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At least 1,117 records · Page 62

Martini 3 Coarse-Grained Force Field for Cholesterol

Cholesterol plays a crucial role in biomembranes by regulating various properties, such as fluidity, rigidity, permeability, and organization of lipid bilayers. The latest version of the Martini model, Martini 3, offers significant improvements in interaction balance, molecular packing, and inclusion of new bead types and sizes. However, the release of the new model resulted in the need to reparameterize many core molecules, including cholesterol. Here, we describe the development and validation of a Martini 3 cholesterol model, addressing issues related to its bonded setup, shape, volume, and hydrophobicity. In conclusion, the proposed model mitigates some limitations of its Martini 2 predecessor while maintaining or improving the overall behavior.

59 BASIC BIOLOGICAL SCIENCES↗

Hypersonic nozzle/afterbody CFD code validation. I - Experimental measurements

This study was conducted to obtain a detailed experimental description of the flow field created by the interaction of a single-expansion-ramp-nozzle flow with a hypersonic external stream. Data were obtained from a generic nozzle/afterbody model in the 3.5-Foot Hypersonic Wind Tunnel of the NASA Ames Research Center in a cooperative experimental program involving Ames and the McDonnell Douglas Research Laboratories. This paper presents experimental results consisting primarily of surveys obtained with a five-hole total-pressure/flow-direction probe and a total-temperature probe. These surveys were obtained in the flow field created by the interaction between the underexpanded jet plume and the external flow.

Spaid, Frank W.↗

Trigger of Standard and Blowout Solar Jets: I. Parametric Studies of the Magnetic Field Geometry

Context. Jets are dynamic, impulsive, well collimated plasma events developing at many different scales and in differentlayers of the solar atmosphere.Aims. Jets are believed to be induced by magnetic reconnection a process central to many astrophysical phenomena.Studying their dynamics can help us to better understand the processes acting in larger eruptive events (e.g. flares andcoronal mass ejection) as well as mass, magnetic helicity and energy transfer at all scale in the solar atmosphere. Therelative simplicity of their magnetic geometry and topology, compared with larger solar active events, makes jets idealcandidate for studying the fundamental role of reconnection in energetic events. Methods. In this study, using our state-of-the-art numerical solver ARMS, we present several parametric studies of anumerical three-dimensional magneto-hydrodynamic model of solar jet-like events. We study the impact of the magneticfield inclination and photospheric field distribution on the generation and properties of two types of observed solar jets:the so-called standard and blowout jets.Results. The present parametric studies validate our model of jets for different geometric properties of the magneticconfiguration. On one hand, a blowout jets is eventually always trigger for the range of parameters that we tested. The3D magnetic null-point configuration is a very robust structure for the energy storage and impulsive release characteristicof blowout jets. On the other hand, the existence of the standard jet depends on the magnetic geometry. We show thatthe reconnection occurring during the standard jet phase influences the properties of the trigger of the blowout jet.Conclusions. Our results allow us to better understand the energization, triggering and driving processes of standardand blowout jets. Our model allows us to predict the impulsiveness and energetics of jets in terms of the surroundingmagnetic field configuration. Finally we discuss the interpretation of standard jets and blowout jets and the physicalfactors that determine which type of jets will occur.

Pariat, E.↗

NASA Ground-Truthing Capabilities Demonstrated

NASA Research and Education Network (NREN) ground truthing is a method of verifying the scientific validity of satellite images and clarifying irregularities in the imagery. Ground-truthed imagery can be used to locate geological compositions of interest for a given area. On Mars, astronaut scientists could ground truth satellite imagery from the planet surface and then pinpoint optimum areas to explore. These astronauts would be able to ground truth imagery, get results back, and use the results during extravehicular activity without returning to Earth to process the data from the mission. NASA's first ground-truthing experiment, performed on June 25 in the Utah desert, demonstrated the ability to extend powerful computing resources to remote locations. Designed by Dr. Richard Beck of the Department of Geography at the University of Cincinnati, who is serving as the lead field scientist, and assisted by Dr. Robert Vincent of Bowling Green State University, the demonstration also involved researchers from the NASA Glenn Research Center and the NASA Ames Research Center, who worked with the university field scientists to design, perform, and analyze results of the experiment. As shown real-time Hyperion satellite imagery (data) is sent to a mass storage facility, while scientists at a remote (Utah) site upload ground spectra (data) to a second mass storage facility. The grid pulls data from both mass storage facilities and performs up to 64 simultaneous band ratio conversions on the data. Moments later, the results from the grid are accessed by local scientists and sent directly to the remote science team. The results are used by the remote science team to locate and explore new critical compositions of interest. The process can be repeated as required to continue to validate the data set or to converge on alternate geophysical areas of interest.

Lopez, Isaac↗

Evidence of topological charge polarization at active-passive interfaces in acoustically powered active liquid crystals

Theoretical and computational studies predict topological charge separation at active-passive interfaces in active nematics, but reliable experimental validation has been lacking. We utilize a synthetic acoustically energized liquid crystal to experimentally investigate the dynamics of topological defects across an active-passive interface. The interference pattern induced by the acoustic wave inside the experimental cell creates a spatial distribution of activity, resulting in the formation of active-passive interfaces with the liquid-crystalline director field aligned parallel to those interfaces. The activity gradient drives the reorientation of positively charged topological defects along its direction, causing them to migrate into the passive zone and form a layer with net topological charge. That layer “discharges” upon cessation of activity through annihilation of positive and negative topological charges, resembling the discharge of a capacitor.

Active defects↗

Fuel/Basket Degradation Modeling Summary

This report documents the activities in a preliminary phase of development for three models: 1) waste package breach model, 2) fuel/basket degradation model, and 3) dual-purpose canister (DPC) crush model. The waste package breach model describes the coupling of mass flow, heat transport, and canister shell deformation in response to a heat-generating (criticality) event. The fuel/basket degradation model describes potential weakening and disaggregation of the DPC structure from corrosion, possibly accelerated by seismic ground motion. Progressively degraded three-dimensional (3D) configurations of the fuel, basket, and shell are generated for future analysis of reactivity (with as-loaded DPC fuel characteristics). Another important application for the fuel/basket degradation model is validation of the two stylized degradation cases currently being used by other investigators for analysis of the as-loaded DPC inventory under disposal conditions. The DPC crush model investigates stability of a typical DPC after breach of the disposal overpack allows fluids from the repository near-field environment to penetrate and externally pressurize the canister shell. Preliminary results show that large deformation of the DPC could occur for external pressure on the order of 10 to 15 MPa, or the shell could be stable (not collapse) with pressure of 20 MPa or greater if the basket plates are fully welded at the connections.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

SCALE 6.2.4 Validation: Radiation Shielding

For safe and reliable use of computer codes by the community, accuracy must be clearly evaluated. In particular, the nuclear reactor engineering and licensing field needs accurate tools for radiation shielding modeling. Monaco with Automated Variance Reduction using Importance Calculations (MAVRIC) is one such tool, with built-in variance reduction methods distributed within the SCALE code, and its validity is demonstrated in this report for the released version 6.2.4. Representative benchmarks corresponding to shielding analysis are selected for the validation study. Typical experimental results analyzed from those benchmarks include neutron fluxes, detector count rates, detector energy response functions, neutron and gamma doses, foil neutron activation rates and activities, neutron leakage fluxes, and skyshine dose rates. Thousands of points of comparison between experiment and calculation are presented in this work. Other than rare outliers typically explained by either a lack of information or large uncertainties in the experiment conditions, material, or dimensions, MAVRIC agrees well with the experiment results. MAVRIC is also compared to Monte Carlo N-Particle (MCNP) calculations when available, and both codes generally produce good agreements within estimated uncertainties. The selected benchmarks are obtained from reliable sources such as the International Criticality Safety Benchmark Evaluation Project Handbook (ICSBEP Handbook), the Shielding Integral Benchmark Archive & Database (SINBAD), and other shielding validation work found in the literature. Additional datapoints and benchmarks will be added to future versions of this report to incrementally expand the shielding validation suite incrementally.

61 RADIATION PROTECTION AND DOSIMETRY↗

Practical CO2—WAG Field Operational Designs Using Hybrid Numerical-Machine-Learning Approaches

Machine-learning technologies have exhibited robust competences in solving many petroleum engineering problems. The accurate predictivity and fast computational speed enable a large volume of time-consuming engineering processes such as history-matching and field development optimization. The Southwest Regional Partnership on Carbon Sequestration (SWP) project desires rigorous history-matching and multi-objective optimization processes, which fits the superiorities of the machine-learning approaches. Although the machine-learning proxy models are trained and validated before imposing to solve practical problems, the error margin would essentially introduce uncertainties to the results. In this paper, a hybrid numerical machine-learning workflow solving various optimization problems is presented. By coupling the expert machine-learning proxies with a global optimizer, the workflow successfully solves the history-matching and CO2 water alternative gas (WAG) design problem with low computational overheads. The history-matching work considers the heterogeneities of multiphase relative characteristics, and the CO2-WAG injection design takes multiple techno-economic objective functions into accounts. This work trained an expert response surface, a support vector machine, and a multi-layer neural network as proxy models to effectively learn the high-dimensional nonlinear data structure. The proposed workflow suggests revisiting the high-fidelity numerical simulator for validation purposes. The experience gained from this work would provide valuable guiding insights to similar CO2 enhanced oil recovery (EOR) projects.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

A numerical study of the unsteady leading edge separation bubble on an oscillating airfoil

A preliminary study of the unsteady viscous flow in the region of an airfoil leading edge was performed, in which the interaction between the viscous and inviscid flow fields is neglected. The solution method uses the finite difference form of the governing equations throughout the separated flow field and incorporates a transition model based on the integral turbulence kinetic energy equation. The validity of the numerical procedure is verified by making comparisons with analytical solutions to several test problems, including unsteady flow over a plate oscillating in its own plane. The method was then applied to the problem of unsteady viscous flow over a NACA 0012 airfoil oscillating sinusoidally in pitch. The flow field characteristics were in qualitative agreement with experimental results. The bubble moved forward on the airfoil and decreased in size as incidence was increased. Viscous flow in the leading edge region was found to be quasi-steady, while bubble height varied inversely with Reynolds number.

Kreskovsky, J. P.↗

Indirect Phase Height Measurements in Central and Eastern Europe for Monitoring D Region Plasma

Low-frequency propagation experiments for the investigation of the lower part of the ionospheric D region were at first used by BRACEWELL et al. (1951) in the early fifties. Among these was the method of indirect phase height measurements for continuous monitoring of the lower ionosphere. It is based upon field strength measurements of commercial radio transmitters in the frequency range between 50 and 200 kHz at distances from 500 to 1500 km. The field strength records show characteristic diurnal variations with maxima and minima, produced by interference between the ground wave and the ionospherically reflected sky wave, the phase difference between varies in correspondence to the diurnal variation of the reflection height. In order to check the validity of interpretations of indirect phase height data, comparisons were made with simultaneous rocket soundings. Results are summarized.

Cossart, G. V.↗

Prediction of Unsteady Transitional Layers in Turbomachinery Using Navier Stokes Equations

The objective of the research reported in this presentation is to develop computational techniques for the prediction of unsteady transitional flows associated with the rotor stator interaction in turbomachinery. Three low-Reynolds number turbulence models are incorporated in two unsteady Navier-Stokes codes (one is pressure based and the other is time marching with Runge-Kutta time stepping) and evaluated for accuracy in predicting the onset and the end of unsteady transitional patches due to wake passing. The best model is then used for modification and improvement for the leading edge effect. An existing steady Navier-Stokes code was modified to include pseudo-time stepping, which provided acceleration from 5 to 25 times that of the original code. A systematic validation procedure was implemented to assess the effects of the grid, artificial dissipation, physical, and the pseudo-time step for an accurate prediction of transitional flows resulting from the rotor-stator interaction. The ability of the Navier-Stokes code to predict the unsteady transitional flow on a turbomachinery blade is demonstrated. The unsteady pressure and velocity fields are in good agreement with the experimental data and the prediction from the Euler/boundary layer approach. The numerical solver was able to capture all zones (wake induced transitional strip, wake induced turbulent strip, calmed region, etc.) associated with wake induced transition in a compressor cascade. Another significant step is the assessment of k-epsilon turbulence models, including the leading edge modifications. Best results were obtained from the FLB model. The LB model predicted earlier inception of the transition and shorter transition length. Modification of the k-epsilon model was found to be essential for an accurate prediction of the unsteady transitional flow in a compressor cascade. The CH model failed to predict the unsteady transitional flow. Predicted boundary layer was turbulent from the leading edge, even with the modification of the k-epsilon model near the stagnation point. A comparison of the instantaneous shape factor, the skin friction coefficient, and the momentum thickness indicates that the Navier-Stokes predictions are reasonably good. Interaction between the upstream wake and stator wake results in shedding of unsteady vortices from the trailing edge and increased dissipation in the stator wake and, as a consequence, increased rate of decay of the stator wake. The procedure developed at Penn State should aid the designers of turbomachinery in allowing for the unsteady transitional flows due to rotor-stator interaction.

Lakshminarayana, B.↗

Satellite (Timed, Aura, Aqua) and In Situ (Meteorological Rockets, Balloons) Measurement Comparability

Measurements using the inflatable falling sphere often are requested to provide density data in support of special sounding rocket launchings into the mesosphere and thermosphere. To insure density measurements within narrow time frames and close in space, the inflatable falling sphere is launched within minutes of the major test. Sphere measurements are reliable for the most part, however, availability of these rocket systems has become more difficult and, in fact, these instruments no longer are manufactured resulting in a reduction of the meager stockpile of instruments. Sphere measurements also are used to validate remotely measured temperatures and have the advantage of measuring small-scale atmospheric features. Even so, with the dearth of remaining falling spheres perhaps it is time to consider whether the remote measurements are mature enough to stand alone. Presented are two field studies, one in 2003 from Northern Sweden and one in 2010 from the vicinity of Kwajalein Atoll that compare temperature retrievals between satellite and in situ failing spheres. The major satellite instruments employed are SABER, MLS, and AIRS. The comparisons indicate that remotely measured temperatures mimic the sphere temperature measurements quite well. The data also confirm that satellite retrievals, while not always at the exact location required for individual studies, are adaptable enough and highly useful. Although the falling sphere will provide a measurement at a specific location and time, satellites only pass a given location daily or less often. This report reveals that averaged satellite measurements can provide temperatures and densities comparable to the falling sphere.

Schmidlin, F. J.↗

Design and Performance of Micro-Spec, an Ultra Compact High-Sensitivity Far-Infrared Spectrometer for SPICA

Micro-Spec (u-Spec) is a high-performance spectrometer working in the 250-700-micrometer wavelength range, whose modules use low-loss superconducting microstrip transmission lines on a single 4-inch-diameter silicon wafer. Creating the required phase delays in transmission lines rather than free space allows such an instrument to have, in principle, the performance of a meter-scale grating spectrometer. Such a dramatic size reduction enables classes of instruments for space that would be impossible with conventional technologies. This technology can dramatically enhance the long-wavelength capability of the space infrared telescope for cosmology and astrophysics SPICA. u-Spec is analogous to a grating spectrometer. The phase retardation generated by the reflection from the grating grooves is instead produced by propagation through a transmission line. The power received by a broadband antenna is progressively divided by binary microstrip power dividers, and the required phase delays are generated by different lengths of microstrip transmission lines. by arranging these outputs along a circular focal surface, the analog of a Rowland spectrometer can he created. The procedure to optimize the Micro-Spec design is based on the stigmatization and minimization of the light path function in a two-dimensional hounded region, which results in an optimized geometry arrangement with three stigmatic points. In addition, in order to optimize the overall efficiency of the instrument, the emitters are directed to the center of the focal surface. The electric field amplitude and phase as well as the power transmitted and absorbed throughout the region are analyzed. Measurements are planned in late summer to validate the designs.

Cataldo, Giuseppe↗

Experimental and Analytical Determination of the Geometric Far Field for Round Jets

An investigation was conducted at the NASA Glenn Research Center using a set of three round jets operating under unheated subsonic conditions to address the question: "How close is too close?" Although sound sources are distributed at various distances throughout a jet plume downstream of the nozzle exit, at great distances from the nozzle the sound will appear to emanate from a point and the inverse-square law can be properly applied. Examination of normalized sound spectra at different distances from a jet, from experiments and from computational tools, established the required minimum distance for valid far-field measurements of the sound from subsonic round jets. Experimental data were acquired in the Aeroacoustic Propulsion Laboratory at the NASA Glenn Research Center. The WIND computer program solved the Reynolds-Averaged Navier-Stokes equations for aerodynamic computations; the MGBK jet-noise prediction computer code was used to predict the sound pressure levels. Results from both the experiments and the analytical exercises indicated that while the shortest measurement arc (with radius approximately 8 nozzle diameters) was already in the geometric far field for high-frequency sound (Strouhal number >5), low-frequency sound (Strouhal number <0.2) reached the geometric far field at a measurement radius of at least 50 nozzle diameters because of its extended source distribution.

Koch, L. Danielle↗

Modeling and Energy Analysis of Refrigeration Systems in Supermarkets: A Case Study

Refrigeration systems are the single largest consumer of electricity in supermarkets, accounting for approximately 40–60% of total store electricity use. As supermarkets face increasing pressures to improve efficiency and reduce operational costs, understanding the energy performance of refrigeration systems in supermarkets has become essential. In this paper, we investigate the energy performance and patterns of the refrigeration system using field measurements in one supermarket. The compressor coefficient of performance (COP) averaged 4.5 during nighttime steady-state operation, providing a practical efficiency benchmark. We develop simple physical-based load models for the display cases in the supermarket, where the refrigeration system uses R404A. The results show the display case models achieve a good agreement with measured data, validating its utility for energy estimation during unoccupied hours. Finally, the analysis reveals several challenges of data collection systems for refrigeration systems in the supermarket industry as well.

Chen, Yimin [ORNL] (ORCID:0000000338181655)↗

Consistency of Vegetation Index Seasonality Across the Amazon Rainforest

Vegetation indices (VIs) calculated from remotely sensed reflectance are widely used tools for characterizing the extent and status of vegetated areas. Recently, however, their capability to monitor the Amazon forest phenology has been intensely scrutinized. In this study, we analyze the consistency of VIs seasonal patterns obtained from two MODIS products: the Collection 5 BRDF product (MCD43) and the Multi-Angle Implementation of Atmospheric Correction algorithm (MAIAC). The spatio-temporal patterns of the VIs were also compared with field measured leaf litterfall, gross ecosystem productivity and active microwave data. Our results show that significant seasonal patterns are observed in all VIs after the removal of view-illumination effects and cloud contamination. However, we demonstrate inconsistencies in the characteristics of seasonal patterns between different VIs and MODIS products. We demonstrate that differences in the original reflectance band values form a major source of discrepancy between MODIS VI products. The MAIAC atmospheric correction algorithm significantly reduces noise signals in the red and blue bands. Another important source of discrepancy is caused by differences in the availability of clear-sky data, as the MAIAC product allows increased availability of valid pixels in the equatorial Amazon. Finally, differences in VIs seasonal patterns were also caused by MODIS collection 5 calibration degradation. The correlation of remote sensing and field data also varied spatially, leading to different temporal offsets between VIs, active microwave and field measured data. We conclude that recent improvements in the MAIAC product have led to changes in the characteristics of spatio-temporal patterns of VIs seasonality across the Amazon forest, when compared to the MCD43 product. Nevertheless, despite improved quality and reduced uncertainties in the MAIAC product, a robust biophysical interpretation of VIs seasonality is still missing.

MAIAC↗

Evaluating the performance of a high resolution SLIM IM module integrated with an Agilent 6560 IM-QTOF MS - CRADA 413 (Final Report)

Developing new technologies that enhance our abilities to identify molecular signatures is important for the health of the public, the environment, and national security. Deploying these novel technologies requires multiple stages of validation and evaluation. This project focused on evaluating a technology developed at PNNL named Structures for Lossless Ion Manipulations (SLIM) in the context of a commercially available ion mobility mass spectrometer instrument from Agilent Technologies. There is a benefit to integrating the recently developed SLIM module into a real-world instrument platform. Data from the combined instrument will provide new standards for characterizing samples using ion mobility. These standards, related to both the drift time of ions and their resulting collisional cross sections (CCS) will be of value in characterizing samples from both humans and environmental samples, such as soil microbiomes. Because no previous instrument has been designed and implemented to simultaneously analyze the same sample in both constant and oscillating drift fields, the project will provide a new research capability that will support research in a wide variety of applications. The evaluation approach included measuring the resolving power, mass range, sensitivity, and accuracy of two SLIM variations (constant and oscillating fields). Although SLIM performed similarly to the commercial instrument in terms of sensitivity, mass range, and accuracy the resolving power of SLIM far exceeded that of the commercially-available instrument. This validation will provide critically useful data to our commercial partners which they can use to reach informed decisions on the advantages of the SLIM technology such as the outstanding performance and the low cost of manufacturing.

42 ENGINEERING↗

Validation of the ERBE scanner scene identification methodology: Analysis with Nimbus-7 ERB data

Maximum Likelihood Estimation (MLE) procedure for scene identification currently being utilized in the ERBE scanner data processing stream is applied to the Nimbus-7 ERB Scanner data for the month of June 1979. The Earth radiation budget parameters derived using MLE method show very good agreement with the values provided using sorting into angular bins (SAB) method. Results of the fields on different spatial scales are presented. A satellite zenith angle study indicates that the MLE procedure considerably improves the scene selection over the method of bispectral thresholds applied in the Nimbus-7 ERB data processing. Agreement with SAB results improved further when the observations were cut off at 75% in satellite zenith. Sampling constraints, however require that the cut-off angle should not be lower than 70%. Quantitative details about the reliability of the scene identification are also presented.

Vermury, S.↗