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At least 1,387 records · Page 77

Visualizing defects and pore connectivity within metal–organic frameworks by X-ray transmission tomography

Metal–Organic Frameworks (MOFs) have the potential to change the landscape of molecular separations in chemical processes owing to their ability of selectively binding molecules. Their molecular sorting properties generally rely on the micro- and meso-pore structure, as well as on the presence of coordinatively unsaturated sites that interact with the different chemical species present in the feed. In this work, we show a first-of-its-kind tomographic imaging of the crystal morphology of a metal– organic framework by means of transmission X-ray microscopy (TXM), including a detailed data reconstruction and processing approach. Corroboration with Focused Ion Beam-Scanning Electron Microscopy (FIB-SEM) images shows the potential of this strategy for further (non-destructively) assessing the inner architecture of MOF crystals. By doing this, we have unraveled the presence of large voids in the internal structure of a MIL-47(V) crystal, which are typically thought of as rather homogeneous lattices. This challenges the established opinion that hydrothermal syntheses yield relatively defect-free material and sheds further light on the internal morphology of crystals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Binocular summation and peripheral visual response time

Six males were administered a peripheral visual response time test to the onset of brief small stimuli imaged in 10-deg arc separation intervals across the dark adapted horizontal retinal meridian under both binocular and monocular viewing conditions. This was done in an attempt to verify the existence of peripheral binocular summation using a response time measure. The results indicated that from 50-deg arc right to 50-deg arc left of the line of sight binocular summation is a reasonable explanation for the significantly faster binocular data. The stimulus position by viewing eye interaction was also significant. A discussion of these and other analyses is presented along with a review of related literature.

Gilliland, K.↗

An LDA investigation of three-dimensional normal shock-boundary layer interactions in a corner

Nonintrusive, three-dimensional, measurements have been made of a normal shock wave-turbulent boundary layer interaction. The measurements were made in the corner of the test section of a continuous supersonic wind tunnel in which a normal shock wave had been stabilized. LDA, surface pressure measurement and flow visualization techniques were employed for two freestream Mach number test cases: 1.6 and 1.3. The former contained separated flow regions and a system of shock waves. The latter was found to be far less complicated. The reported results are believed to accurately define the flow physics of each case and may be used as benchmark data to verify three-dimensional computer codes.

Chriss, R. M.↗

Experimental investigation of a single flush-mounted hypermixing nozzle

The results of an experimental wind tunnel investigation of a circular supersonic jet (m sub j = 3.47) injected at a 10 degree angle into a supersonic freestream. The jet penetrates a boundary layer, which has a thickness approximately the same as the jet nozzle exit diameter. Measurements were made for nominal freestream Mach numbers of 1.6, 2.0, 2.5, and 3.0. Three jet total pressures were run at each freestream Mach number, resulting in twelve separate operating conditions. Mean data accumulated by means of static and total pressure probe instrumentation are presented at two axial stations: seven jet nozzle diameters upstream and 15 jet nozzle diameters downstream from where the centerline of the nozzle intersects the wind tunnel wall. For one condition at each freestream Mach number, the jet air was seeded with a hydrocarbon trace gas and the flow was sampled at the downstream measurement plane to quantify the mean mixing of the two streams. Surface oil flow visualization was also used to investigate the flow interaction. All results are for air-to-air mixing. The measurements indicate the presence of two pairs contra-rotating vortices. One pair follows the jet trajectory and tends to split the jet into two streams. A smaller pair, rotating in an opposite sense, develops in the near wall region. Reported results include Mach number and volume fraction distributions in the cross plane, as well as jet penetration and mixing efficiency.

Davis, David O.↗

Thermodynamics of order and randomness in dopant distributions inferred from atomically resolved imaging

Abstract Exploration of structure-property relationships as a function of dopant concentration is commonly based on mean field theories for solid solutions. However, such theories that work well for semiconductors tend to fail in materials with strong correlations, either in electronic behavior or chemical segregation. In these cases, the details of atomic arrangements are generally not explored and analyzed. The knowledge of the generative physics and chemistry of the material can obviate this problem, since defect configuration libraries as stochastic representation of atomic level structures can be generated, or parameters of mesoscopic thermodynamic models can be derived. To obtain such information for improved predictions, we use data from atomically resolved microscopic images that visualize complex structural correlations within the system and translate them into statistical mechanical models of structure formation. Given the significant uncertainties about the microscopic aspects of the material’s processing history along with the limited number of available images, we combine model optimization techniques with the principles of statistical hypothesis testing. We demonstrate the approach on data from a series of atomically-resolved scanning transmission electron microscopy images of Mo x Re 1- x S 2 at varying ratios of Mo/Re stoichiometries, for which we propose an effective interaction model that is then used to generate atomic configurations and make testable predictions at a range of concentrations and formation temperatures.

25 ENERGY STORAGE↗

The Effects of Gravity on Wrinkled Laminar Flames

The effects of gravity are significant to the dynamics of idealized unconfined open premixed flames. Moderate to low turbulence Reynolds number flames, i.e., wrinkled laminar flames, of various unconfined geometries have been used extensively for investigating fundamental processes of turbulent flame propagation and to validate theoretical models. Without the wall constraints, the flames are free to expand and interact with surrounding ambient air. The flow field in which the flame exists is determined by a coupling of burner geometry, flame orientation and the gravity field. These complex interactions raise serious questions regarding the validity of comparing the experimental data of open flames with current theoretical and numerical models that do not include the effects of gravity nor effects of the larger aerodynamic flowfield. Therefore, studies of wrinkled laminar flame in microgravity are needed for a better understanding of the role of gravity on flame characteristics such as the orientation, mean aerodynamics stretch, flame wrinkle size and burning rate. Our approach to characterize and quantify turbulent flame structures under microgravity is to exploit qualitative and quantitative flow visualization techniques coupled with video recording and computer controlled image analysis technologies. The experiments will be carried out in the 2.2 second drop tower at the NASA Lewis Research Center. The longest time scales of typical wrinkled laminar flames in the geometries considered here are in the order of 10 msec. Hence, the duration of the drop is sufficient to obtain the amount of statistical data necessary for characterize turbulent flame structures.

Kostiuk, Larry W.↗

HYPERS Software Development

Providing software support for HYPERS and creating internal tools. NASA has a long and decorated history of spaceflight innovation and achievements. The next great endeavor is NASA’s Journey to Mars, which will be achieved with the Space Launch System (SLS) and Orion capsule. Developing and testing these systems is no easy feat. Commercial-off-the-shelf (COTS) tools do not always provide enough functionality for engineers to do their job efficiently, making internal custom-made tools is necessary to meet the expected launch date. The purpose of this internship was to provide software support to the Storable Propellants and Hydraulic Systems Branch, specifically the Hypergolics Software (HYPERS) team. This included developing tools to parse unique measurements from the vehicle into the format specified by the HYPERS team. Displays were also created per requirements. Another major component of this internship was to create an intuitive interactive offline graphing application. The current tool for plotting vehicle data does not have all the functionality and features that HYPERS would like. By inputting a vehicle data file, the application plots the data based on the time range and components the user would like to view. After the graph is generated, the user is able to zoom in, pan horizontally, add comments, hover over data points, and take a snapshot of the current state of the graph. These additional features will help engineers quickly investigate the relationship between vehicle components through data visualization.

Internal Tools↗

A Traditional Look at SPE Phase 1 Surface Seismic Data: Far-Field Instruments, Measurements, and Analysis

We visually examined surface seismic data from the Source Physics Experiment (SPE) Phase-1 chemical explosions in preparation for waveform analysis and interpretation. Recording stations included far-field (near source) geophone lines, and both permanent network, reoccupied USArray, and temporary stations at local and regional distances. We found that near-source waveforms are dominated by broad band compressional (P), and band limited surface wave (Rg) (< 10 Hz) phases. Distinct, consistent shear (S) phases are difficult to observe visually even with a comprehensive bank of frequency bands. Secondary phases are indistinct at near-local distances, unlike for earthquake sources, especially at the high frequencies of interest for discrimination (e.g. 4-8 Hz), likely due to intense near surface scattering. S phases begin to emerge from the scattered background at and beyond 100 km. We identified regional Pn, Pg and Lg phases to 446 km for SPE-5. The data set is, unfortunately, plagued by poorly recorded instrument responses, or, possibly, time varying site amplification due to human interaction with sensors. Instrument response issues should be fixable, and this should be attempted to make this a truly, high-quality data set for use by the monitoring community.

58 GEOSCIENCES↗

Inter-species interconnections in acid mine drainage microbial communities

Metagenomic studies are revolutionizing our understanding of microbes in the biosphere. They have uncovered numerous proteins of unknown function in tens of essentially unstudied lineages that lack cultivated representatives. Notably, few of these microorganisms have been visualized, and even fewer have been described ultra-structurally in their essentially intact, physiologically relevant states. Here, we present cryogenic transmission electron microscope (cryo-TEM) 2D images and 3D tomographic datasets for archaeal species from natural acid mine drainage (AMD) microbial communities. Ultrastructural findings indicate the importance of microbial interconnectedness via a range of mechanisms, including direct cytoplasmic bridges and pervasive pili. The data also suggest a variety of biological structures associated with cell-cell interfaces that lack explanation. Some may play roles in inter-species interactions. Interdependences amongst the archaea may have confounded prior isolation efforts. Overall, the findings underline knowledge gaps related to archaeal cell components and highlight the likely importance of co-evolution in shaping microbial lineages.

Thermoplasmatales↗

Preserving Command Line Workflow for a Package Management System using ASCII DAG Visualization

Package managers provide ease of access to applications by removing the time-consuming and sometimes completely prohibitive barrier of successfully building, installing, and maintaining the software for a system. A package dependency contains dependencies between all packages required to build and run the target software. Package management system developers, package maintainers, and users may consult the dependency graph when a simple listing is insufficient for their analyses. However, users working in a remote command line environment must disrupt their workflow to visualize dependency graphs in graphical programs, possibly needing to move files between devices or incur forwarding lag. Such is the case for users of Spack, an open source package management system originally developed to ease the complex builds required by supercomputing environments. To preserve the command line workflow of Spack, we develop an interactive ASCII visualization for its dependency graphs. Through interviews with Spack maintainers, we identify user goals and corresponding visual tasks for dependency graphs. We evaluate the use of our visualization through a command line-centered study, comparing it to the system's two existing approaches. We observe that despite the limitations of the ASCII representation, our visualization is preferred by participants when approached from a command line interface workflow.

97 MATHEMATICS AND COMPUTING↗

A Virtual Reality Visualization Tool for Neuron Tracing

Tracing neurons in large-scale microscopy data is crucial to establishing a wiring diagram of the brain, which is needed to understand how neural circuits in the brain process information and generate behavior. Automatic techniques often fail for large and complex datasets, and connectomics researchers may spend weeks or months manually tracing neurons using 2D image stacks. We present a design study of a new virtual reality (VR) system, developed in collaboration with trained neuroanatomists, to trace neurons in microscope scans of the visual cortex of primates. We hypothesize that using consumer-grade VR technology to interact with neurons directly in 3D will help neuroscientists better resolve complex cases and enable them to trace neurons faster and with less physical and mental strain. We discuss both the design process and technical challenges in developing an interactive system to navigate and manipulate terabyte-sized image volumes in VR. Using a number of different datasets, we demonstrate that, compared to widely used commercial software, consumer-grade VR presents a promising alternative for scientists.

97 MATHEMATICS AND COMPUTING↗

Effects of Hydrocarbon-Based Grease on Rapid Prototype Material Used for Grease Retention Shrouds

Effects of hydrocarbon-based greases on specific rapid prototype (RP) materials used to fabricate grease retention shrouds (GRS) were explored in this study. Grease retention shrouds are being considered as a way to maintain adequate grease lubrication at the gear mesh in a prototype research transmission system. Due to their design and manufacturing flexibility, rapid prototype materials were chosen for the grease retention shrouds. In order to gain a better understanding of the short and long term effects grease pose on RP materials, research was conducted on the interaction of hydrocarbon-based grease with RP materials. The materials used in this study were durable polyamide (nylon), acrylonitrile butadiene styrene (ABS), and WaterClear 10120. Testing was conducted using Mobilgrease 28 and Syn-Tech 3913G grease (gear coupling grease). These greases were selected due to their regular use with mechanical components. To investigate the effect that grease has on RP materials, the following methods were used to obtain qualitative and quantitative data: Fourier transform infrared spectroscopy (FT-IR), interference profilometer measurements, digital camera imaging, physical shape measurement, and visual observations. To record the changes in the RP materials due to contact with the grease, data was taken before and after the grease application. Results showed that the WaterClear 10120 RP material provided the best resistance to grease penetration as compared to nylon and ABS RP materials. The manufacturing process, and thus resulting surface conditions of the RP material, played a key role in the grease penetration properties and resilience of these materials.

Zakrajsek, Andrew J.↗

Sweeping Jet Optimization Studies

Progress on experimental efforts to optimize sweeping jet actuators for active flow control (AFC) applications with large adverse pressure gradients is reported. Three sweeping jet actuator configurations, with the same orifice size but di↵erent internal geometries, were installed on the flap shoulder of an unswept, NACA 0015 semi-span wing to investigate how the output produced by a sweeping jet interacts with the separated flow and the mechanisms by which the flow separation is controlled. For this experiment, the flow separation was generated by deflecting the wing's 30% chord trailing edge flap to produce an adverse pressure gradient. Steady and unsteady pressure data, Particle Image Velocimetry data, and force and moment data were acquired to assess the performance of the three actuator configurations. The actuator with the largest jet deflection angle, at the pressure ratios investigated, was the most efficient at controlling flow separation on the flap of the model. Oil flow visualization studies revealed that the flow field controlled by the sweeping jets was more three-dimensional than expected. The results presented also show that the actuator spacing was appropriate for the pressure ratios examined.

Melton, LaTunia Pack↗

Pole Figure Explorer v. 1.8

This software is employed for 3D visualization of X-ray diffraction (XRD) data with functionality for slicing, reorienting, isolating and plotting of 2D color contour maps and 3D renderings of large datasets. The program makes use of the multidimensionality of textured XRD data where diffracted intensity is not constant over a given set of angular positions (as dictated by the three defined dimensional angles of phi, chi, and two-theta). Datasets are rendered in 3D with intensity as a scaler which is represented as a rainbow color scale. A GUI interface and scrolling tools along with interactive function via the mouse allow for fast manipulation of these large datasets so as to perform detailed analysis of diffraction results with full dimensionality of the diffraction space.

Van Benthem, Mark H.↗

Architecture for Web-Based Visualization of Large-Scale Energy Domains: Preprint

With the growing penetration of inverter-based distributed energy resources and increased loads through electrification, power systems analyses are becoming more important and more complex. Moreover, these analyses increasingly involve the combination of interconnected energy domains with data that are spatially and temporally increasing in scale by orders of magnitude, surpassing the capabilities of many existing analysis and decision-support systems. We present the architectural design, development, and application of a high-resolution web-based visualization environment capable of cross-domain analysis of tens of millions of energy assets, focusing on scalability and performance. Our system supports the exploration, navigation, and analysis of large data from diverse domains such as electrical transmission and distribution systems, mobility and electric vehicle charging networks, communications networks, cyber assets, and other supporting infrastructure. We evaluate this system across multiple use cases, describing the capabilities and limitations of a web-based approach for high-resolution energy system visualizations.

grid modernization↗

Fundamental Impact of Humidity on SOFC Cathode ORR

Although solid oxide fuel cells (SOFC) have demonstrated excellent performance, the durability of SOFCs under real working conditions is still an issue for commercial deployment. In particular cathode exposure to atmospheric air contaminants, such as humidity, can result in long-term performance degradation issues. Therefore, a fundamental understanding of the interaction between water molecules and cathodes is essential to resolve this issue and further enhance cathode durability. In order to study the effects of humidity on the oxygen reduction reaction (ORR), we used in-situ 18 O isotope exchange techniques to probe the exchange of water with two of themost common SOFC cathode materials, (La 0.8 Sr 0.2 ) 0.95 MnO 3±δ (LSM) and La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3-δ (LSCF). In this experiment, heavy water, D 2 O (with a mass/charge ratio of m/z = 20), is used to avoid the overlapping of H 2 O and the 18 O 2 cracking fraction, which both provide a peak at m/z = 18. A series of temperature programmed isotope exchange measurements were performed to comprehensively study the interaction of water with the cathode surface as a function of temperature, oxygen partial pressure, and water vapor concentration. The results suggest that water and O 2 share the same surface exchange sites, leading to competitive adsorption. Our findings show that water prefers to exchange with LSCF at lower temperatures, around 300–450°C. For LSM, O 2 is more favorable than water to be adsorbed on the surface and the presence of O 2 limits water exchange. The experimental data are summarized in a Temperature-PO 2 diagram to help visualize how the exchange of water on each material depends on the operating conditions.

30 DIRECT ENERGY CONVERSION↗

Using Multi-Scale Modeling Systems and Satellite Data to Study the Precipitation Processes

In recent years, exponentially increasing computer power has extended Cloud Resolving Model (CRM) integrations from hours to months, the number of computational grid points from less than a thousand to close to ten million. Three-dimensional models are now more prevalent. Much attention is devoted to precipitating cloud systems where the crucial 1-km scales are resolved in horizontal domains as large as 10,000 km in two-dimensions, and 1,000 x 1,000 km2 in three-dimensions. Cloud resolving models now provide statistical information useful for developing more realistic physically based parameterizations for climate models and numerical weather prediction models. It is also expected that NWP and mesoscale model can be run in grid size similar to cloud resolving model through nesting technique. Recently, a multi-scale modeling system with unified physics was developed at NASA Goddard. It consists of (l) a cloud-resolving model (Goddard Cumulus Ensemble model, GCE model), (2) a regional scale model (a NASA unified weather research and forecast, WRF), (3) a coupled CRM and global model (Goddard Multi-scale Modeling Framework, MMF), and (4) a land modeling system. The same microphysical processes, long and short wave radiative transfer and land processes and the explicit cloud-radiation, and cloud-land surface interactive processes are applied in this multi-scale modeling system. This modeling system has been coupled with a multi-satellite simulator to use NASA high-resolution satellite data to identify the strengths and weaknesses of cloud and precipitation processes simulated by the model. In this talk, the recent developments and applications of the multi-scale modeling system will be presented. In particular, the results from using multi-scale modeling system to study the precipitating systems and hurricanes/typhoons will be presented. The high-resolution spatial and temporal visualization will be utilized to show the evolution of precipitation processes. Also how to use of the multi-satellite simulator tqimproy~ precipitation processes will be discussed.

Tao, Wei-Kuo↗

A technical framework to describe occupant behavior for building energy simulations

Green buildings that fail to meet expected design performance criteria indicate that technology alone does not guarantee high performance. Human influences are quite often simplified and ignored in the design, construction, and operation of buildings. Energy-conscious human behavior has been demonstrated to be a significant positive factor for improving the indoor environment while reducing the energy use of buildings. In our study we developed a new technical framework to describe energy-related human behavior in buildings. The energy-related behavior includes accounting for individuals and groups of occupants and their interactions with building energy services systems, appliances and facilities. The technical framework consists of four key components: i. the drivers behind energy-related occupant behavior, which are biological, societal, environmental, physical, and economical in nature ii. the needs of the occupants are based on satisfying criteria that are either physical (e.g. thermal, visual and acoustic comfort) or non-physical (e.g. entertainment, privacy, and social reward) iii. the actions that building occupants perform when their needs are not fulfilled iv. the systems with which an occupant can interact to satisfy their needs The technical framework aims to provide a standardized description of a complete set of human energy-related behaviors in the form of an XML schema. For each type of behavior (e.g., occupants opening/closing windows, switching on/off lights etc.) we identify a set of common behaviors based on a literature review, survey data, and our own field study and analysis. Stochastic models are adopted or developed for each type of behavior to enable the evaluation of the impact of human behavior on energy use in buildings, during either the design or operation phase. We will also demonstrate the use of the technical framework in assessing the impact of occupancy behavior on energy saving technologies. The technical framework presented is part of our human behavior research, a 5-year program under the U.S. - China Clean Energy Research Center for Building Energy Efficiency.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗