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At least 1,279 records · Page 71

FEM R-Matrix Calculations of Electron-H2 Collisions

Electron-H2 Collisions have been studied using the finite-element R-matrix method. Our approach uses a mixed finite-element and Gaussian basis to describe the continuum electron. In the inner region, the multi-centered nature of the Gaussian basis provides an efficient representation in the regions of space near the nuclei, whereas the piecemeal and energy-independent nature of the FEM basis is particular well suited for R-matrix calculations. Fixed nuclei calculations have been carried out at 1.4 a(sub 0), the equilibrium internuclear distance of the ground state. Up to six target states are included: the X(sup 1)E+(sub g), b(sup 3)E+(sub u), a(sup 3)E+(sub g), B(sup 1)E+(sub u), c(sup 3)II(sub u), and C(sup 1)II(sub u) states, and configuration-interaction functions are used to describe the target states. The results will be compared with available theoretical and experimental data.

Huo, Winifred M.↗

Halpha Emitting Galaxies at Z ~ 0.6 in the Deep and Wide Narrow-Band Survey

We present new measurements of the Hα luminosity function (LF) and star formation rate (SFR) volume density for galaxies at z∼0.62 in the COSMOS field. Our results are part of the Deep And Wide Narrow-band Survey (DAWN), a unique infrared imaging program with large areal coverage (∼1.1 deg2 over five fields) and sensitivity (9.9 x 10(exp -18) erg cm(exp -2) s(exp -1) at 5σ). The present sample, based on a single DAWN field, contains 116 Hα emission line candidates at z∼0.62, 25% of which have spectroscopic confirmations. These candidates have been selected through the comparison of narrow and broad-band images in the infrared and through matching with existing catalogs in the COSMOS field. The dust-corrected LF is well described by a Schechter function with L* = 10 (exp 42.64 +/- 0.92) erg s (exp −1), Phi* = 10 (exp -3.320.93)Mpc(exp −3), L*Phi* = L 10(exp 39.40) 0.15 erg s(exp −1)Mpc(exp −3), and α=−1.75+/-0.09. From this LF, we calculate a SFR density of ρSFR=10(exp −1.37+/-0.08)solar mass yr(exp −1)Mpc(exp −3). We expect an additional cosmic variance uncertainty of ∼20%. Both the faint end slope and luminosity density that we derive are consistent with prior results at similar redshifts, with reduced uncertainties. We also present an analysis of these Hα emitters' sizes, which shows a direct correlation between the galaxies' sizes and their Hα emission.

Coughlin, Alicia↗

Heterosynaptic plasticity in biomembrane memristors controlled by pH

Abstract In biology, heterosynaptic plasticity maintains homeostasis in synaptic inputs during associative learning and memory, and initiates long-term changes in synaptic strengths that nonspecifically modulate different synapse types. In bioinspired neuromorphic circuits, heterosynaptic plasticity may be used to extend the functionality of two-terminal, biomimetic memristors. In this article, we explore how changes in the pH of droplet interface bilayer aqueous solutions modulate the memristive responses of a lipid bilayer membrane in the pH range 4.97–7.40. Surprisingly, we did not find conclusive evidence for pH-dependent shifts in the voltage thresholds ( V* ) needed for alamethicin ion channel formation in the membrane. However, we did observe a clear modulation in the dynamics of pore formation with pH in time-dependent, pulsed voltage experiments. Moreover, at the same voltage, lowering the pH resulted in higher steady-state currents because of increased numbers of conductive peptide ion channels in the membrane. This was due to increased partitioning of alamethicin monomers into the membrane at pH 4.97, which is below the pKa (~5.3–5.7) of carboxylate groups on the glutamate residues of the peptide, making the monomers more hydrophobic. Neutralization of the negative charges on these residues, under acidic conditions, increased the concentration of peptide monomers in the membrane, shifting the equilibrium concentrations of peptide aggregate assemblies in the membrane to favor greater numbers of larger, increasingly more conductive pores. It also increased the relaxation time constants for pore formation and decay, and enhanced short-term facilitation and depression of the switching characteristics of the device. Modulating these thresholds globally and independently of alamethicin concentration and applied voltage will enable the assembly of neuromorphic computational circuitry with enhanced functionality. Impact statement We describe how to use pH as a modulatory “interneuron” that changes the voltage-dependent memristance of alamethicin ion channels in lipid bilayers by changing the structure and dynamical properties of the bilayer. Having the ability to independently control the threshold levels for pore conduction from voltage or ion channel concentration enables additional levels of programmability in a neuromorphic system. In this article, we note that barriers to conduction from membrane-bound ion channels can be lowered by reducing solution pH, resulting in higher currents, and enhanced short-term learning behavior in the form of paired-pulse facilitation. Tuning threshold values with environmental variables, such as pH, provide additional training and learning algorithms that can be used to elicit complex functionality within spiking neural networks. Graphical abstract

36 MATERIALS SCIENCE↗

Advanced Imaging of the Left Atrium with Cardiac Magnetic Resonance: A Review of Current and Emerging Methods and Clinical Applications

Purpose of Review: The thin wall of the left atrium (LA) is difficult to visualize. The high spatial and temporal resolution of cardiac magnetic resonance (CMR) allows for the most accurate assessment of left atrial structure, function, and tissue characterization. This review will describe emerging methods used to image the LA with CMR, and will discuss associated clinical applications. Recent Findings: LA function can now be described in a dynamic fashion with feature-tracking algorithms. Novel methods have been created to augment visualization of late gadolinium enhancement (LGE) in the LA, and left atrial fibrosis can be further quantified with T1 mapping algorithms. The advancement in how we image the LA with CMR has implications in atrial fibrillation (AF) and cardiomyopathic processes. Summary: A nuanced understanding of left atrial pathology is emerging with the rapid advancement of CMR technology, which has implications in the risk stratification and treatment of several cardiovascular disease states.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

Predicting and understanding the chemical bond is one of the major challenges of computational quantum chemistry. Kohn–Sham density functional theory (KS-DFT) is the most common method, but approximate density functionals may not be able to describe systems where multiple electronic configurations are equally important. Multiconfigurational wave functions, on the other hand, can provide a detailed understanding of the electronic structures and chemical bonds of such systems. In the complete active space self-consistent field (CASSCF) method, one performs a full configuration interaction calculation in an active space consisting of active electrons and active orbitals. However, CASSCF and its variants require the selection of these active spaces. This choice is not black box; it requires significant experience and testing by the user, and thus active space methods are not considered particularly user-friendly and are employed only by a minority of quantum chemists. Our goal is to popularize these methods by making it easier to make good active space choices. Here, we present a machine learning protocol that performs an automated selection of active spaces for chemical bond dissociation calculations of main group diatomic molecules. The protocol shows high prediction performance for a given target system as long as a properly correlated system is chosen for training. Good active spaces are correctly predicted with a considerably better success rate than random guess (larger than 80% precision for most systems studied). Our automated machine learning protocol shows that a “black-box” mode is possible for facilitating and accelerating the large-scale calculations on multireference systems where single-reference methods such as KS-DFT cannot be applied.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The IRAS telescope

The IRAS telescope is described in terms of its system configuration and physical characteristics, subsystem functions and descriptions, and performance characteristics. The mission and the configuration are reviewed briefly, and the major functional components of the telescope are described, including the focal plane assembly, the optics, the electronics, the cryogenics, and the thermal control. Exploded and cross-sectional views and block diagrams are presented for the telescope system configuration, focal plane assembly, infrared subarray module, optical subsystem, infrared channel data flow, and main cryogen dewar. The telescope physical characteristics are listed. The performance characteristics are listed and discussed, including the spectral response, sensitivity, optical quality, and photometric accuracy. Relative system spectral response curves for the infrared bands are shown.

Irace, W.↗

LN2 spray droplet size measurement via ensemble diffraction technique

The size of subcooled liquified nitrogen droplets are measured with a 5 mW He-Ne laser as a function of pressure difference (delta P) across flat spray and full cone pressure atomizing nozzles. For delta P's of 3 to 30 psid, the spray sauter mean diameter (SMD) ranged between 250 to 50 microns. The pressure range tested is representative of those expected during cryogenic fluid transfer operations in space. The droplet sizes from the flat spray nozzles were greater than those from the full cone nozzle. A power function of the form, SMD varies as delta P(exp a), describes the spray SMD as a function of the delta P very well. The values of a were -0.36 for the flat spray and -0.87 for the full cone. The reduced dependence of the flat spray SMD on the delta P was probably because of: (1) the absence of a swirler that generates turbulence within the nozzle to enhance atomization, and (2) a possible increase in shearing stress resulting from the delayed atomization due to the absence of turbulence. The nitrogen quality, up to 1.5 percent is based on isenthalpic expansion, did not have a distinct and measurable effect on the spray SMD. Both bimodal and monomodal droplet size population distributions were measured. In the bimodal distribution, the frequency of the first mode was much greater than the frequency of the second mode. Also, the frequency of the second mode was low enough such that a monomodal approximation probably would give reasonable results.

Saiyed, N. H.↗

LN2 spray droplet size measurement via ensemble diffraction technique

The size of subcooled liquified nitrogen droplets are measured with a 5 mW He-Ne laser as a function of pressure difference (delta P) across flat spray and full cone pressure atomizing nozzles. For delta P's of 3 to 30 psid, the spray sauter mean diameter (SMD) ranged between 250 to 50 microns. The pressure range tested is representative of those expected during cryogenic fluid transfer operations in space. The droplet sizes from the flat spray nozzles were greater than those from the full cone nozzle. A power function of the form, SMD varies as delta P(exp a), describes the spray SMD as a function of the delta P very well. The values of a were -0.36 for the flat spray and -0.87 for the full cone. The reduced dependence of the flat spray SMD on the delta P was probably because of: (1) the absence of a swirler that generates a turbulence within the nozzle to enhance atomization, and (2) a possible increase in shearing stress resulting from the delayed atomization due to the absence of turbulence. The nitrogen quality, up to 1.5 percent is based on isenthalpic expansion, did not have a distinct and measurable effect on the spray SMD. Both bimodal and monomodal droplet size population distributions were measured. In the bimodal distribution, the frequency of the first mode was much greater than the frequency of the second mode. Also, the frequency of the second mode was low enough such that a monomodal approximation probably would give reasonable results.

Saiyed, N. H.↗

EO-1 Hyperion Reflectance Time Series at Calibration and Validation Sites: Stability and Sensitivity to Seasonal Dynamics

This study evaluated Earth Observing 1 (EO-1) Hyperion reflectance time series at established calibration sites to assess the instrument stability and suitability for monitoring vegetation functional parameters. Our analysis using three pseudo-invariant calibration sites in North America indicated that the reflectance time series are devoid of apparent spectral trends and their stability consistently is within 2.5-5 percent throughout most of the spectral range spanning the 12-plus year data record. Using three vegetated sites instrumented with eddy covariance towers, the Hyperion reflectance time series were evaluated for their ability to determine important variables of ecosystem function. A number of narrowband and derivative vegetation indices (VI) closely described the seasonal profiles in vegetation function and ecosystem carbon exchange (e.g., net and gross ecosystem productivity) in three very different ecosystems, including a hardwood forest and tallgrass prairie in North America, and a Miombo woodland in Africa. Our results demonstrate the potential for scaling the carbon flux tower measurements to local and regional landscape levels. The VIs with stronger relationships to the CO2 parameters were derived using continuous reflectance spectra and included wavelengths associated with chlorophyll content and/or chlorophyll fluorescence. Since these indices cannot be calculated from broadband multispectral instrument data, the opportunity to exploit these spectrometer-based VIs in the future will depend on the launch of satellites such as EnMAP and HyspIRI. This study highlights the practical utility of space-borne spectrometers for characterization of the spectral stability and uniformity of the calibration sites in support of sensor cross-comparisons, and demonstrates the potential of narrowband VIs to track and spatially extend ecosystem functional status as well as carbon processes measured at flux towers.

Calibration↗

Structural and Biochemical Investigation of PglF from Campylobacter jejuni Reveals a New Mechanism for a Member of the Short Chain Dehydrogenase/Reductase Superfamily

Within recent years it has become apparent that protein glycosylation is not limited to eukaryotes. Indeed, in Campylobacter jejuni, a Gram-negative bacterium, more than 60 of its proteins are known to be glycosylated. One of the sugars found in such glycosylated proteins is 2,4-diacetamido-2,4,6-trideoxy-α-d-glucopyranose, hereafter referred to as QuiNAc4NAc. The pathway for its biosynthesis, initiating with UDP-GlcNAc, requires three enzymes referred to as PglF, PglE, and PlgD. The focus of this investigation is on PglF, an NAD+-dependent sugar 4,6-dehydratase known to belong to the short chain dehydrogenase/reductase (SDR) superfamily. Specifically, PglF catalyzes the first step in the pathway, namely, the dehydration of UDP-GlcNAc to UDP-2-acetamido-2,6-dideoxy-α-d-xylo-hexos-4-ulose. Most members of the SDR superfamily contain a characteristic signature sequence of YXXXK where the conserved tyrosine functions as a catalytic acid or a base. Strikingly, in PglF, this residue is a methionine. Here we describe a detailed structural and functional investigation of PglF from C. jejuni. For this investigation five X-ray structures were determined to resolutions of 2.0 Å or better. In addition, kinetic analyses of the wild-type and site-directed variants were performed. Furthermore, on the basis of the data reported herein, a new catalytic mechanism for a SDR superfamily member is proposed that does not require the typically conserved tyrosine residue.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

MatLab Script and Functional Programming

MatLab Script and Functional Programming: MatLab is one of the most widely used very high level programming languages for scientific and engineering computations. It is very user-friendly and needs practically no formal programming knowledge. Presented here are MatLab programming aspects and not just the MatLab commands for scientists and engineers who do not have formal programming training and also have no significant time to spare for learning programming to solve their real world problems. Specifically provided are programs for visualization. The MatLab seminar covers the functional and script programming aspect of MatLab language. Specific expectations are: a) Recognize MatLab commands, script and function. b) Create, and run a MatLab function. c) Read, recognize, and describe MatLab syntax. d) Recognize decisions, loops and matrix operators. e) Evaluate scope among multiple files, and multiple functions within a file. f) Declare, define and use scalar variables, vectors and matrices.

Shaykhian, Gholam Ali↗

The Impact of Aerosols on Cloud and Precipitation Processes: Cloud-resolving Model Simulations

Cloud microphysics is inevitably affected by the smoke particle (CCN, cloud condensation nuclei) size distributions below the clouds. Therefore, size distributions parameterized as spectral bin microphysics are needed to explicitly study the effects of atmospheric aerosol concentration on cloud development, r d a U production, and rainfall rates for convective clouds. Recently, two detailed spectral-bin microphysical schemes were implemented into the Goddard Cumulus Ensembe1 (GCE) model. The formulation for the explicit spectral-bin microphysical processes is based on solving stochastic kinetic equations for the size distribution functions of water droplets (i.e., cloud droplets and raindrops), and several types of ice particles [i.e. pristine ice crystals (columnar and platelike), snow (dendrites and aggregates), graupel and frozen drops/hail]. Each type is described by a special size distribution function containing many categories (i.e. 33 bins). Atmospheric aerosols are also described using number density size-distribution functions. A spectral-bin microphysical model is very expensive from a computational point of view and has only been implemented into the 2D version of the GCE at the present time. The model is tested by studying the evolution of deep tropical clouds in the west Pacific warm pool region and in the mid-latitude continent with different concentrations of CCN: a low "c1ean"concentration and a high "dirty" concentration. In addition, differences and similarities between bulk microphysics and spectral-bin microphysical schemes will be examined and discussed.

Tao, Wei-Kuo↗

Nonlinear finite element formulation for the large displacement analysis in multibody system dynamics

A total Lagrangian finite element formulation for the deformable bodies in multibody mechanical systems that undergo finite relative rotations is developed. The deformable bodies are discretized using finite element methods. The shape functions that are used to describe the displacement field are required to include the rigid body modes that describe only large translational displacements. This does not impose any limitations on the technique because most commonly used shape functions satisfy this requirement. The configuration of an element is defined using four sets of coordinate systems: Body, Element, Intermediate element, Global. The body coordinate system serves as a unique standard for the assembly of the elements forming the deformable body. The element coordinate system is rigidly attached to the element and therefore it translates and rotates with the element. The intermediate element coordinate system, whose axes are initially parallel to the element axes, has an origin which is rigidly attached to the origin of the body coordinate system and is used to conveniently describe the configuration of the element in undeformed state with respect to the body coordinate system.

Rismantab-Sany, J.↗

A Comparison Between Orion Automated and Space Shuttle Rendezvous Techniques

The Orion spacecraft will replace the space shuttle and will be the first human spacecraft since the Apollo program to leave low earth orbit. This vehicle will serve as the cornerstone of a complete space transportation system with a myriad of mission requirements necessitating rendezvous to multiple vehicles in earth orbit, around the moon and eventually beyond . These goals will require a complex and robust vehicle that is, significantly different from both the space shuttle and the command module of the Apollo program. Historically, orbit operations have been accomplished with heavy reliance on ground support and manual crew reconfiguration and monitoring. One major difference with Orion is that automation will be incorporated as a key element of the man-vehicle system. The automated system will consist of software devoted to transitioning between events based on a master timeline. This effectively adds a layer of high level sequencing that moves control of the vehicle from one phase to the next. This type of automated control is not entirely new to spacecraft since the shuttle uses a version of this during ascent and entry operations. During shuttle orbit operations however many of the software modes and hardware switches must be manually configured through the use of printed procedures and instructions voiced from the ground. The goal of the automation scheme on Orion is to extend high level automation to all flight phases. The move towards automation represents a large shift from current space shuttle operations, and so these new systems will be adopted gradually via various safeguards. These include features such as authority-to-proceed, manual down modes, and functional inhibits. This paper describes the contrast between the manual and ground approach of the space shuttle and the proposed automation of the Orion vehicle. I will introduce typical orbit operations that are common to all rendezvous missions and go on to describe the current Orion automation architecture and contrast it with shuttle rendezvous techniques and circumstances. The shuttle rendezvous profile is timed to take approximately 3 days from orbit insertion to docking at the International Space Station (ISS). This process can be divided into 3 phases: far-field, mid-field and proximity operations. The far-field stage is characterized as the most quiescent phase. The spacecraft is usually too far to navigate using relative sensors and uses the Inertial Measurement Units (IMU s) to numerically solve for its position. The maneuvers are infrequent, roughly twice per day, and are larger than other burns in the profile. The shuttle uses this opportunity to take extensive ground based radar updates and keep high fidelity orbit states on the ground. This state is then periodically uplinked to the shuttle computers. The targeting solutions for burn maneuvers are also computed on the ground and uplinked. During the burn the crew is responsible for setting the shuttle attitude and configuring the propulsion system for ignition. Again this entire process is manually driven by both crew and ground activity. The only automatic processes that occur are associated with the real-time execution of the burn. The Orion automated functionality will seek to relieve the workload of both the crew and ground during this phase

Ruiz, Jose O,↗

Muon Borehole Detector Design for Use in 4-D Density Overburden Monitoring

The increase of atmospheric CO2 concentrations has initiated research into carbon sequestration methods. One possibility is to store CO2 in subsurface porous reservoirs. The monitoring of the injected CO2 plume is vital because escaping CO2 poses health and environmental risks. Typically, seismic reflection methods are used to determine the change in density due to the replacement of brine by CO2 in the reservoir, but this is expensive and not continuous. A potential alternative is to use cosmic muon tomography to measure density changes in the reservoir as a function of time. This paper describes the development of a muon detector that will be capable of being deployed in boreholes. The detector has the required dimensions, an angular resolution of approximately 2 degrees, and is robust. The design is based on alternating layers of scintillating rods, which can provide 4-D tomographic data to detect small changes in density at depths up to approximately 2 km. Geant4, a Monte Carlo simulation code, is being used to develop models to guide the design of the physical configuration. Preliminary testing and measurements have been performed to validate the simulation predictions and optimize the performance of the system. The simulation and preliminary experimental results are presented here.

Borehole Detector, CO¬2 Sequestration, Geant4, Muo↗

Equilibrium of magnetic fields with arbitrary interweaving of the lines of force. I - Discontinuities in the torsion

Consideration is given to the static force-free equilibrium of a magnetic field in which all of the lines of force connect without knotting between parallel planes. The field is formed by continuous deformation from an initial uniform field, and is conventiently described in terms of the scalar function psi, which is the stream function for the incompressible wrapping and interweaving of the lines of force. Local compression and expansion of the lines of force is described in terms of the scalar function Phi. Equilibrium in the field requires satisfaction of two independent equations which cannot be accomplished without the full freedom of both psi and Phi. It is shown that discontinuities in the torsional characteristics of the lines occur when psi is predetermined by an arbitrary pattern. Discontinuities in the winding pattern of the lines can lead to discontinuities in the associated current sheets.

Parker, E. N.↗

The Impact of Aerosols on Cloud and Precipitation Processes: Cloud-Resolving Model Simulations

Cloud microphysics are inevitably affected by the smoke particle (CCN, cloud condensation nuclei) size distributions below the clouds. Therefore, size distributions parameterized as spectral bin microphysics are needed to explicitly study the effects of atmospheric aerosol concentration on cloud development, rainfall production, and rainfall rates for convective clouds. Recently, two detailed spectral-bin microphysical schemes were implemented into the Goddard Cumulus Ensemble (GCE) model. The formulation for the explicit spectral-bin microphysical processes is based on solving stochastic kinetic equations for the size distribution functions of water droplets (i.e., cloud droplets and raindrops), and several types of ice particles (i.e., pristine ice crystals (columnar and plate-like), snow (dendrites and aggregates), graupel and frozen drops/hail). Each type is described by a special size distribution function containing many categories (i.e. 33 bins). Atmospheric aerosols are also described using number density size-distribution functions. A spectral-bin microphysical model is very expensive from a computational point of view and has only been implemented into the 2D version of the GCE at the present time. The model is tested by studying the evolution of deep cloud systems in the west Pacific warm pool region, in the sub-tropics (Florida) and in the mid-latitude using identical thermodynamic conditions but with different concentrations of CCN: a low 'clean' concentration and a high 'dirty' concentration.

Tao, Wei-Kuo↗

The Impact of Aerosols on Cloud and Precipitation Processes: Cloud-Resolving Model Simulations

Cloud microphysics are inevitable affected by the smoke particle (CCN, cloud condensation nuclei) size distributions below the clouds, Therefore, size distributions parameterized as spectral bin microphysics are needed to explicitly study the effect of atmospheric aerosol concentration on cloud development, rainfall production, and rainfall rates for convective clouds. Recently, a detailed spectral-bin microphysical scheme was implemented into the the Goddard Cumulus Ensemble (GCE) model. The formulation for the explicit spectral-bim microphysical processes is based on solving stochastic kinetic equations for the size distribution functions of water droplets (i.e., cloud droplets and raindrops), and several types of ice particles [i.e., pristine ice crystals (columnar and plate-like), snow (dendrites and aggregates), graupel and frozen drops/hail]. Each type is described by a special size distribution function containing many categories (i.e., 33 bins). Atmospheric aerosols are also described using number density size-distribution functions.

Tao, Wei-Kuo↗