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At least 703 records · Page 39

The 1979 Southeastern Virginia Urban Plume Study (SEV-UPS): Surface and airborne studies

The operation of two surface monitoring stations (one in downtown Norfolk, Virginia, one south of the city near the Great Dismal Swamp) and the collection of 40 hours of airborne measurements is described. Surface site measurements of ozone, oxides of nitrogen, sulfur dioxide, temperature, dew point, b sub seat, and condensation nuclei were made. Instrument calibrations, quality assurance audits, and preliminary data analysis in support of the Urban Plume Study were also made. The air pollution problems that were addressed are discussed. Data handling procedures followed for the surface stations are presented. The operation of the aircraft sampling platform is described. Aircraft sampling procedures are discussed. A preliminary descriptive analysis of the aircraft data is given along with data or plots for surface sites, airborne studies, hydrocarbon species, and instrument performance audits. Several of the aircraft flights clearly show the presence of an urban ozone plume downwind of Norfolk in the direction of the mean wind flow.

White, J. H.↗

Simulator for multilevel optimization research

A computer program designed to simulate and improve multilevel optimization techniques is described. By using simple analytic functions to represent complex engineering analyses, the simulator can generate and test a large variety of multilevel decomposition strategies in a relatively short time. This type of research is an essential step toward routine optimization of large aerospace systems. The paper discusses the types of optimization problems handled by the simulator and gives input and output listings and plots for a sample problem. It also describes multilevel implementation techniques which have value beyond the present computer program. Thus, this document serves as a user's manual for the simulator and as a guide for building future multilevel optimization applications.

Padula, S. L.↗

An experimental investigation of a low Reynolds number turbulent boundary layer subject to an adverse pressure gradient

A very low Reynolds number turbulent boundary layer subject to an adverse pressure gradient is studied. The aim is to obtain highly accurate mean-flow and turbulence measurements under conditions that can be closely related to the numerical simulations of Philippe Spalart for the purposes of CFD validation. Much of the Boundary Layer Wind Tunnel was completely rebuilt with a new wider contraction and working section which will improve compatibility with the simulations. A unique sophisticated high-speed computer controlled 3-D probe traversing mechanism was integrated into the test section. Construction of the tunnel and traverse is discussed in some detail. The hardware is now complete, and measurements are in progress. The mean-flow data indicate that a suitably two-dimensional base flow was established. Automation of the probe positioning and data acquistion have led to a decreased running time for total pressure measurements. However, the most significant benefits are expected to occur when using hot-wire probes. Calibrations can be performed automatically and there is no need to handle fragile probes when moving between measuring stations. Techniques are being developed which require sampling of the signals from moving hot-wire probes on the basis of their position in the flow. Measurements can be made in high intensity turbulence by flying probes upstream at high speed so that the relative magnitude of the turbulent velocity fluctuations are reduced. In regions, where the turbulence intensity is not too large, the probe can also be repetitively scanned across very dense spatial grids in other directions. With this technique, a complete profile can be measured in about 1/3 the time and with a spatial density about 50 times that obtainable using a stationary probe.

Watmuff, Jonathan H.↗

Atomic oxygen undercutting of LDEF aluminized Kapton multilayer insulation

Atomic oxygen undercutting is a potential threat to vulnerable spacecraft materials which have been shielded with an atomic oxygen protective coating. This is due to atomic oxygen attack of oxidizable materials at the point of microscopic defects in the protective coatings which occur during fabrication and handling, or from micrometeoroid and debris bombardment in space. An aluminized Kapton multilayer insulation sample which was flown on the leading edge of the Long Duration Exposure Facility (LDEF) was used to study low Earth orbit (LEO) directed ram oxygen undercutting. Cracks in the aluminized coatings around the vent holes provided excellent locations for evaluation of atomic oxygen undercutting. The undercutting profiles were compared to Monte Carlo models which predict LEO ram atomic oxygen attack. The shape of the undercurrent profile was found to vary with crack width, which is proportional to the number of atomic oxygen atoms entering the crack. The resulting atomic oxygen undercut profiles which occurred on LDEF indicated wide undercut cavities in spite of the fixed ram orientation. Potential causes of the observed undercutting profiles will be presented. Implications of the undercutting profiles relevant to Space Station Freedom will also be discussed.

Degroh, Kim K.↗

A geostatistical analysis of small-scale spatial variability in bacterial abundance and community structure in salt marsh creek bank sediments

Small-scale variations in bacterial abundance and community structure were examined in salt marsh sediments from Virginia's eastern shore. Samples were collected at 5 cm intervals (horizontally) along a 50 cm elevation gradient, over a 215 cm horizontal transect. For each sample, bacterial abundance was determined using acridine orange direct counts and community structure was analyzed using randomly amplified polymorphic DNA fingerprinting of whole-community DNA extracts. A geostatistical analysis was used to determine the degree of spatial autocorrelation among the samples, for each variable and each direction (horizontal and vertical). The proportion of variance in bacterial abundance that could be accounted for by the spatial model was quite high (vertical: 60%, horizontal: 73%); significant autocorrelation was found among samples separated by 25 cm in the vertical direction and up to 115 cm horizontally. In contrast, most of the variability in community structure was not accounted for by simply considering the spatial separation of samples (vertical: 11%, horizontal: 22%), and must reflect variability from other parameters (e.g., variation at other spatial scales, experimental error, or environmental heterogeneity). Microbial community patch size based upon overall similarity in community structure varied between 17 cm (vertical) and 35 cm (horizontal). Overall, variability due to horizontal position (distance from the creek bank) was much smaller than that due to vertical position (elevation) for both community properties assayed. This suggests that processes more correlated with elevation (e.g., drainage and redox potential) vary at a smaller scale (therefore producing smaller patch sizes) than processes controlled by distance from the creek bank. c2002 Federation of European Microbiological Societies. Published by Elsevier Science B.V. All rights reserved.

Non-NASA Center↗

Soft Decision Analyzer

The Soft Decision Analyzer (SDA) is an instrument that combines hardware, firmware, and software to perform realtime closed-loop end-to-end statistical analysis of single- or dual- channel serial digital RF communications systems operating in very low signal-to-noise conditions. As an innovation, the unique SDA capabilities allow it to perform analysis of situations where the receiving communication system slips bits due to low signal-to-noise conditions or experiences constellation rotations resulting in channel polarity in versions or channel assignment swaps. SDA s closed-loop detection allows it to instrument a live system and correlate observations with frame, codeword, and packet losses, as well as Quality of Service (QoS) and Quality of Experience (QoE) events. The SDA s abilities are not confined to performing analysis in low signal-to-noise conditions. Its analysis provides in-depth insight of a communication system s receiver performance in a variety of operating conditions. The SDA incorporates two techniques for identifying slips. The first is an examination of content of the received data stream s relation to the transmitted data content and the second is a direct examination of the receiver s recovered clock signals relative to a reference. Both techniques provide benefits in different ways and allow the communication engineer evaluating test results increased confidence and understanding of receiver performance. Direct examination of data contents is performed by two different data techniques, power correlation or a modified Massey correlation, and can be applied to soft decision data widths 1 to 12 bits wide over a correlation depth ranging from 16 to 512 samples. The SDA detects receiver bit slips within a 4 bits window and can handle systems with up to four quadrants (QPSK, SQPSK, and BPSK systems). The SDA continuously monitors correlation results to characterize slips and quadrant change and is capable of performing analysis even when the receiver under test is subjected to conditions where its performance degrades to high error rates (30 percent or beyond). The design incorporates a number of features, such as watchdog triggers that permit the SDA system to recover from large receiver upsets automatically and continue accumulating performance analysis unaided by operator intervention. This accommodates tests that can last in the order of days in order to gain statistical confidence in results and is also useful for capturing snapshots of rare events.

Steele, Glen↗

Measurement of Clathrate Hydrate Thermodynamic Stability in the Presence of Ammonia

There is a lack of data available for the stability of clathrate hydrates in the presence of ammonia for low-to-moderate pressures in the 0-10 MPa range. Providing such data will allow for a better understanding of natural mass transfer processes on celestial bodies like Titan and Enceladus, on which destabilization of clathrates may be responsible for replenishment of gases in the atmosphere. The experimental process utilizes a custom-built gas handling system (GHS) and a cryogenic calorimeter to allow for the efficient testing of samples under varying pressures and gas species.

clathrate hyudrates↗

Cryo-Temp Data Logger

Biological experiments on the ISS are frequently frozen at ultra-low temperatures on orbit prior to return to Earth for analysis. Recording temperatures during the freezing process, and subsequent handling to the point of post-flight processing, can provide important information of sample integrity to the scientist. The MadgeTech Cryo-Temp Data Logger has been modified for space flight applications by the Payload Development Team at Kennedy Space Center. This ultra-low temperature data logger is rated for temperatures from -86 C to +35 C with 0.1 C resolution and +/-1 C accuracy, but has been successfully tested at Kennedy Space Centers Cryogenic Lab down to -100 C. The logger provides date and time stamped temperature recordings and can be set with logging intervals from 5 seconds up to 30 minutes using the MadgeTech Data Logger Software. Data can be recorded, depending on logging interval, for greater than 90 days. The Cryo-Temp Data logger will first be flown on Space X-12 in the BRIC-Petri Dish Fixation Unit (PDFU) canister hardware, recording temperature data for a Space Life and Physical Sciences (SLPS) flight experiment. The modified Cryo-Temp Data Logger is small in size (Figure 1) and is the ideal temperature monitoring solution for any application involving independent temperature data logging.

Logger↗

Performing Probabilistic Risk Assessment Through RAVEN

The Reactor Analysis and Virtual control ENviroment (RAVEN) code is a software tool that acts as the control logic driver and post-processing engine for the newly developed Thermal-Hydraulic code RELAP-7. RAVEN is now a multi-purpose Probabilistic Risk Assessment (PRA) software framework that allows dispatching different functionalities: Derive and actuate the control logic required to simulate the plant control system and operator actions (guided procedures), allowing on-line monitoring/controlling in the Phase Space Perform both Monte-Carlo sampling of random distributed events and Dynamic Event Tree based analysis Facilitate the input/output handling through a Graphical User Interface (GUI) and a post-processing data mining module

99 GENERAL AND MISCELLANEOUS↗

Subtask 4.27 - Evaluation of the Multielement Sorbent Trap (MEST) Method at an Illinois Coal-Fired Plant

Owners of fossil fuel-fired power plants face the challenge of measuring stack emissions of trace metals and acid gases at much lower levels than in the past as a result of increasingly stringent regulations. In the United States, the current reference methods for trace metals and halogens are wet-chemistry methods, U.S. Environmental Protection Agency (EPA) Methods 29 and 26 or 26A, respectively. As a possible alternative to the EPA methods, the Energy & Environmental Research Center (EERC) has developed a novel multielement sorbent trap (MEST) method to be used to sample for trace elements and/or halogens. Sorbent traps offer a potentially advantageous alternative to the existing sampling methods, as they are simpler to use and do not require expensive, breakable glassware or handling and shipping of hazardous reagents. Field tests comparing two sorbent trap applications (MEST-H for hydrochloric acid and MEST-M for trace metals) with the reference methods were conducted at two power plant units fueled by Illinois Basin bituminous coal. For hydrochloric acid, MEST measured concentrations comparable to EPA Method 26A at two power plant units, one with and one without a wet flue gas desulfurization scrubber. MEST-H provided lower detection limits for hydrochloric acid than the reference method. Results from a dry stack unit had better comparability between methods than results from a wet stack unit. This result was attributed to the very low emissions in the latter unit, as well as the difficulty of sampling in a saturated flue gas. Based on these results, the MEST-H sorbent traps appear to be a good candidate to serve as an alternative to Method 26A (or 26). For metals, the MEST trap gave lower detection limits compared to EPA Method 29 and produced comparable data for antimony, arsenic, beryllium, cobalt, manganese, selenium, and mercury for most test runs. However, the sorbent material produced elevated blanks for cadmium, nickel, lead, and chromium at levels that would interfere with accurate measurement at U.S. hazardous air pollutant emission limits for existing coal-fired power plant units. Longer sampling times employed during this test program did appear to improve comparative results for these metals. Although the sorbent contribution to the sample was reduced through improved trap design, additional research is still needed to explore lower-background materials before the MEST-M application can be considered as a potential alternative method for all of the trace metals. This subtask was funded through the EERC–U.S. Department of Energy Joint Program on Research and Development for Fossil Energy-Related Resources Cooperative Agreement No. DE-FC26-08NT43291. Nonfederal funding was provided by the Electric Power Research Institute, the Illinois Clean Coal Institute, Southern Illinois Power Company, and the Center for Air Toxic Metals Affiliates Program.

Pavlish, John↗

Droplet actuator analyzer with cartridge

A droplet actuator with cartridge is provided. According to one embodiment, a sample analyzer is provided and includes an analyzer unit comprising electronic or optical receiving means, a cartridge comprising self-contained droplet handling capabilities, and a wherein the cartridge is coupled to the analyzer unit by a means which aligns electronic and/or optical outputs from the cartridge with electronic or optical receiving means on the analyzer unit. According to another embodiment, a sample analyzer is provided and includes a sample analyzer comprising a cartridge coupled thereto and a means of electrical interface and/or optical interface between the cartridge and the analyzer, whereby electrical signals and/or optical signals may be transmitted from the cartridge to the analyzer.

Smith, Gregory F.↗

Large Scale Caching and Streaming of Training Data for Online Deep Learning

The training of deep neural network models on large data remains a difficult problem, despite progress towards scalable techniques. In particular, there is a mismatch between the random but predetermined order in which AI flows select training samples and the streaming I/O patterns for which traditional HPC data storage (e.g., parallel file systems) are designed. In addition, as more data are obtained, it is feasible neither simply to train learning models incrementally, due to catastrophic forgetting (i.e., bias towards new samples), nor to train frequently from scratch, due to prohibitive time and/or resource constraints. In this paper, we study data management techniques that combine caching and streaming with rehearsal support in order to enable efficient access to training samples in both offline training and continual learning. We revisit state-of-art streaming approaches based on data pipelines that transparently handle prefetching, caching, shuffling, and data augmentation, and discuss the challenges and opportunities that arise when combining these methods with data-parallel training techniques. We also report on preliminary experiments that evaluate the I/O overheads involved in accessing the training samples from a parallel file system (PFS) under several concurrency scenarios, highlighting the impact of the PFS on the design of the data pipelines.

data pipelines↗

Field-deployable, nano-sensing approach for real-time detection of free mercury, speciation and quantification in surface stream waters and groundwater samples at the U.S. Department of Energy contaminated sites

The detrimental effects on human health caused by long-term exposure to trace contamination of toxic metals have been documented in numerous epidemiological and toxicological studies. The fact that metals are non-biodegradable and accumulate in the food chain poses a severe threat to the environment and human health. Their monitoring in drinking water, aquatic ecosystems, food and biological fluids samples is then essential for global sustainability. While research efforts employing established methodology continue to advance conceptual/computational models of contaminant behavior, the increasing awareness and public concern with environmental and occupational exposure to toxic metals calls for sensing devices capable to handle on-site elemental analysis in short analysis time. Field analysis with potable methodology prevents unnecessary scrutiny of un-contaminated samples via laboratory-bound methods, reduces analysis cost and expedites turnaround time for decision making and remediation purposes. Of particular toxicological interest are mercury and its species. Mercury is recognized as a major environmental pollution issue. The field-portable sensor developed in this project provides a unique and valuable tool for the on-site, real-time determination of inorganic mercury in surface waters. The ability to perform on-site analysis of mercury should prove useful in remote locations with difficult accessibility. It should facilitate data collection from statistically meaningful population sizes for a better understanding of the dose-effect role and the water-soil-plant-animal-human transfer mechanisms. The acquired knowledge should benefit the development of efficient environmental remediation processes, which is extremely relevant for a globally sustainable environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Scalable molecular dynamics on CPU and GPU architectures with NAMD

NAMD is a molecular dynamics program designed for high-performance simulations of very large biological objects on CPU- and GPU-based architectures. NAMD offers scalable performance on petascale parallel supercomputers consisting of hundreds of thousands of cores, as well as on inexpensive commodity clusters commonly found in academic environments. It is written in C++ and leans on Charm++ parallel objects for optimal performance on low-latency architectures. NAMD is a versatile, multipurpose code that gathers state-of-the-art algorithms to carry out simulations in apt thermodynamic ensembles, using the widely popular CHARMM, AMBER, OPLS, and GROMOS biomolecular force fields. Here, we review the main features of NAMD that allow both equilibrium and enhanced-sampling molecular dynamics simulations with numerical efficiency. We describe the underlying concepts utilized by NAMD and their implementation, most notably for handling long-range electrostatics; controlling the temperature, pressure, and pH; applying external potentials on tailored grids; leveraging massively parallel resources in multiple-copy simulations; and hybrid quantum-mechanical/molecular-mechanical descriptions. We detail the variety of options offered by NAMD for enhanced-sampling simulations aimed at determining free-energy differences of either alchemical or geometrical transformations and outline their applicability to specific problems. Last, we discuss the roadmap for the development of NAMD and our current efforts toward achieving optimal performance on GPU-based architectures, for pushing back the limitations that have prevented biologically realistic billion-atom objects to be fruitfully simulated, and for making large-scale simulations less expensive and easier to set up, run, and analyze. NAMD is distributed free of charge with its source code at www.ks.uiuc.edu.

high-performance computing↗

Implementation and testing of the on-the-fly thermal scattering Monte Carlo sampling method for graphite and light water in MCNP6

Here, a proper treatment of thermal neutron scattering requires accounting for chemical binding through a scattering law S(α,β,T). Monte Carlo codes sample the secondary neutron energy and angle after a thermal scattering event from probability tables generated from S(α,β,T) tables at discrete temperatures, requiring a large amount of data for multiscale and multiphysics problems with detailed temperature gradients. We have previously developed a method to handle this temperature dependence on-the-fly during the Monte Carlo random walk using polynomial expansions in 1/T to directly sample the secondary energy and angle. In this paper, the on-the-fly method is implemented into MCNP6 and tested in both graphite-moderated and light water-moderated systems. The on-the-fly method is compared with the thermal ACE libraries that come standard with MCNP6, yielding good agreement with integral reactor quantities like k-eigenvalue and differential quantities like single-scatter secondary energy and angle distributions. The simulation runtimes are comparable between the two methods (on the order of 5–15% difference for the problems tested) and the on-the-fly fit coefficients only require 5–15 MB of total data storage.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

An ultra-compact, high-throughput molecular beam epitaxy growth system

We present a miniaturized molecular beam epitaxy (miniMBE) system with an outer diameter of 206 mm, optimized for flexible and high-throughput operation. The three-chamber system, used here for oxide growth, consists of a sample loading chamber, a storage chamber, and a growth chamber. The growth chamber is equipped with eight identical effusion cell ports with linear shutters, one larger port for either a multi-pocket electron beam evaporator or an oxygen plasma source, an integrated cryoshroud, retractable beam-flux monitor or quartz-crystal microbalance, reflection high energy electron diffraction, substrate manipulator, main shutter, and quadrupole mass spectrometer. The system can be combined with ultrahigh vacuum (UHV) end stations on synchrotron and neutron beamlines, or equivalently with other complex surface analysis systems, including low-temperature scanning probe microscopy systems. Substrate handling is compatible with most UHV surface characterization systems, as the miniMBE can accommodate standard surface science sample holders. We introduce the design of the system, and its specific capabilities and operational parameters, and we demonstrate the epitaxial thin film growth of magnetoelectric Cr{sub 2}O{sub 3} on c-plane sapphire and ferrimagnetic Fe{sub 3}O{sub 4} on MgO (001)

36 MATERIALS SCIENCE↗

Analysis of sparse recovery for Legendre expansions using envelope bound

We provide novel sufficient conditions for the uniform recovery of sparse Legendre expansions using ℓ 1 minimization, where the sampling points are drawn according to orthogonalization (uniform) measure. So far, conditions of the form m ≳ Θ 2 s x log factors have been relied on to determine the minimum number of samples m that guarantees successful reconstruction of s-sparse vectors when the measurement matrix is associated to an orthonormal system. However, in case of sparse Legendre expansions, the uniform bound Θ of Legendre systems is so high that these conditions are unable to provide meaningful guarantees. Here, in this paper, we present an analysis which employs the envelop bound of all Legendre polynomials instead, and prove a new recovery guarantee for s-sparse Legendre expansions, m ≳ Θs 2 x log factors, which is independent of Θ. Arguably, this is the first recovery condition established for orthonormal systems without assuming the uniform boundedness of the sampling matrix. The key ingredient of our analysis is an extension of chaining arguments, recently developed in Bourgain and Chkifa et al., to handle the envelope bound. Furthermore, our recovery condition is proved via restricted eigenvalue property, a less demanding replacement of restricted isometry property which is perfectly suited to the considered scenario. Along the way, we derive simple criteria to detect good sample sets. Our numerical tests show that sets of uniformly sampled points that meet these criteria will perform better recovery on average.

97 MATHEMATICS AND COMPUTING↗