atlantic-Pacific sectors north of the equator. These results provide a quantitative assessment suggesting that 12–29% of PDO variance originates from the Atlantic Ocean and 40–44% from the tropical Pacific. The remaining 27–48% of the variance is inferred to arise from other processes such as regional ocean-atmosphere interactions in the North Pacific and possibly teleconnections from the Indian Ocean.
Meteorology & Atmospheric Sciences↗
Interactive prostate segmentation using atlas-guided semi-supervised learning and adaptive feature selection
Purpose: Accurate prostate segmentation is necessary for maximizing the effectiveness of radiation therapy of prostate cancer. However, manual segmentation from 3D CT images is very time-consuming and often causes large intra- and interobserver variations across clinicians. Many segmentation methods have been proposed to automate this labor-intensive process, but tedious manual editing is still required due to the limited performance. In this paper, the authors propose a new interactive segmentation method that can (1) flexibly generate the editing result with a few scribbles or dots provided by a clinician, (2) fast deliver intermediate results to the clinician, and (3) sequentially correct the segmentations from any type of automatic or interactive segmentation methods. Methods: The authors formulate the editing problem as a semisupervised learning problem which can utilize a priori knowledge of training data and also the valuable information from user interactions. Specifically, from a region of interest near the given user interactions, the appropriate training labels, which are well matched with the user interactions, can be locally searched from a training set. With voting from the selected training labels, both confident prostate and background voxels, as well as unconfident voxels can be estimated. To reflect informative relationship between voxels, location-adaptive features are selected from the confident voxels by using regression forest and Fisher separation criterion. Then, the manifold configuration computed in the derived feature space is enforced into the semisupervised learning algorithm. The labels of unconfident voxels are then predicted by regularizing semisupervised learning algorithm. Results: The proposed interactive segmentation method was applied to correct automatic segmentation results of 30 challenging CT images. The correction was conducted three times with different user interactions performed at different time periods, in order to evaluate both the efficiency and the robustness. The automatic segmentation results with the original average Dice similarity coefficient of 0.78 were improved to 0.865–0.872 after conducting 55–59 interactions by using the proposed method, where each editing procedure took less than 3 s. In addition, the proposed method obtained the most consistent editing results with respect to different user interactions, compared to other methods. Conclusions: The proposed method obtains robust editing results with few interactions for various wrong segmentation cases, by selecting the location-adaptive features and further imposing the manifold regularization. The authors expect the proposed method to largely reduce the laborious burdens of manual editing, as well as both the intra- and interobserver variability across clinicians.
07 ISOTOPE AND RADIATION SOURCES↗
Progress toward double-differential cross-section measurements of single charged-pion production in charged current muon neutrino interactions on argon with SBND
Resonant neutrino–nucleus processes constitute a significant portion of neutrino interactions in the few-GeV energy region. Charged-current interactions with a muon and one single charged pion in the final state (CC1$\pi$) are primarily sensitive to resonant processes, while also receiving contributions from non-resonant processes and being strongly affected by nuclear effects and final-state interactions. A precise understanding of this channel is essential for improving neutrino interaction models and reducing systematic uncertainties in oscillation measurements. The Short-Baseline Near Detector (SBND) at Fermilab has collected the largest neutrino–argon dataset to date, providing an excellent opportunity to study CC1$\pi$ interactions on argon. This analysis aims to improve existing single-differential cross-section measurements by reporting results in a variety of kinematic variables and to perform the first double-differential CC1$\pi$ cross-section measurement on argon, using novel techniques for pion energy reconstruction.
Pelegrina-Gutiérrez, Luis [Granada U.] (ORCID:0000↗