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At least 991 records · Page 55

SSAGES: Software Suite for Advanced General Ensemble Simulations

Molecular simulation has emerged as an essential tool for modern-day research, but obtaining proper results and making reliable conclusions from simulations requires adequate sampling of the system under consideration. To this end, a variety of methods exist in the literature that can enhance sampling considerably, and increasingly sophisticated, effective algorithms continue to be developed at a rapid pace. Implementation of these techniques, however, can be challenging for experts and non-experts alike. There is a clear need for software that provides rapid, reliable, and easy access to a wide range of advanced sampling methods, and that facilitates implementation of new techniques as they emerge. Here we present SSAGES, a publicly available Software Suite for Advanced General Ensemble Simulations designed to interface with multiple widely used molecular dynamics simulations packages. SSAGES allows facile application of a variety of enhanced sampling techniques—including adaptive biasing force, string methods, and forward flux sampling—that extract meaningful free energy and transition path data from all-atom and coarse grained simulations. A noteworthy feature of SSAGES is a user-friendly framework that facilitates further development and implementation of new methods and collective variables. In this study, the use of SSAGES is illustrated in the context of simple representative applications involving distinct methods and different collective variables that are available in the current release of the suite.

97 MATHEMATICS AND COMPUTING↗

Identifying the Root Causes of Wait States in Large-Scale Parallel Applications

Driven by growing application requirements and accelerated by current trends in microprocessor design, the number of processor cores on modern supercomputers is increasing from generation to generation. However, load or communication imbalance prevents many codes from taking advantage of the available parallelism, as delays of single processes may spread wait states across the entire machine. Moreover, when employing complex point-to-point communication patterns, wait states may propagate along far-reaching cause-effect chains that are hard to track manually and that complicate an assessment of the actual costs of an imbalance. Building on earlier work by Meira Jr. et al., we present a scalable approach that identifies program wait states and attributes their costs in terms of resource waste to their original cause. Ultimately, by replaying event traces in parallel both forward and backward, we can identify the processes and call paths responsible for the most severe imbalances even for runs with hundreds of thousands of processes.

97 MATHEMATICS AND COMPUTING↗

Control information in visual flight

The purpose of the inquiry is to determine how precisely a pilot can estimate the movements of his vehicle, and thus exercise control, during an unaided visual approach. The method is to relate changes in the forward view, due to movements along and across the approach path, to human visual thresholds and errors. The scope is restricted to effects of inclination, expansion, size, and rotation in runway features during approaches at small angles of elevation. Quantitative relations are given which provide a basis for ranking the several information mechanisms. Alignment by inclination of a ground line is found to be an accurate lateral mechanism, probably superior to the expansion mechanism. Vertical control mechanisms are complex, of questionable accuracy, and difficult to rank. The results throw some doubt on the usefulness of a runway symbol as a source of displayed information.

Naish, J. M.↗

Validation of the Aura Microwave Limb Sounder Temperature and Geopotential Height Measurements

This paper describes the retrievals algorithm used to determine temperature and height from radiance measurements by the Microwave Limb Sounder on EOS Aura. MLS is a "limbscanning" instrument, meaning that it views the atmosphere along paths that do not intersect the surface - it actually looks forwards from the Aura satellite. This means that the temperature retrievals are for a "profile" of the atmosphere somewhat ahead of the satellite. Because of the need to view a finite sample of the atmosphere, the sample spans a box about 1.5km deep and several tens of kilometers in width; the optical characteristics of the atmosphere mean that the sample is representative of a tube about 200-300km long in the direction of view. The retrievals use temperature analyses from NASA's Goddard Earth Observing System, Version 5 (GEOS-5) data assimilation system as a priori states. The temperature retrievals are somewhat deperrde~zt on these a priori states, especially in the lower stratosphere. An important part of the validation of any new dataset involves comparison with other, independent datasets. A large part of this study is concerned with such comparisons, using a number of independent space-based measurements obtained using different techniques, and with meteorological analyses. The MLS temperature data are shown to have biases that vary with height, but also depend on the validation dataset. MLS data are apparently biased slightly cold relative to correlative data in the upper troposphere and slightly warm in the middle stratosphere. A warm MLS bias in the upper stratosphere may be due to a cold bias in GEOS-5 temperatures.

Schwartz, M. J.↗

An Operational Safety and Certification Assessment of a TASAR EFB Application

This paper presents an overview of a Traffic Aware Strategic Aircrew Requests (TASAR) Electronic Flight Bag application intended to inform the pilot of trajectory improvement opportunities while en route that result in operational benefits. The results of safety analyses and a detailed review of Federal Aviation Administration (FAA) regulatory documents that establish certification and operational approval requirements are presented for TASAR. The safety analyses indicate that TASAR has a likely Failure Effects Classification of “No Effect,” and at most, is no worse than “Minor Effect.” Based on this safety assessment and the detailed review of FAA regulatory documents that determine certification and operational approval requirements, this study concludes that TASAR can be implemented in the flight deck as a Type B software application hosted on a Class 2 Portable Electronic Device (PED) Electronic Flight Bag (EFB). This implementation approach would provide a relatively low-cost path to certification and operational approval for both retrofit and forward fit implementation, while at the same time facilitating the business case for early ADS-B IN equipage. A preliminary review by FAA certification and operational approvers of the analyses presented here confirmed that the conclusions are appropriate and that TASAR will be considered a Type B application.

Koczo, Stefan↗

Methods of Attenuation Correction for Dual-Wavelength and Dual-Polarization Weather Radar Data

In writing the integral equations for the median mass diameter and number concentration, or comparable parameters of the raindrop size distribution, it is apparent that the forms of the equations for dual-polarization and dual-wavelength radar data are identical when attenuation effects are included. The differential backscattering and extinction coefficients appear in both sets of equations: for the dual-polarization equations, the differences are taken with respect to polarization at a fixed frequency while for the dual-wavelength equations, the differences are taken with respect to frequency at a fixed polarization. An alternative to the integral equation formulation is that based on the k-Z (attenuation coefficient-radar reflectivity factor) parameterization. This-technique was originally developed for attenuating single-wavelength radars, a variation of which has been applied to the TRMM Precipitation Radar data (PR). Extensions of this method have also been applied to dual-polarization data. In fact, it is not difficult to show that nearly identical equations are applicable as well to dualwavelength radar data. In this case, the equations for median mass diameter and number concentration take the form of coupled, but non-integral equations. Differences between this and the integral equation formulation are a consequence of the different ways in which attenuation correction is performed under the two formulations. For both techniques, the equations can be solved either forward from the radar outward or backward from the final range gate toward the radar. Although the forward-going solutions tend to be unstable as the attenuation out to the range of interest becomes large in some sense, an independent estimate of path attenuation is not required. This is analogous to the case of an attenuating single-wavelength radar where the forward solution to the Hitschfeld-Bordan equation becomes unstable as the attenuation increases. To circumvent this problem, the equations can be expressed in the form of a final-value problem so that the recursion begins at the far range gate and proceeds inward towards the radar. Solving the problem in this way traditionally requires estimates of path attenuation to the final gate: in the case of orthogonal linear polarizations, the attenuations at horizontal and vertical polarizations (same frequency) are required while in the dual-wavelength case, attenuations at the two frequencies (same polarization) are required.

Meneghini, R.↗

Ground-Based Remote Retrievals of Cumulus Entrainment Rates

While fractional entrainment rates for cumulus clouds have typically been derived from airborne observations, this limits the size and scope of available data sets. To increase the number of continental cumulus entrainment rate observations available for study, an algorithm for retrieving them from ground-based remote sensing observations has been developed. This algorithm, called the Entrainment Rate In Cumulus Algorithm (ERICA), uses the suite of instruments at the Southern Great Plains (SGP) site of the United States Department of Energy's Atmospheric Radiation Measurement (ARM) Climate Research Facility as inputs into a Gauss-Newton optimal estimation scheme, in which an assumed guess of the entrainment rate is iteratively adjusted through intercomparison of modeled liquid water path and cloud droplet effective radius to their observed counterparts. The forward model in this algorithm is the Explicit Mixing Parcel Model (EMPM), a cloud parcel model that treats entrainment as a series of discrete entrainment events. A quantified value for measurement uncertainty is also returned as part of the retrieval. Sensitivity testing and information content analysis demonstrate the robust nature of this method for retrieving accurate observations of the entrainment rate without the drawbacks of airborne sampling. Results from a test of ERICA on three months of shallow cumulus cloud events show significant variability of the entrainment rate of clouds in a single day and from one day to the next. The mean value of 1.06 km-¹ for the entrainment rate in this dataset corresponds well with prior observations and simulations of the entrainment rate in cumulus clouds.

Wagner, Timothy J.↗

Dual-frequency (Ka-band and G-band) radar estimates of liquid water content profiles in shallow clouds

The profile of the liquid water content (LWC) in clouds provides fundamental information for understanding the internal structure of clouds, their radiative effects, propensity to precipitate, and degree of entrainment and mixing with the surrounding environment. In principle, differential absorption techniques based on coincident dual-frequency radar reflectivity observations have the potential to provide the LWC profile. Previous differential frequency radar reflectivity (DFR) efforts were challenged by the fact that the measurable differential attenuation for small quantities of LWC is usually comparable to the system measurement error. This typically renders the retrieval impractical, as the uncertainty can become many times greater than the retrieved value itself. Theoretically, this drawback can be mitigated following two interconnected approaches: (1) increasing the frequency separation between the dual-frequency radar system to measure greater differential attenuation and (2) increasing the radar operating frequency to reduce the instrument measurement random error. Our recently developed 239 GHz radar was deployed during the Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE) along with a variety of collocated remote sensing and in situ instruments. We have combined Ka-band (35 GHz) and G-band (239 GHz) observations to retrieve the LWC from more than 100 vertical profiles of shallow clouds with typical amounts of LWC smaller than 1 g m -3 . We theoretically and experimentally demonstrate that the Ka-band and G-band pair of frequencies offers at least a 65 % relative improvement in the LWC retrieval sensitivity compared to previous works reported in the literature using lower-frequency radars. This new technique provides a missing capability to determine the LWC in the challenging low liquid water path (LWP) range (< 200 g m -2 ) and suggests a way forward to characterize microphysical and dynamical processes more precisely in shallow clouds.

54 ENVIRONMENTAL SCIENCES↗

NASA TLA workload analysis support. Volume 1: Detailed task scenarios for general aviation and metering and spacing studies

The techniques required to produce and validate six detailed task timeline scenarios for crew workload studies are described. Specific emphasis is given to: general aviation single pilot instrument flight rules operations in a high density traffic area; fixed path metering and spacing operations; and comparative workload operation between the forward and aft-flight decks of the NASA terminal control vehicle. The validation efforts also provide a cursory examination of the resultant demand workload based on the operating procedures depicted in the detailed task scenarios.

Sundstrom, J. L.↗

Acoustic Performance of the GEAE UPS Research Fan in the NASA Glenn 9- by 15-Foot Low-Speed Wind Tunnel

A model advanced turbofan was acoustically tested in the NASA Glenn 9- by 15-Foot Low-Speed Wind Tunnel in 1994. The Universal Propulsion Simulator fan was designed and manufactured by General Electric Aircraft Engines, and included an active core, as well as bypass, flow paths. The fan was tested with several rotors featuring unswept, forward-swept and aft-swept designs of both metal and composite construction. Sideline acoustic data were taken with both hard and acoustically treated walls in the flow passages. The fan was tested within an airflow at a Mach number of 0.20, which is representative of aircraft takeoff/approach conditions. All rotors showed similar aerodynamic performance. However, the composite rotors typically showed higher noise levels than did corresponding metal rotors. Aft and forward rotor sweep showed at most modest reductions of transonic multiple pure tone levels. However, rotor sweep often introduced increased rotor-stator interaction tone levels. Broadband noise was typically higher for the composite rotors and also for the aft-swept metal rotor. Transonic MPT generation was reduced with increasing fan axis angle of attack (AOA); however, higher downstream noise levels did increase with AOA resulting in higher overall Effective Perceived Noise Level.

Woodward, Richard P.↗

Classification and Prediction of RF Coupling inside A-320 and A-319 Airplanes using Feed Forward Neural Networks

Neural Network Modeling is introduced in this paper to classify and predict Interference Path Loss measurements on Airbus 319 and 320 airplanes. Interference patterns inside the aircraft are classified and predicted based on the locations of the doors, windows, aircraft structures and the communication/navigation system-of-concern. Modeled results are compared with measured data and a plan is proposed to enhance the modeling for better prediction of electromagnetic coupling problems inside aircraft.

Jafri, Madiha↗

Forward and Backscattering Measurements of Rainfall using the NASA Microwave Link

This paper will present results from a study on the feasibility of making backscatter measurements from rainfall with the NASA/Microwave Link system at Wallops Island, VA. The study entails the implementation of an FMCW radar at the Link frequencies to enable simultaneous forward and backscatter measurements from rain. The Microwave Link system has been successfully employed in the development and testing of rainfall retrieval techniques. As presently configured, the Microwave Link measures attenuation and phase-shift due to rain over a 2.3 km path between the transmitting and receiving antennas. By their very nature, these measured quantities are averaged over the propagation path. As a result, the rainfall estimates obtained from the Link data are also averaged over the propagation path. However, rainfall is a highly variable process in space (as well as time). In order to gain a more detailed knowledge of its microphysics finer spatial resolutions are required. The backscatter measurements would enable range profiling over the Link path permitting a detailed study of the rainfall process. The backscatter measurements will be used in conjunction with the forward measurements and the measurements from a ground-based network of disdrometers and rain gauges located under the propagation path to develop new microwave retrieval techniques, and to test established single-frequency and dual-frequency radar retrieval algorithms relevant to the ongoing TRMM and up coming GPM missions.

Rincon, Rafael F.↗

A Stochastic Calculus Approach to Boltzmann Transport

Traditional Monte Carlo methods for particle transport utilize source iteration to express the solution, the flux density, of the transport equation as a Neumann series. Our contribution is to show that the particle paths simulated within source iteration are associated with the adjoint flux density and the adjoint particle paths are associated with the flux density. Here, we make our assertion rigorous through the use of stochastic calculus by representing the particle path used in source iteration as a solution to a stochastic differential equation (SDE). The solution to the adjoint Boltzmann equation is then expressed in terms of the same SDE, and the solution to the Boltzmann equation is expressed in terms of the SDE associated with the adjoint particle process. An important consequence is that the particle paths used within source iteration simultaneously provide Monte Carlo samples of the flux density and adjoint flux density in the detector and source regions, respectively. The significant practical implication is that particle trajectories can be reused to obtain both forward and adjoint quantities of interest. To the best our knowledge, the reuse of entire particles paths has not appeared in the literature. Monte Carlo simulations are presented to support the reuse of the particle paths.

Boltzmann transport↗

Method and apparatus for eliminating unsuccessful tries in a search tree

A circuit switching system in an M-ary, n-cube connected network completes a best-first path from an originating node to a destination node by latching valid legs of the path as the path is being sought out. Each network node is provided with a routing hyperswitch sub-network, (HSN) connected between that node and bidirectional high capacity communication channels of the n-cube network. The sub-networks are all controlled by routing algorithms which respond to message identification headings (headers) on messages to be routed along one or more routing legs. The header includes information embedded therein which is interpreted by each sub-network to route and historically update the header. A logic circuit, available at every node, implements the algorithm and automatically forwards or back-tracks the header in the network legs of various paths until a completed path is latched.

Peterson, John C.↗

The influence of V-defects, leakage, and random alloy fluctuations on the carrier transport in red InGaN MQW LEDs

Red InGaN-based light-emitting diodes (LEDs) exhibit lower internal quantum efficiencies than violet, blue, and green InGaN LEDs due to a reduction in radiative recombination rates relative to non-radiative recombination rates as the Indium composition increases. Additionally, the larger polarization and band offset barriers between high indium content InGaN quantum wells and GaN quantum barriers increase the forward voltage. In blue and green LEDs, random alloy fluctuations and V-defects play a key role in reducing the forward voltage. When V-defects are present, either naturally or intentionally introduced, they create an alternative path for carrier injection into the MQWs through the V-defect sidewalls. This injection mechanism explains the turn-on voltages of green LEDs. However, in InGaN red LEDs, these two phenomena do not reduce the forward voltage as effectively as in blue and green LEDs, and consequently, the computed forward voltage remains significantly higher than the measured one. Furthermore, currents are observed at low voltages before the turn-on voltage (V<ℏω/e=2.0 V) of red LEDs. To address this, we introduce dislocation-induced tail states in the modeling, suggesting that leakage current through these states may play a significant role both below and at turn-on voltages. The simulation also indicates that leakage carriers below turn-on accumulate, partially diffuse in the QWs, screen the polarization-induced barrier in the low injection regime, and further reduce the forward voltage. Despite these beneficial effects, a drawback of dislocation-induced tail states is the enhanced nonradiative recombination in the dislocation line region. This study provides a detailed analysis of device injection physics in InGaN QW red LEDs and outlines potential optimization strategies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Open source Modeling and optimization tools for Planning

Open source modeling and optimization tools for planning The existing tools and software used for planning and analysis in California are either expensive, difficult to use, or not generally accessible to a large number of participants. These limitations restrict the availability of participants for larger scale energy and grid studies in the state. The proposed initiative would build upon federal and state investments in open source software, and create and improve open source tools for use in the state planning and analysis activities. Computational analysis and simulation frameworks in development at national labs and universities can be brought forward to complement existing tools. An open source platform would provide a path for novel techniques and strategies to be brought into the larger community and reviewed by a broad set of stakeholders.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Structural Analysis and Performance-Based Validation of a Composite Wing Spar

Electric-motor powered aircraft possess the ability to operate with efficient energy delivery, but lack the operational range of internal combustion engine powered aircraft. This range limitation requires the use of high aspect ratio, thin-chord wings to minimize aerodynamic drag losses, which results in highly loaded composite spar structures. High aspect ratio wings are required to increase mission durations for a NASA-developed experimental multi-rotor electric powered aircraft denoted as the Scalable Convergent Electric Propulsion Technology and Operations Research (SCEPTOR) or “X-57”. This paper examines the structural performance of the composite main wing spars to validate spar strength using ply-based laminate finite element methods. Geometric scaling of a main spar test-section was initially proposed for proof-testing but sacrificed stability. Ply-based structures modeling with local structural features was implemented as a risk-reduction methodology. Ply-based modeling was selected to augment the conventional “building block” approach to reduce risk, and leverage a “performance-based” approval processes encouraged in Federal Aviation Administration (FAA) design guidance. Therefore, ply-based laminate modeling of the full-scale main spar and forward spar shear-web attachments were subsequently undertaken to determine load path complexity with predicted flight loads. Ply-based modeling included stress concentrations and interlaminate behavior at interface locations that can be obscured in traditional finite element sizing models. Analysis of the wing spar laminate ply-based models compared with bearing test coupon performance was used to reduce future wing assembly proof-testing burden and facilitate performance-based flight hardware safety for the X-57 experimental aircraft.

Moore, James B.↗

A signal packet router for the upgrade of the Muon spectrometer at the ATLAS experiment

Here, we present the design, characterization, and production of a signal packet router for the upgrade of the ATLAS forward muon detector. The router serves as a packet switch in one of the primary trigger paths. It handles up to 12 serial inputs at 4.8 Gbps/input from on-detector electronics and outputs four 4.8 Gbps to the trigger processing circuits. In the 12-to-4 packet switching process, the input streams are decoded and synchronized to a common clock domain for data packets forwarding and NULL packets suppression. Challenges in the design include operations of multi-giga hertz serial links with low and constant latency (<100 ns) for packet routing, as well as mitigation of radiation-induced effects in the harsh radiation environment over 10 years of detector operation. The Router design has been fully characterized and demonstrated to meet all specifications. In total 256 Routers were installed in the detector. Its design concept can be used in other similar applications, particularly in a radiation environment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗