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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Free-Energy Calculations. A Mathematical Perspective

Ion channels are pore-forming assemblies of transmembrane proteins that mediate and regulate ion transport through cell walls. They are ubiquitous to all life forms. In humans and other higher organisms they play the central role in conducting nerve impulses. They are also essential to cardiac processes, muscle contraction and epithelial transport. Ion channels from lower organisms can act as toxins or antimicrobial agents, and in a number of cases are involved in infectious diseases. Because of their important and diverse biological functions they are frequent targets of drug action. Also, simple natural or synthetic channels find numerous applications in biotechnology. For these reasons, studies of ion channels are at the forefront of biophysics, structural biology and cellular biology. In the last decade, the increased availability of X-ray structures has greatly advanced our understanding of ion channels. However, their mechanism of action remains elusive. This is because, in order to assist controlled ion transport, ion channels are dynamic by nature, but X-ray crystallography captures the channel in a single, sometimes non-native state. To explain how ion channels work, X-ray structures have to be supplemented with dynamic information. In principle, molecular dynamics (MD) simulations can aid in providing this information, as this is precisely what MD has been designed to do. However, MD simulations suffer from their own problems, such as inability to access sufficiently long time scales or limited accuracy of force fields. To assess the reliability of MD simulations it is only natural to turn to the main function of channels - conducting ions - and compare calculated ionic conductance with electrophysiological data, mainly single channel recordings, obtained under similar conditions. If this comparison is satisfactory it would greatly increase our confidence that both the structures and our computational methodologies are sufficiently accurate. Channel conductance, defined as the ratio of ionic current through the channel to applied voltage, can be calculated in MD simulations by way of applying an external electric field to the system and counting the number of ions that traverse the channel per unit time. If the current is small, a voltage significantly higher than the experimental one needs to be applied to collect sufficient statistics of ion crossing events. Then, the calculated conductance has to be extrapolated to the experimental voltage using procedures of unknown accuracy. Instead, we propose an alternative approach that applies if ion transport through channels can be described with sufficient accuracy by the one-dimensional diffusion equation in the potential given by the free energy profile and applied voltage. Then, it is possible to test the assumptions of the equation, recover the full voltage/current dependence, determine the reliability of the calculated conductance and reconstruct the underlying (equilibrium) free energy profile, all from MD simulations at a single voltage. We will present the underlying theory, model calculations that test this theory and simulations on ion conductance through a channel that has been extensively studied experimentally. To our knowledge this is the first case in which the complete, experimentally measured dependence of the current on applied voltage has been reconstructed from MD simulations.

free energy↗

Wind Retrievals under Rain for Passive Satellite Microwave Radiometers and its Applications to Hurricane Tracking

We have developed an algorithm that retrieves wind speed under rain using C-hand and X-band channels of passive microwave satellite radiometers. The spectral difference of the brightness temperature signals due to wind or rain allows to find channel combinations that are sufficiently sensitive to wind speed but little or not sensitive to rain. We &ve trained a statistical algorithm that applies under hurricane conditions and is able to measure wind speeds in hurricanes to an estimated accuracy of about 2 m/s. We have also developed a global algorithm, that is less accurate but can be applied under all conditions. Its estimated accuracy is between 2 and 5 mls, depending on wind speed and rain rate. We also extend the wind speed region in our model for the wind induced sea surface emissivity from currently 20 m/s to 40 mls. The data indicate that the signal starts to saturate above 30 mls. Finally, we make an assessment of the performance of wind direction retrievals from polarimetric radiometers as function of wind speed and rain rate

Meissner, Thomas↗

Upper bounds to error probabilities of coded systems over AWGN and fading channels

A family of upper bounds to error probabilities of coded systems on the additive white Gaussian noise channel was recently proposed by Divsalar. Their calculation depends only on the weight spectrum of the code words. We first elaborate upon these bounds to show how they can be further tightened by using numerical integration instead of a Chernoff bound, and by reducing the number of code words to be included in the bound. Next, we extend them to finding channels.

coded systems↗

PACE OCI Short-Wave Infrared Detection Assembly frequency-dependent linearity characterization and uncertainty analysis

The Ocean Color Instrument (OCI), the primary payload of the Plankton, Aerosol, Cloud, ocean Ecosystem (PACE)observatory, will collect data to monitor the health of Earth’s oceans and atmosphere. The Short-Wave Infrared(SWIR) Detection Assembly (SDA) was built and characterized by the Utah State University Space DynamicsLaboratory (SDL) and is a subsystem of OCI. The SDA measures seven bands centered at 940, 1038, 1250, 1378,1615, 2130, and 2260 nm, with standard- and high-gain varieties for the 1250 and 1615 nm bands, resulting in nine total detection configurations in the SWIR. The delivery of high-quality science data is critically dependent upon accurately characterizing the linearity of the SDA. Two metrology techniques were employed to measure the linearity and characterize the frequency-dependent linearity uncertainty of the system. The first technique used superposition linearity measurements to determine the DC linearity, and the second technique involved an oscillating small-signal response at seven frequencies to determine the frequency-dependent linearity. Discrepancies between the DC and frequency-dependent linearities constrain the uncertainty between the two. Examining the difference between these two methods for all SDA channels, we find most channels experience an uncertainty below0.2% with a worst-case measurement uncertainty of 0.31%. Averaging SDA channels with similar detectors, optical filters, and electronics to simulate the flight-like data products yields a worst-case frequency-dependence linearity uncertainty of 0.12%, demonstrating minimal frequency dependence, implying an excellent linearity knowledge.Detailed performance knowledge, including linearity performance, verifies data quality and builds confidence in the success of the PACE mission.

PACE↗

Errors in magnetic direction finding due to nonvertical lightning channels

A theory showing that errors in lightning magnetic direction finding due to nonvertical source orientations are minimized by detecting the field from the lowest possible channel section is presented. For 99 cloud-to-ground lightning channels photographed in Arizona, 45 exhibited a bottom few hundred meters within about 8 deg of the vertical, the standard deviation of the distribution of lower-channel tilt angles being about 18 deg. These experimental results, coupled with theory, suggest that if a wideband gated direction finder is used, polarization errors due to nonvertical sources can be kept less than 1 deg for lightning beyond 10 km.

Uman, M. A.↗

Dark Matter Constraints from Observations of 25 Milky Way Satellite Galaxies with the Fermi Large Area Telescope

The dwarf spheroidal satellite galaxies of the Milky Way are some of the most dark-matter-dominated objects known. Due to their proximity, high dark matter content, and lack of astrophysical backgrounds, dwarf spheroidal galaxies are widely considered to be among the most promising targets for the indirect detection of dark matter via gamma rays. Here we report on gamma ray observations of 25 Milky Way dwarf spheroidal satellite galaxies based on 4 years of Fermi Large Area Telescope (LAT) data. None of the dwarf galaxies are significantly detected in gamma rays, and we present gamma ray flux upper limits between 500MeV and 500 GeV. We determine the dark matter content of 18 dwarf spheroidal galaxies from stellar kinematic data and combine LAT observations of 15 dwarf galaxies to constrain the dark matter annihilation cross section. We set some of the tightest constraints to date on the annihilation of dark matter particles with masses between 2 GeV and 10TeV into prototypical standard model channels. We find these results to be robust against systematic uncertainties in the LAT instrument performance, diffuse gamma ray background modeling, and assumed dark matter density profile.

satellite↗

Locating Residual Wax In Coolant Channels

Neutron inspection finds deposits and defects invisible to x rays. Neutron radiography detects many low-density materials even when surrounded by larger quantities of denser materials. Materials with similar properties and densities often appear quite different when viewed by neutron radiography. Technique gives comprehensive view of hidden channels.

Guthrie, Douglas M.↗

A study of techniques for processing multispectral scanner data

A linear decision rule to reduce the time required for processing multispectral scanner data is developed. Test results are presented which justify the use of the new rule for digital processing whenever both accuracy and processing time are important. A method of evaluating the performance of the rule is also developed and applied to the problem of choosing a subset of channels. A technique used to find linear combinations of channels is described. The ability to extend signatures throughout a small area of approximately fifty square miles is tested. After preprocessing, signatures derived from the first of seven overlapping data sets are applied to all data sets. The test results show that the average probability of misclassification tends to increase with an increase in the number of data sets over which the signatures are extended.

Crane, R. B.↗

TRMM Precipitation Radar and Microwave Imager Observations of Convective and Stratiform Rain Over Land and Their Theoretical Implications

Observations of brightness temperature, Tb made over land regions by the Tropical Rainfall Measuring Mission (TRMM) Microwave Imager (TMI) radiometer have been analyzed along with the nearly simultaneous measurements of the vertical profiles of reflectivity factor, Z, made by the Precipitation Radar (PR) onboard the TRMM satellite. This analysis is performed to explore the interrelationship between the TMI and PR data in areas that are covered predominantly by convective or stratiform rain. In particular, we have compared on a scale of 20 km, average vertical profiles of Z with the averages of Tbs in the 19, 37 and 85 GHz channels. Generally, we find from these data that as Z increases, Tbs in the three channels decrease due to extinction. In order to explain physically the relationship between the Tb and Z observations, we have performed radiative transfer simulations utilizing vertical profiles of hydrometeors applicable to convective and stratiform rain regions. These profiles are constructed taking guidance from the Z observations of PR and recent LDR and ZDR measurements made by land-based polarimetric radars.

Prabhakara, C.↗

Water transport by the bacterial channel alpha-hemolysin

This study is an investigation of the ability of the bacterial channel alpha-hemolysin to facilitate water permeation across biological membranes. alpha-Hemolysin channels were incorporated into rabbit erythrocyte ghosts at varying concentrations, and water permeation was induced by mixing the ghosts with hypertonic sucrose solutions. The resulting volume decrease of the ghosts was followed by time-resolved optical absorption at pH 5, 6, and 7. The average single-channel permeability coefficient of alpha-hemolysin for water ranged between 1.3x10-12 cm/s and 1.5x10-12 cm/s, depending on pH. The slightly increased single-channel permeability coefficient at lower pH-values was attributed to an increase in the effective pore size. The activation energy of water transport through the channel was low (Ea=5.4 kcal/mol), suggesting that the properties of water inside the alpha-hemolysin channel resemble those of bulk water. This conclusion was supported by calculations based on macroscopic hydrodynamic laws of laminar water flow. Using the known three-dimensional structure of the channel, the calculations accurately predicted the rate of water flow through the channel. The latter finding also indicated that water permeation data can provide a good estimate of the pore size for large channels.

Non-NASA Center↗

A Database for Propagation Models and Conversion to C++ Programming Language

The telecommunications system design engineer generally needs the quantification of effects of the propagation medium (definition of the propagation channel) to design an optimal communications system. To obtain the definition of the channel, the systems engineer generally has a few choices. A search of the relevant publications such as the IEEE Transactions, CCIR's, NASA propagation handbook, etc., may be conducted to find the desired channel values. This method may need excessive amounts of time and effort on the systems engineer's part and there is a possibility that the search may not even yield the needed results. To help the researcher and the systems engineers, it was recommended by the conference participants of NASA Propagation Experimenters (NAPEX) XV (London, Ontario, Canada, June 28 and 29, 1991) that a software should be produced that would contain propagation models and the necessary prediction methods of most propagation phenomena. Moreover, the software should be flexible enough for the user to make slight changes to the models without expending a substantial effort in programming. In the past few years, a software was produced to fit these requirements as best as could be done. The software was distributed to all NAPEX participants for evaluation and use, the participant reactions, suggestions etc., were gathered and were used to improve the subsequent releases of the software. The existing database program is in the Microsoft Excel application software and works fine within the guidelines of that environment, however, recently there have been some questions about the robustness and survivability of the Excel software in the ever changing (hopefully improving) world of software packages.

Kantak, Anil V.↗

Numerical investigations of background pressure effects and channel erosion in the SPT-140 Hall thruster for the Psyche mission

Four SPT-140 Hall thrusters are the main components of the electric propulsion system for the Psyche mission. We employ the 2-D (r-z) code Hall2De to conduct numerical simulations of the SPT-140 with the goal of estimating erosion of the acceleration channel rings for the Psyche mission profile. The simulations are informed by direct measurements of the plasma conditions in the acceleration channel that were obtained using laser-induced fluorescence. We validate our simulation results with additional plasma measurements, wear test erosion rates, and performance data as a function of background pressure. We then make use of a series of numerical simulations to compute the progressive erosion of the channel walls, using as input parameters a profile for the Psyche mission that includes operation at 4.5, 2.5 and 1.0 kW with duration of all segments increased by a 50% margin. We find that the channel walls are not completely eroded at the end of the mission (plus 50% margin). We also observe a progressive decrease in thrust as the channel walls erode that is consistent with the wear test and flight data, with a rate of ~4.5 mN/kh for the first 2,500 h and constant thrust after that. The reasons for these thrust trends are explained.

Lenguito, Giovanni↗

Model Calculations of Solar Spectral Irradiance in the 3.7 Micron Band for Earth Remote Sensing Applications

Since the launch of the first Advanced Very High Resolution Radiometer (AVHRR) instrument aboard TIROS-N, measurements in the 3.7 micron atmospheric window have been exploited for use in cloud detection and screening, cloud thermodynamic phase and surface snow/ice discrimination, and quantitative cloud particle size retrievals. The utility of the band has led to the incorporation of similar channels on a number of existing satellite imagers and future operational imagers. Daytime observations in the band include both reflected solar and thermal emission energy. Since 3.7 micron channels are calibrated to a radiance scale (via onboard blackbodies), knowledge of the top-of-atmosphere solar irradiance in the spectral region is required to infer reflectance. Despite the ubiquity of 3.7 micron channels, absolute solar spectral irradiance data comes from either a single measurement campaign (Thekaekara et al. 1969) or synthetic spectra. In this study, we compare historical 3.7 micron band spectral irradiance data sets with the recent semi-empirical solar model of the quiet-Sun by Fontenla et al. (2006). The model has expected uncertainties of about 2 % in the 3.7 pm spectral region. We find that channel-averaged spectral irradiances using the observations reported by Thekaekara et al. are 3.2-4.1% greater than those derived from the Fontenla et al. model for MODIS and AVHRR instrument bandpasses; the Kurucz spectrum (1995) as included in the MODTRAN4 distribution, gives channel-averaged irradiances 1.2-1.5 % smaller than the Fontenla model. For the MODIS instrument, these solar irradiance uncertainties result in cloud microphysical retrievals uncertainties comparable with other fundamental reflectance error sources.

Platnick, Steven↗

Introduction of the ASGARD Code

ASGARD stands for 'Automated Selection and Grouping of events in AIA Regional Data'. The code is a refinement of the event detection method in Ugarte-Urra & Warren (2014). It is intended to automatically detect and group brightenings ('events') in the AIA EUV channels, to record event parameters, and to find related events over multiple channels. Ultimately, the goal is to automatically determine heating and cooling timescales in the corona and to significantly increase statistics in this respect. The code is written in IDL and requires the SolarSoft library. It is parallelized and can run with multiple CPUs. Input files are regions of interest (ROIs) in time series of AIA images from the JSOC cutout service (http://jsoc.stanford.edu/ajax/exportdata.html). The ROIs need to be tracked, co-registered, and limited in time (typically 12 hours).

Code development↗

Characterization of the Minimum Energy Paths and Energetics for the Reaction of Vinylidene with Acetylene

The reaction of vinylidene (CH2C) with acetylene may be an initiating reaction in soot formation. We report minimum energy paths and accurate energetics for a pathway leading to vinyl-acetylene and for a number of isomers of C4H4. The calculations use complete active space self-consistent field (CASSCF) derivative methods to characterize the stationary points and internally contacted configuration interaction (ICCI) and/or coupled cluster singles and doubles with a perturbational estimate of triple excitations (CCSD(T)) to determine the energetics. We find an entrance channel barrier of about 5 kcal/mol for the addition of vinylidene to acetylene, but no barriers above reactants for the reaction pathway leading to vinyl-acetylene.

Walch, Stephen P.↗

Characterization of the Minimum Energy Paths and Energetics for the reaction of Vinylidene with Acetylene

The reaction of vinylidene (CH2C) with acetylene may be an initiating reaction in soot formation. We report minimum energy paths and accurate energetics for a pathway leading to vinylacetylene and for a number of isomers Of C4H4. The calculations use complete active space self-consistent field (CASSCF) derivative methods to characterize the stationary points and internally contacted configuration interaction (ICCI) and/or coupled cluster singles and doubles with a perturbational estimate of triple excitations (CCSD(T)) to determine the energetics. We find an entrance channel barrier of about 5 kcal/mol for the addition of vinylidene to acetylene, but no barriers above reactants for the reaction pathway leading to vinylacetylene.

Walch, Stephen P.↗