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At least 469 records · Page 26

NASA GRC ICME Schema for Materials Data Management: An Executive Summary

Integrated Computational Materials Engineering (ICME) has received a growing emphasis in attention due its potential impact on rapid material design, reduction in cost and time to market for new applications, and the promise of ‘fit-for-purpose’ materials coupled with recent advances in high performance computing and material characterization tools. However, for an organization to implement ICME practices for material discovery and design, a series of both technical and cultural challenges must be overcome to foster an environment that enables efficient, traceable, and predictive multiscale simulations of material behavior to enable virtual design of materials. In 2016, NASA sponsored a 2040 Vision study to define the potential 25-year future state required for integrated multiscale modeling of materials and systems to improve both the associated time and cost for aerospace and aeronautical innovation. The study envisions a cyber-physical-social ecosystem of experimentally validated computational models, tools, and techniques, along with the associated digital tapestry, that can enable rapid, optimized, ‘fit-for-purpose’ design of materials, components, and systems. A key requirement for such an ecosystem is the development of a robust information management system for materials across their full lifecycle, including material pedigree, experimental (real) and virtual (simulation) data, developed material models, and the implementation of models in engineering applications, such that process-structure-property-performance relationships can be established, thereby enabling the virtual design and optimization of materials. Such an information management system must be able to effectively capture: i) material information at each length scale; ii) test data and analysis; iii) associated material models; and iv) material and model deployment in engineering applications. These systems must also provide traceability between experimental and virtual representations of the material to ensure, when appropriate, the material digital twin is maintained. Additionally, this robust material information management system must be able to seamlessly connect with both commercial and an organization’s in-house software tools, be they analysis tools, other material databases, product lifecycle management (PLM) or simulation data management (SDM) tools, etc., such that automation of the design and analysis of a material across multiple length scales is possible. In this paper, an executive summary of the NASA GRC ICME Schema for materials information management is presented. The database best practices and schema design philosophy specifically for ICME materials data management and an overview description of each element in the schema is given, along with its associated role in an ICME workflow. Additionally, auxiliary tools that interact with the database and provide judicious automation with regards to importing, exporting, and analyzing materials data are presented. Such tools are critical to an ICME ecosystem, not only for their role in enabling optimization, but also in relieving users of tedious manual tasks, thus helping to promote adoption and combat the cultural challenges organizations face in enabling ICME.

Materials↗

POINT: Partially Observable Imitation Network for Traffic Signal Control

Smart traffic signals bring together transportation infrastructure and advance technologies to improve the mobility and efficiency of urban transportation network. Adaptive traffic signal control studies can be categorized into modeling-based approaches and learning-based approaches. In order to take advantages of these two systems, this study developed an offline-online combined Partial Observable Imitation Network for Traffic signal control (POINT). In the offline system, the traffic signal timing optimization problem was formulated as a Mixed Integer Nonlinear Programming (MINLP) given complete traffic information, i.e., second-by-second speeds and locations of all vehicles. Furthermore, the objective of MINLP is to minimize total travel delays considering individual vehicle trajectories under Connected Vehicle (CV) environment. The calculated optimal solutions under various traffic conditions were considered as the ”expert” decisions. In the online system, an imitation neural network model was developed to learn the ”expert” signal plans generated from offline system. Given partial observable traffic conditions in real time, e.g., the aggregate-level of traffic volume, the POINT model can compute the signal timing parameters in the online system. The numerical results demonstrated that the proposed method outperformed other state-of-the-art signal control method under high and unbalanced traffic demand levels in terms of reducing travel delays and queue length.

33 ADVANCED PROPULSION SYSTEMS↗

Sources of Subseasonal-To-Seasonal Predictability of Atmospheric Rivers and Precipitation in the Western United States

Atmospheric rivers (ARs) account for a large portion of winter precipitation in the western US. To evaluate the sources of AR and precipitation predictability at subseasonal-to-seasonal timescales, we examine the relationships between two climate modes, the El Niño/Southern Oscillation (ENSO) and Madden-Julian oscillation (MJO), and winter hydroclimate in the western US. Our analysis uses a large ensemble of the Weather Research and Forecast (WRF) model simulations from 1981 to 2017, facilitating the assessment of uncertainty in climate mode-AR relationship due to climate variability and short length of observations. Over the North Pacific basin, we find ENSO-related latitudinal shifts of ARs, but ENSO has little effect on basin-wide averaged AR frequency. Over the western US, there is some uncertainty in the ENSO-AR connection due to the impacts of ENSO indices and datasets. However, extreme El Niño events defined by the ENSO longitude index are consistently linked to increased landfalling AR activity. The MJO can lead to significantly enhanced or suppressed landfalling AR activity in the large-ensembles, depending on the phase of MJO and time lag, while observations are too short in length to robustly show this signal. ENSO substantially modulates the MJO-AR relationship, triggering variegated responses of landfalling ARs and AR precipitation in La Niña and El Niño years. Our findings highlight the need to evaluate concurrent effects of different climate modes on ARs and precipitation, and may shed light on a path toward more accurate subseasonal-to-seasonal prediction of ARs and precipitation over the western US.

54 ENVIRONMENTAL SCIENCES↗

Structure, function, and tethering of DNA-binding domains in σ 54 transcriptional activators

In this paper, we compare the structure, activity, and linkage of DNA-binding domains (DBDs) from σ 54 transcriptional activators and discuss how the properties of the DBDs and the linker to the neighboring domain are affected by the overall properties and requirements of the full proteins. These transcriptional activators bind upstream of specific promoters that utilize σ 54 -polymerase. Upon receiving a signal the activators assemble into hexamers, which then, through adenosine triphosphate (ATP) hydrolysis, drive a conformational change in polymerase that enables transcription initiation. We present structures of the DBDs of activators nitrogen regulatory protein C 1 (NtrC1) and Nif-like homolog 2 (Nlh2) from the thermophile Aquifex aeolicus. The structures of these domains and their relationship to other parts of the activators are discussed. These structures are compared with previously determined structures of the DBDs of NtrC4, NtrC, ZraR, and factor for inversion stimulation. The N-terminal linkers that connect the DBDs to the central domains in NtrC1 and Nlh2 were studied and found to be unstructured. Additionally, a crystal structure of full-length NtrC1 was solved, but density of the DBDs was extremely weak, further indicating that the linker between ATPase and DBDs functions as a flexible tether. Flexible linking of ATPase and DBDs is likely necessary to allow assembly of the active hexameric ATPase ring. Finally, the comparison of this set of activators also shows clearly that strong dimerization of the DBD only occurs when other domains do not dimerize strongly.

59 BASIC BIOLOGICAL SCIENCES↗

Mesoscopic two-point collective dynamics of glass-forming liquids

The collective density–density and hydrostatic pressure–pressure correlations of glass-forming liquids are spatiotemporally mapped out using molecular dynamics simulations. It is shown that the sharp rise of structural relaxation time below the Arrhenius temperature coincides with the emergence of slow, nonhydrodynamic collective dynamics on mesoscopic scales. The observed long-range, nonhydrodynamic mode is independent of wave numbers and closely coupled to the local structural dynamics. Below the Arrhenius temperature, it dominates the slow collective dynamics on length scales immediately beyond the first structural peak in contrast to the well-known behavior at high temperatures. Furthermore, these results highlight a key connection between the qualitative change in mesoscopic two-point collective dynamics and the dynamic crossover phenomenon.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A wire/extensometer method for measuring small displacements

A method has been developed for making precise point-to-point displacement measurements on critical structures under structural, thermal, or gravity loading. The technique consists of attaching the gauge to the structure at one point, and connecting it to a second point on the structure by a thin (0.25 mm) tungsten wire. The wire provides a dual function: in addition to physically connecting the gauge to a remote point, it provides a calibrating function. Tests have demonstrated that measurements can be made within a micron over a length of a meter or two, even in the presence of severe thermal shock, such as exposure to a sun gun or to a refrigerant spray.

Wilson, M. W.↗

Fourier transform infrared (FTIR) fiber optic monitoring of composites during cure in an autoclave

Real-time in situ monitoring of the chemical states of epoxy resins was investigated during cure in an autoclave using infrared evanescent spectroscopy. Fiber evanescent sensors were developed which may be sandwiched between the plies of the prepreg sample. A short length of sapphire fiber was used as the sensor cell portion of the fiber probe. Heavy metal fluoride glass optical fiber cables were designed for connecting the FTIR spectrometer to the sensor fiber within the autoclave. The sapphire fibers have outstanding mechanical thermal properties which should permit their use as an embedded link in all thermoset composites. The system is capable of operation at a temperature of 250 C for periods up to 8 hours without major changes to the fiber transmission. A discussion of the selection of suitable sensor fibers, the construction of a fiber-optic interface, and the interpretation of in situ infrared spectra of the curing process is presented.

Druy, Mark A.↗

All-metal, compact heat exchanger for space cryocoolers

This report describes the development of a high performance, all metal compact heat exchanger. The device is designed for use in a reverse Brayton cryogenic cooler which provides five watts of refrigeration at 70 K. The heat exchanger consists of a stainless steel tube concentrically assembled within a second stainless steel tube. Approximately 300 pairs of slotted copper disks and matching annular slotted copper plates are positioned along the centerline axis of the concentric tubes. Each of the disks and plates has approximately 1200 precise slots machined by means of a special electric discharge process. Positioning of the disk and plate pairs is accomplished by means of dimples in the surface of the tubes. Mechanical and thermal connections between the tubes and plate/disk pairs are made by solder joints. The heat exchanger assembly is 9 cm in diameter by 50 cm in length and has a mass of 10 kg. The predicted thermal effectiveness is greater than 0.985 at design conditions. Pressure loss at design conditions is less than 5 kPa in both fluid passages. Tests were performed on a subassembly of plates integrally soldered to two end headers. The measured thermal effectiveness of the test article exceeded predicted levels. Pressure losses were negligibly higher than predictions.

Swift, Walter L.↗

An active antenna for ELF magnetic fields

The work of Nikola Tesla, especially that directed toward world-wide electrical energy distribution via excitation of the earth-ionosphere cavity resonances, has stimulated interest in the study of these resonances. Not only are they important for their potential use in the transmission of intelligence and electrical power, they are important because they are an integral part of our natural environment. This paper describes the design of a sensitive, untuned, low noise active antenna which is uniquely suited to modern earth-ionosphere cavity resonance measurements employing fast-Fourier transform techniques for near-real-time data analysis. It capitalizes on a little known field-antenna interaction mechanism. Recently, the authors made preliminary measurements of the magnetic fields in the earth-ionosphere cavity. During the course of this study, the problem of designing an optimized ELF magnetic field sensor presented itself. The sensor would have to be small, light weight (for portable use), and capable of detecting the 5-50 Hz picoTesla-level signals generated by the natural excitations of the earth-ionosphere cavity resonances. A review of the literature revealed that past researchers had employed very large search coils, both tuned and untuned. Hill and Bostick, for example, used coils of 30,000 turns wound on high permeability cores of 1.83 m length, weighing 40 kg. Tuned coils are unsuitable for modern fast-Fourier transform data analysis techniques which require a broad spectrum input. 'Untuned' coils connected to high input impedance voltage amplifiers exhibit resonant responses at the resonant frequency determined by the coil inductance and the coil distributed winding capacitance. Also, considered as antennas, they have effective areas equal only to their geometrical areas.

Sutton, John F.↗

Centrifugal Adsorption Cartridge System

The centrifugal adsorption cartridge system (CACS) is an apparatus that recovers one or more bioproduct(s) from a dilute aqueous solution or suspension flowing from a bioreactor. The CACS can be used both on Earth in unit gravity and in space in low gravity. The CACS can be connected downstream from the bioreactor; alternatively, it can be connected into a flow loop that includes the bioreactor so that the liquid can be recycled. A centrifugal adsorption cartridge in the CACS (see figure) includes two concentric cylinders with a spiral ramp between them. The volume between the inner and outer cylinders, and between the turns of the spiral ramp is packed with an adsorbent material. The inner cylinder is a sieve tube covered with a gas-permeable, hydrophobic membrane. During operation, the liquid effluent from the bioreactor is introduced at one end of the spiral ramp, which then constrains the liquid to flow along the spiral path through the adsorbent material. The spiral ramp also makes the flow more nearly uniform than it would otherwise be, and it minimizes any channeling other than that of the spiral flow itself. The adsorbent material is formulated to selectively capture the bioproduct(s) of interest. The bioproduct(s) can then be stored in bound form in the cartridge or else eluted from the cartridge. The centrifugal effect of the spiral flow is utilized to remove gas bubbles from the liquid. The centrifugal effect forces the bubbles radially inward, toward and through the membrane of the inner cylinder. The gas-permeable, hydrophobic membrane allows the bubbles to enter the inner cylinder while keeping the liquid out. The bubbles that thus enter the cylinder are vented to the atmosphere. The spacing between the ramps determines rate of flow along the spiral, and thereby affects the air-bubble-removal efficiency. The spacing between the ramps also determines the length of the fluid path through the cartridge adsorbent, and thus affects the bioproduct-capture efficiency of the cartridge. Depending on the application, several cartridges could be connected in a serial or parallel flow arrangement. A parallel arrangement can be used to increase product-capturing and flow capacities while maintaining a low pressure drop. A serial arrangement can be used to obtain high product-capturing capacity; alternatively, series-connected cartridges can be packed with different adsorbents to capture different bioproducts simultaneously.

Gonda, Steve R.↗

MRI Evaluation of Spinal Length and Vertebral Body Angle During Loading with a Spinal Compression Harness

Weight bearing by the spinal column during upright posture often plays a role in the common problem of low back pain. Therefore, we developed a non-ferromagnetic spinal compression harness to enable MRI investigations of the spinal column during axial loading. Human subjects were fitted with a Nest and a footplate which were connected by adjustable straps to an analog load cell. MRI scans of human subjects (5 males and 1 female with age range of 27-53 yrs) during loaded and unloaded conditions were accomplished with a 1.5 Tesla GE Signa scanner. Studies of two subjects undergoing sequentially increasing spinal loads revealed significant decreases (r(sup 2) = 0.852) in spinal length between T4 and L5 culminating in a 1.5 to 2% length decrease during loading with 75% body weight. Sagittal vertebral body angles of four subjects placed under a constant 50% body weight load for one hour demonstrated increased lordotic and kyphotic curvatures. In the lumbar spine, the L2 vertebral body experienced the greatest angular change (-3 deg. to -5 deg.) in most subjects while in the thoracic spine, T4 angles increased from the unloaded state by +2 deg. to +9 deg. Overall, our studies demonstrate: 1) a progressive, although surprisingly small, decrease in spinal length with increasing load and 2) relatively large changes in spinal column angulation with 50% body weight.

Campbell, James A.↗

Pectic-AGP is a major form of Arabidopsis AGPs

As a key component in cell walls of numerous organisms ranging from green algae to higher plants, AGPs play principal roles in many biological processes such as cell-cell adhesion and regulating Ca 2+ signaling pathway as a Ca 2+ -capacitor. Consistently, AGP structures vary from species to species and from tissue to tissue. To understand the functions of AGPs, it is vital to know their structural differences relative to their location in the plant. Thus, AGPs were purified from different Arabidopsis tissues. Analyses of these AGPs demonstrated that the AGPs comprised covalently linked pectin and AGP, referred to as pectic-AGPs. Importantly, these pectic-AGPs were glycosylated with a remarkable variety of polysaccharides including homogalacturonan, rhamnogalacturonan-I, and type II arabinogalactan at different ratios and lengths. Furthermore, this result not only suggests that pectic-AGP is a major form of Arabidopsis AGPs, but also supports AGPs serve as crosslinkers covalently connecting pectins with structures tailored for tissue-specific functions.

59 BASIC BIOLOGICAL SCIENCES↗

Resolving interactions between ion-cyclotron range of frequencies heating and the scrape-off layer plasma in EAST using divertor probes

Waves in the ion-cyclotron range of frequencies (ICRF) used for tokamak heating are known to interact strongly with the scrape-off layer (SOL) plasma, potentially limiting ICRF performance. We present the effect of ICRF heating on triple-probe signals in the Experimental Advanced Superconducting Tokamak (EAST) experiment, an advanced superconducting tokamak with two ICRF antennas and 12 MW of ICRF source power in support of high-power and long-pulse operation. Applying time-resolved magnetic mapping to the divertor probe arrays enables detailed sensing of the spatial structure of the SOL modifications. We observe a sharp transition in floating potential from negative to positive over a length scale of a centimeter at a major radius just inboard of the ICRF antenna. The largest changes in floating potential are observed not for probes connecting to the active ICRF antennas but rather to the main limiter or limiters for inactive lower hybrid launchers. Ion saturation current can be greatly reduced for probes mapping just in front of an antenna. Where relevant, comparison with results from the National Spherical Torus Experiment are made. This work will provide insight into sputtering, impurity production and antenna coupling as higher ICRF power levels are attempted on EAST.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Small-angle scattering study of Aspergillus awamori glycoprotein glucoamylase

Glucoamylase from fungus Aspergillus awamori is glycoside hydrolase that catalyzes the hydrolysis of α-1,4- and α-1,6-glucosidic bonds in glucose polymers and oligomers. This glycoprotein consists of a catalytic domain and a starch-binding domain connected by an O-glycosylated polypeptide chain. The conformation of the linker, the relative arrangement of the domains, and the structure of the full-length enzyme are unknown. The structure of the recombinant glucoamylase GA1 was studied by molecular modelling and small-angle neutron scattering (SANS) methods. The experimental SANS data provide evidence that glucoamylase exists as a monomer in solution and contains a glycoside component, which makes a substantial contribution to the scattering. The model of full-length glucoamylase, which was calculated without taking into account the effect of glycosylation, is consistent with the experimental data and has a radius of gyration of 33.4 ± 0.6 Å.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Conceptual Waste Packaging Options for Deep Borehole Disposal

This report presents four concepts for packaging of radioactive waste for disposal in deep boreholes. Two of these are reference-size packages (11 inch outer diameter) and two are smaller (5 inch) for disposal of Cs/Sr capsules. All four have an assumed length of approximately 18.5 feet, which allows the internal length of the waste volume to be 16.4 feet. However, package length and volume can be scaled by changing the length of the middle, tubular section. The materials proposed for use are low-alloy steels, commonly used in the oil-and-gas industry. Threaded connections between packages, and internal threads used to seal the waste cavity, are common oilfield types. Two types of fill ports are proposed: flask-type and internal-flush. All four package design concepts would withstand hydrostatic pressure of 9,600 psi, with factor safety 2.0. The combined loading condition includes axial tension and compression from the weight of a string or stack of packages in the disposal borehole, either during lower and emplacement of a string, or after stacking of multiple packages emplaced singly. Combined loading also includes bending that may occur during emplacement, particularly for a string of packages threaded together. Flask-type packages would be fabricated and heat-treated, if necessary, before loading waste. The fill port would be narrower than the waste cavity inner diameter, so the flask type is suitable for directly loading bulk granular waste, or loading slim waste canisters (e.g., containing Cs/Sr capsules) that fit through the port. The fill port would be sealed with a tapered, threaded plug, with a welded cover plate (welded after loading). Threaded connections between packages and between packages and a drill string, would be standard drill pipe threads. The internal flush packaging concepts would use semi-flush oilfield tubing, which is internally flush but has a slight external upset at the joints. This type of tubing can be obtained with premium, low-profile threaded connections at each end. The internal-flush design would be suitable for loading waste that arrives from the originating site in weld-sealed, cylindrical canisters. Internal, tapered plugs with sealing filet welds would seal the tubing at each end. The taper would be precisely machined onto both the tubing and the plug, producing a metal-metal sealing surface that is compressed as the package is subjected to hydrostatic pressure. The lower plug would be welded in place before loading, while the upper plug would be placed and welded after loading. Conceptual Waste Packaging Options for Deep Borehole Disposal July 30, 2015 iv Threaded connections between packages would allow emplacement singly or in strings screwed together at the disposal site. For emplacement on a drill string the drill pipe would be connected directly into the top package of a string (using an adapter sub to mate with premium semi-flush tubing threads). Alternatively, for wireline emplacement the same package designs could be emplaced singly using a sub with wireline latch, on the upper end. Threaded connections on the bottom of the lowermost package would allow attachment of a crush box, instrumentation, etc.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Basic Research Needs for Dark Matter Small Projects New Initiatives (Brochure)

Only one-sixth of the matter in our Universe is made of the fundamental particles we understand. Understanding what the remaining “dark” matter is made of is one of the most important fundamental goals in modern science. It connects such disparate scientific areas as the formation of stars and galaxies, the earliest moments of our Universe, and the constituents of matter at the smallest length scales. Astronomical evidence for dark matter has built steadily for eight decades, though the elementary particles or waves that constitute dark matter remain a mystery. Recent theoretical developments have highlighted the importance of searching for dark matter particles in the range from as heavy as a single hydrogen atom to the lightest mass consistent with galactic structure (30 orders of magnitude lighter). Remarkably, small projects at the $5M–15M scale can explore key milestones throughout this range. By seizing these opportunities, we are now in a position to finally discover the nature of dark matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Basic Research Needs for Dark-Matter Small Projects New Initiatives: Report of the Department of Energy’s High Energy Physics Workshop on Dark Matter

Only one-sixth of the matter in our universe is made of the fundamental particles we understand. Understanding what the remaining “dark” matter is made of is one of the most important fundamental goals in modern science. It connects such disparate scientific areas as the formation of stars and galaxies, the earliest moments of our universe, and the constituents of matter at the smallest length scales. Astronomical evidence for dark matter has built steadily for eight decades, though the elementary particles or waves that constitute dark matter remain a mystery. Recent theoretical developments have highlighted the importance of searching for dark matter particles in the range from as heavy as a single hydrogen atom to the lightest mass consistent with galactic structure (30 orders of magnitude lighter). Remarkably, small projects at the $5M–$15M scale can explore key milestones throughout this range. By seizing these opportunities, we are now in a position to finally discover the nature of dark matter. The Particle Physics Project Prioritization Panel (P5) identified the search for dark matter as one of the five priority science drivers for the High-Energy Physics Program. The 2014 P5 report further recommended a portfolio of small projects to enable an uninterrupted flow of high-priority results. This Basic Research Needs (BRN) Report presents a program of small projects to lead to the discovery of the nature of dark matter. The program makes use of Department of Energy (DOE) facilities and infrastructure and is complementary to the ongoing Generation-2 (G2) dark matter program.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗