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Generalized hydrodynamic analysis of transport through a finite open nanopore for two-component single-file systems

Single-file diffusion (SFD) in finite open nanopores is characterized by nonzero spatially varying tracer diffusion coefficients within a generalized hydrodynamic description. This contrasts with infinite SFD systems where tracer diffusivity vanishes. In standard tracer counterpermeation (TCP) analysis, two reservoirs, each containing a different species, are connected to opposite ends of a finite pore. Here, we implement an extended TCP analysis to allow the two reservoirs to contain slightly different mixtures of the two species. Then, determination of diffusion fluxes through the pore allows extraction of diffusion coefficients for near-constant partial concentrations of the two species. This analysis is applied for a lattice-gas model describing two-component SFD through a finite linear pore represented by a one-dimensional array of cells. Two types of particles, A and B, can hop only to adjacent empty cells with generally different rates, $h_A$ and $h_B$. Particles are noninteracting other than exclusion of multiple cell occupancy. Results reveal generalized hydrodynamic tracer diffusion coefficients which adopt small values inversely proportional to pore length in the pore center, but which are strongly enhanced near pore openings.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Physical and Functional Constraints on Viable Belowground Acquisition Strategies

Since their emergence onto land, terrestrial plants have developed diverse strategies to acquire soil resources. However, we lack a framework that adequately captures how these strategies vary among species. Observations from around the world now allow us to quantify the variation observed in commonly-measured fine-root traits but it is unclear how root traits are interrelated and whether they fall along an “economic” spectrum of acquisitive to conservative strategies. We assessed root trait variation and mycorrhizal colonization rates by leveraging the largest global database of fine-root traits (the Fine-Root Ecology Database; FRED). We also developed a heuristic model to explore the role of mycorrhizal fungi in defining belowground exploration efficiency across a gradient of thin- to thick-diameter roots. In support of the expectations of the “root economic spectrum,” we found that root diameter was negatively related to specific root length (Pearson’s r=-0.76). However, we found an unexpected negative relationship between root diameter and root tissue density (Pearson’s r = -0.40), and we further observed that root nitrogen content was largely unrelated to other economic traits. Mycorrhizal colonization was most closely associated with root diameter (Pearson’s r = 0.62) and was unrelated to root tissue density and root nitrogen. The heuristic model demonstrated that while thinner roots have inherently greater capacity to encounter soil resources based on higher surface area per unit mass, the potential for increased associations with mycorrhizal fungi in thicker roots, combined with greater hyphal growth, can result in equally acquisitive strategies for both thin- and thick roots. Taken together, our assessments of root trait variation, trade-offs with mycorrhizal fungi, and broader connections to root longevity allowed us to propose a series of fundamental constraints on belowground resource acquisition strategies. Physical tradeoffs based on root construction (i.e., economic traits) and functional limitations related to the capacity of a root to encounter and acquire soil resources combine to limit the two-dimensional belowground trait space. Within this trait space there remains a diversity of additional variation in root traits that facilitates a wide range of belowground resource acquisition strategies.

59 BASIC BIOLOGICAL SCIENCES↗

Simulations of Solar Jets Confined by Coronal Loops

Coronal jets are collimated, dynamic events that occur over a broad range of spatial scales in the solar corona. In the open magnetic field of coronal holes, jets form quasi-radial spires that can extend far out into the heliosphere, while in closed-field regions the jet outflows are confined to the corona. We explore the application of the embedded-bipole model to jets occurring in closed coronal loops. In this model, magnetic free energy is injected slowly by footpoint motions that introduce twist within the closed dome of the jet source region, and is released rapidly by the onset of an ideal kink-like instability. Two length scales characterize the system: the width (N) of the jet source region and the footpoint separation (L) of the coronal loop that envelops the jet source. We find that both the conditions for initiation and the subsequent dynamics are highly sensitive to the ratio L/N. The longest-lasting and most energetic jets occur along long coronal loops with large L/N ratios, and share many of the features of open-field jets, while smaller L/N ratios produce shorter-duration, less energetic jets that are affected by reflections from the far-loop footpoint. We quantify the transition between these behaviors and show that our model replicates key qualitative and quantitative aspects of both quiet Sun and active-region loop jets. We also find that there connection between the closed dome and surrounding coronal loop is very extensive: the cumulative reconnected flux at least matches the total flux beneath the dome for small L/N, and is more than double that value for large L/N.

Wyper, P. F.↗

Effect of Block Length on the Properties of Multiblock Polysulfone-Poly(diallylpiperidinium hydroxide) Anion Exchange Membranes

Research in anion exchange membranes (AEM)s has continued with the development of materials bearing base stable cations. Designing AEMs that microphase separate into hydroxide conductive, hydrophilic domains within a hydrophobic and mechanically robust matrix has been shown to be successful for improving AEM performance. A series of multiblock polysulfone-poly(diallylpiperidinium hydroxide) copolymers (PSf-PDApipOH) of similar hydrophobic/hydrophilic composition was prepared in which the molecular weight of the hydroxide conducting PDApipOH segments was varied. The variable hydrophilic segment molecular weight was designed to assess the impact on microphase separation, hydroxide conductivity, and water management. The multiblock copolymers investigated were prepared by condensation polymerization of preformed4-fluorophenyl sulfone terminated poly(diallylpiperidinium hexafluorophosphate) (PDApipPF6) oligomers with polysulfone monomers. The structure-property relationship between the molecular weight of the conductive PDApipOH segments and AEM performance was demonstrated by evaluation of the microphase separation, water uptake, and hydroxide conductivity. Further, membranes fabricated from the polysulfone-poly(diallylpiperidinium hexafluorophosphate) (PSf-PDApipPF6) multiblock copolymers were shown to form well-connected conductive domains by SAXS and atomic force microscopy experiments. The PSf-PDApipOH membranes were highly conductive with the maximum hydroxide conductivity reaching 62.9 mS∙cm -1 at 60°C and 95% relative humidity. Furthermore, it was demonstrated that the conductivity increased with increasing PDApipOH segment molecular weight.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Spatial Control Of Functional Properties Via Octahedral Modulations In Complex Oxide Superlattices

The design of distortions and rotations of the corner-connected BO6 octahedra across interfaces has emerged as an exciting platform to control electronic or ferroic behavior in ABO3 perovskite heterostructures. Here, we investigate isovalent manganite superlattices, [(La0.7Sr0.3MnO3)n/(Eu0.7Sr0.3MnO3)n]×m, as a route to spatial control over electronic bandwidth and ferromagnetism through the creation of octahedral superstructures. Electron energy loss spectroscopy confirms a uniform Mn valence state throughout the superlattices. In contrast, the presence of modulations of the MnO6 octahedral rotations along the growth direction commensurate with the superlattice period is revealed by scanning transmission electron microscopy and x-ray diffraction. We show that the Curie temperatures of the constituent materials can be systematically engineered via the octahedral superstructures leading to a modulated magnetization in samples where the superlattice period is larger than the interfacial octahedral coupling length scale, while a single magnetic transition is observed in the short period superlattices.

Environmental Molecular Sciences Laboratory↗

Electrostatic ion cyclotron, beam-plasma, and lower hybrid waves excited by an electron beam

It is pointed out that electrostatic ion cyclotron (EIC) waves have been extensively investigated in connection with both space and laboratory plasmas. The present investigation has the objective to study the excitation of low-frequency waves in a multiion plasma by electron beams. The frequencies considered range from below the lowest gyrofrequency of the heaviest ion to about the lower hybrid frequency. It is shown that electron-beam instabilities can produce peaks in the growth rate below the cyclotron frequency of each ion species if nonzero perpendicular wave number effects are included in the ion dynamics. The dispersion relations for neutralized ion Bernstein (NIB) and pure ion Bernstein (PIB) waves are considered along with an instability analysis for a cold plasma and warm electron beam, the electron beam-plasma mode, banded ion cyclotron (EIC) waves with small perpendicular wavelengths, and the growth lengths of the waves.

Singh, N.↗

Preliminary design optimization of joined-wing aircraft

The joined wing is an innovative aircraft configuration that has a its tail connected to the wing forming a diamond shape in both top and plan view. This geometric arrangement utilizes the tail for both pitch control and as a structural support for the wing. Several researchers have studied this configuration and predicted significant reductions in trimmed drag or structural weight when compared with a conventional T-tail configuration. Kroo et al. compared the cruise drag of joined wings with conventional designs of the same lifting-surface area and structural weight. This study showed an 11 percent reduction in cruise drag for the lifting system of a joined wing. Although this reduction in cruise drag is significant, a complete design study is needed before any economic savings can be claimed for a joined-wing transport. Mission constraints, such as runway length, could increase the wing area and eliminate potential drag savings. Since other design codes do not accurately represent the interaction between structures and aerodynamics for joined wings, we developed a new design code for this study. The aerodynamic and structural analyses in this study are significantly more sophisticated than those used in most conventional design codes. This sophistication was needed to predict the aerodynamic interference between the wing and tail and the stresses in the truss-like structure. This paper describes these analysis methods, discusses some problems encountered when applying the numerical optimizer NPSOL, and compares optimum joined wings with conventional aircraft on the basis of cruise drag, lifting surface weight, and direct operating cost (DOC).

Gallman, John W.↗

Monolithically interconnected GaAs solar cells: A new interconnection technology for high voltage solar cell output

Photovoltaic linear concentrator arrays can benefit from high performance solar cell technologies being developed at AstroPower. Specifically, these are the integration of thin GaAs solar cell and epitaxial lateral overgrowth technologies with the application of monolithically interconnected solar cell (MISC) techniques. This MISC array has several advantages which make it ideal for space concentrator systems. These are high system voltage, reliable low cost monolithically formed interconnections, design flexibility, costs that are independent of array voltage, and low power loss from shorts, opens, and impact damage. This concentrator solar cell will incorporate the benefits of light trapping by growing the device active layers over a low-cost, simple, PECVD deposited silicon/silicon dioxide Bragg reflector. The high voltage-low current output results in minimal 12R losses while properly designing the device allows for minimal shading and resistance losses. It is possible to obtain open circuit voltages as high as 67 volts/cm of solar cell length with existing technology. The projected power density for the high performance device is 5 kW/m for an AMO efficiency of 26% at 1 5X. Concentrator solar cell arrays are necessary to meet the power requirements of specific mission platforms and can supply high voltage power for electric propulsion systems. It is anticipated that the high efficiency, GaAs monolithically interconnected linear concentrator solar cell array will enjoy widespread application for space based solar power needs. Additional applications include remote man-portable or ultra-light unmanned air vehicle (UAV) power supplies where high power per area, high radiation hardness and a high bus voltage or low bus current are important. The monolithic approach has a number of inherent advantages, including reduced cost per interconnect and increased reliability of array connections. There is also a high potential for a large number of consumer products. Dual-use applications can include battery chargers and remote power supplies for consumer electronics products such as portable telephones/beepers, portable radios, CD players, dashboard radar detectors, remote walkway lighting, etc.

Dinetta, L. C.↗

Evaluation of the Reliability of Passive Infrared (PIR) Occupancy Sensors for Residential Indoor Lighting

Solid-state lighting (SSL) technologies have penetrated the general illumination market in recent years, largely replacing conventional technologies such as incandescent and fluorescent lighting. Most of the initial excitement about light-emitting diode (LED) sources for SSL devices focused on their energy savings potential resulting from vast improvements in source efficiency and luminous efficacy compared with conventional illumination products. More recently, the focus has shifted toward other aspects of lighting application efficiency, namely intensity effectiveness and spectral efficiency, because of the ease of controlling both the light intensity of LEDs with drive voltage and the color properties of the LED-based illuminators. To capitalize on the energy savings of increased intensity effectiveness and spectral efficiency, a lighting control system (LCS) is often used. While the current penetration of LCSs is relatively modest, it is anticipated that lighting controls (i.e., connected lighting, controls and LED and conventional lighting) could have an installed penetration as higher as 46% by the year 2035, saving an additional 1.3 quads of energy. Despite the large energy savings that can be gained from using LCSs, standard test methods for evaluating sensors employed in LCSs and reliability data of the LCSs and their components are generally lacking. The National Electrical Manufacturers Association (NEMA) developed the only standard, NEMA WD 7-2011 (R2016), to test occupancy and motion sensor performance (herein referred to as “the NEMA protocol”). In a previous U.S. Department of Energy (DOE) effort, some concerns of the NEMA protocol were identified (e.g., strict height and weight limits on test subjects, large amounts of manual effort, sometimes inconsistent repeatability). During the current work, a consistent detection length test (DLT) and a Robotic Sensor Evaluation System (RoboSES) were developed to alleviate some of these concerns. RoboSES acts as a human surrogate by using thermal pads on a mannequin and a remote-controlled mobile base to test a sensor’s field of view (FOV). This report builds on the earlier DOE efforts to understand sensor technologies used in LCSs for general illumination. Specifically, this report describes the optimization of RoboSES, characterizes and establishes test methods to assess the reliability of multiple passive infrared (PIR) sensors, and reports the findings of robustness and reliability testing on two commercial PIR sensors intended for residential applications. The information presented in this report is gained from up to 4,000 hours (hrs) of accelerated stress tests (ASTs).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

COTS MEMS Flow-Measurement Probes

As an alternative to conventional tubing instrumentation for measuring airflow, designers and technicians at Glenn Research Center have been fabricating packaging components and assembling a set of unique probes that contain commercial off-the-shelf (COTS) microelectromechanical systems (MEMS) sensor chips. MEMS sensor chips offer some compelling advantages over standard macroscopic measurement devices. MEMS sensor technology has matured through mass production and use in the automotive and aircraft industries. At present, MEMS are the devices of choice for sensors in such applications as tire-pressure monitors, altimeters, pneumatic controls, cable leak detectors, and consumer appliances. Compactness, minimality of power demand, rugged construction, and moderate cost all contribute to making MEMS sensors attractive for instrumentation for future research. Conventional macroscopic flow-measurement instrumentation includes tubes buried beneath the aerodynamic surfaces of wind-tunnel models or in wind-tunnel walls. Pressure is introduced at the opening of each such tube. The pressure must then travel along the tube before reaching a transducer that generates an electronic signal. The lengths of such tubes typically range from 20 ft (approx.= 6 m) to hundreds of feet (of the order of 100 m). The propagation of pressure signals in the tubes damps the signals considerably and makes it necessary to delay measurements until after test rigs have reached steady-state operation. In contrast, a MEMS pressure sensor that generates electronic output can take readings continuously under dynamic conditions in nearly real time. In order to use stainless-steel tubing for pressure measurements, it is necessary to clean many tubes, cut them to length, carefully install them, delicately deburr them, and splice them. A cluster of a few hundred 1/16-in.- (approx.=1.6-mm-) diameter tubes (such clusters are common in research testing facilities) can be several inches (of the order of 10 cm) in diameter and could weigh enough that two technicians are needed to handle it. Replacing hard tubing with electronic chips can eliminate much of the bulk. Each sensor would fit on the tip of a 1/16-in. tube with room to spare. The Lucas NovaSensor P592 piezoresistive silicon pressure sensor was chosen for this project because of its cost, availability, and tolerance to extreme ambient conditions. The sensor chip is 1 mm square by 0.6 mm thick (about 0.039 by 0.039 by 0.024 in.) and includes 0.12-mm (approx.=0.005-in.) wire connection tabs. The figure shows a flow-angularity probe that was built by use of three such MEMS chips. It is planned to demonstrate this MEMS probe as an alternative to a standard tube-type "Cobra" probe now used routinely in wind tunnels and aeronautical hardware. This MEMS probe could be translated across a flow field by use of a suitable actuator, so that its accuracy and the shortness of its response time could be exploited to obtain precise dynamic measurements of a sort that cannot be made by use of conventional tubing-based instrumentation.

Redding, Chip↗

Extracted Water Induces Concentration Fluctuations in Model Ternary Liquid–Liquid Extraction System

Organic phase aggregation and phase splitting are two important (and connected) phenomena in liquid–liquid extraction of metal ions. Previously, we demonstrated how structure in binary mixtures of extractant and diluent originates from concentration fluctuations associated with the so-called “third-phase formation” liquid–liquid phase instability. For more complex systems, we sought to understand how extracted aqueous components affect these concentration fluctuations. Here, in this study, we use small-angle X-ray scattering and molecular dynamics simulations to investigate organic phase structural changes upon contact with water in a model ternary system of water/alkane/extractant. Critical exponents were determined from scattering with temperature variation and were consistent with mean field values. Then, by controlling the water content in the organic phase through direct dissolution of fixed quantities at constant temperature, we relate the observed increase in the fluctuation length scale to changes to the spinodal temperature of the third-phase formation phase boundary. We find a roughly linear relationship between water concentration and the spinodal temperature and a similar slope in that relationship for different linear alkane diluents. This suggests that the mechanism by which water extraction impacts the organic phase structure is to enhance concentration fluctuations through the introduction of additional polar extractant-water complexes, which increases the spinodal temperature and thereby decreases the reduced temperature, i.e., the distance to the instability. This explanation for how solutes induce aggregation in liquid–liquid extraction organic phases may extend to more complex systems, explaining the large increases in correlation lengths reported under high acid and metal loading.

Bonnett, Brittany L. [Argonne National Laboratory ↗

Optical Multi-Gas Monitor Technology Demonstration on the International Space Station

There are a variety of both portable and fixed gas monitors onboard the International Space Station (ISS). Devices range from rack-mounted mass spectrometers to hand-held electrochemical sensors. An optical Multi-Gas Monitor has been developed as an ISS Technology Demonstration to evaluate long-term continuous measurement of 4 gases. Based on tunable diode laser spectroscopy, this technology offers unprecedented selectivity, concentration range, precision, and calibration stability. The monitor utilizes the combination of high performance laser absorption spectroscopy with a rugged optical path length enhancement cell that is nearly impossible to misalign. The enhancement cell serves simultaneously as the measurement sampling cell for multiple laser channels operating within a common measurement volume. Four laser diode based detection channels allow quantitative determination of ISS cabin concentrations of water vapor (humidity), carbon dioxide, ammonia and oxygen. Each channel utilizes a separate vertical cavity surface emitting laser (VCSEL) at a different wavelength. In addition to measuring major air constituents in their relevant ranges, the multiple gas monitor provides real time quantitative gaseous ammonia measurements between 5 and 20,000 parts-per-million (ppm). A small ventilation fan draws air with no pumps or valves into the enclosure in which analysis occurs. Power draw is only about 3 W from USB sources when installed in Nanoracks or when connected to 28V source from any EXPRESS rack interface. Internal battery power can run the sensor for over 20 hours during portable operation. The sensor is controlled digitally with an FPGA/microcontroller architecture that stores data internally while displaying running average measurements on an LCD screen and interfacing with the rack or laptop via USB. Design, construction and certification of the Multi-Gas Monitor were a joint effort between Vista Photonics, Nanoracks and NASA-Johnson Space Center (JSC). Vista Photonics developed the core technology and built the sensor. Nanoracks designed, constructed the enclosure, interfaces, and battery power management circuitry, integrated all subsystems into the enclosure, and then managed the certification tests, documentation and manifesting. The unit was calibrated in the JSC Toxicology Laboratory. The Multi-Gas Monitor is manifested to fly as a technology demonstration to the ISS in November 2013 and will operate for at least 6 months with data sent to the ground for evaluation. The primary goal is to demonstrate long term interference free operation in the real spacecraft environment.

Pilgrim, Jeffrey S.↗

Adaptive fault-tolerant routing in hypercube multicomputers

A connected hypercube with faulty links and/or nodes is called an injured hypercube. To enable any non-faulty node to communicate with any other non-faulty node in an injured hypercube, the information on component failures has to be made available to non-faulty nodes so as to route messages around the faulty components. A distributed adaptive fault tolerant routing scheme is proposed for an injured hypercube in which each node is required to know only the condition of its own links. Despite its simplicity, this scheme is shown to be capable of routing messages successfully in an injured hypercube as long as the number of faulty components is less than n. Moreover, it is proved that this scheme routes messages via shortest paths with a rather high probabiltiy and the expected length of a resulting path is very close to that of a shortest path. Since the assumption that the number of faulty components is less than n in an n-dimensional hypercube might limit the usefulness of the above scheme, a routing scheme is introduced based on depth-first search which works in the presence of an arbitrary number of faulty components. Due to the insufficient information on faulty components, the paths chosen by the above scheme may not always be the shortest. To guarantee that all messages be routed via shortest paths, it is proposed that every mode be equipped with more information than that on its own links. The effects of this additional information on routing efficiency are analyzed, and the additional information to be kept at each node for the shortest path routing is determined. Several examples and remarks are also given to illustrate the results.

Chen, Ming-Syan↗

Comparison Testing and Analysis of Braided Cords Constructed from Varying Kevlar Fiber Types

Material advancements move quickly, resulting in material obsolescence issues that require parachute engineers to understand how the material properties change with a material upgrade and if there are expected impacts to overall performance of the parachute. The objective of this test was to measure the elongation of different Kevlar types at both the cord-level and at the yarn-level to determine if a change in Kevlar type impacted parachute performance. An Instron machine with a pin-to-pin connection was used to measure load and displacement time histories for various Kevlar cord and yarn samples in a cyclic load profile. Twenty-four cord samples and twenty-four yarn samples were tested; each sample was cycled five times to the relevant maximum load (either to breaking strength or to the 30% peak load expected in flight). In addition to the Instron measurements, a photogrammetric technique was also implemented to measure elongation of the samples using button targets. Modulus test data shows approximately a 10% difference in elongation between Kevlar 29AP and Kevlar 129, and another 10% difference in elongation between Kevlar 29 and Kevlar 29AP. Although this is a measurable change in modulus, the effect on parachute performance is likely small, particularly for non-primary structure elements of relatively small length. This test campaign provides an example of the type of testing and analysis that parachute engineers could do to understand how material upgrades affect performance of their systems.

Parachutes↗

Comparison Testing and Analysis of Braided Cords Constructed from Varying Kevlar Fiber Types

Material advancements move quickly, resulting in material obsolescence issues that require parachute engineers to understand how the material properties change with a material upgrade and if there are expected impacts to overall performance of the parachute. The objective of this test was to measure the elongation of different Kevlar types at both the cord-level and at the yarn-level to determine if a change in Kevlar type impacted parachute performance. An Instron machine with a pin-to-pin connection was used to measure load and displacement time histories for various Kevlar cord and yarn samples in a cyclic load profile. Twenty-four cord samples and twenty-four yarn samples were tested; each sample was cycled five times to the relevant maximum load (either to breaking strength or to the 30% peak load expected in flight). In addition to the Instron measurements, a photogrammetric technique was also implemented to measure elongation of the samples using button targets. Modulus test data shows approximately a 10% difference in elongation between Kevlar 29AP and Kevlar 129, and another 10% difference in elongation between Kevlar 29 and Kevlar 29AP. Although this is a measurable change in modulus, the effect on parachute performance is likely small, particularly for non-primary structure elements of relatively small length. This test campaign provides an example of the type of testing and analysis that parachute engineers could do to understand how material upgrades affect performance of their systems.

Modulus Testing↗

Application Table: A Bridge Connecting the Designing “With-the-Material” and “the-Material”

Over the last few decades, advances in high-performance computing, new material characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. In 2016 NASA sponsored a 2040 Vision study (which appeared in 2018) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. The study envisions a cyber-physical-social ecosystem comprised of experimentally verified and validated (V & V) computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of “fit-for-purpose” materials, components, and systems. Consequently, the development of a robust information management system that incorporates (across the full life cycle) both experimental (real data) and virtual data resulting from the application of various simulation tools (at single or multiple length scales), therefore enabling the virtual design and optimization of materials throughout their processing – internal structure – property – performance envelope, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality, and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. This is particularly true when attempting to merge ICME practices with recent additive manufacturing technology which will enable production of the resulting 2040 Vision material and structural designs. At NASA Glenn Research Center we are exploring the future of material science through the use of novel characterization methodologies, high performance computing, and recently an emphasis on integrated computational materials engineering (ICME). Herein, recent efforts to incorporate an Application Table within NASA Glenn Research Center’s ICME Granta MI database is presented. The goal is to provide a place where material and structural application information/requirements can be linked so as to marry the “design the-material” and the “design-with-material” paradigms and thereby enable application-driven design and optimization of materials and structures by providing a central location that links material processing at various length scales to the application’s performance requirements. This paper discusses the specifics of this Application Table as well as best practices and key principles for the development of a robust materials information management system to enable the 2040 Vision integrated materials and structures ecosystem. Furthermore, it presents the intended role of the Application Table in the future of ICME design of “fit-for-purpose” materials, showing the need for a well-established framework that can successfully bridge the gap between the design “the material” and design “with-the-material” paradigms.

Materials↗

Experience with dynamic resource provisioning of the CMS online cluster using a cloud overlay

The primary goal of the online cluster of the Compact Muon Solenoid (CMS) experiment at the Large Hadron Collider (LHC) is to build event data from the detector and to select interesting collisions in the High Level Trigger (HLT) farm for offline storage. With more than 1500 nodes and a capacity of about 850 kHEPSpecInt06, the HLT machines represent similar computing capacity of all the CMS Tier1 Grid sites together. Moreover, it is currently connected to the CERN IT datacenter via a dedicated 160 Gbps network connection and hence can access the remote EOS based storage with a high bandwidth. In the last few years, a cloud overlay based on OpenStack has been commissioned to use these resources for the WLCG when they are not needed for data taking. This online cloud facility was designed for parasitic use of the HLT, which must never interfere with its primary function as part of the DAQ system. It also allows to abstract from the different types of machines and their underlying segmented networks. During the LHC technical stop periods, the HLT cloud is set to its static mode of operation where it acts like other grid facilities. The online cloud was also extended to make dynamic use of resources during periods between LHC fills. These periods are a-priori unscheduled and of undetermined length, typically of several hours, once or more a day. For that, it dynamically follows LHC beam states and hibernates Virtual Machines (VM) accordingly. Finally, this work presents the design and implementation of a mechanism to dynamically ramp up VMs when the DAQ load on the HLT reduces towards the end of the fill.

97 MATHEMATICS AND COMPUTING↗

Application Table: A Bridge Connecting the Designing “With-The-Material” and “The-Material” Paradigms

Over the last few decades, advances in high-performance computing, new material characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. In 2016 NASA sponsored a 2040 Vision study (which appeared in 2018) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. The study envisions a cyber-physical-social ecosystem comprised of experimentally verified and validated (V & V) computational models, tools, and techniques, along with the associated digital tapestry, that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of “fit-for-purpose” materials, components, and systems. Consequently, the development of a robust information management system that incorporates (across the full life cycle) both experimental (real data) and virtual data resulting from the application of various simulation tools (at single or multiple length scales), therefore enabling the virtual design and optimization of materials throughout their processing – internal structure – property – performance envelope, has become critical. This need is also fueled by the demands for higher efficiency in material testing; consistency, quality, and traceability of data; product design; engineering analysis; as well as control of access to proprietary or sensitive information. This is particularly true when attempting to merge ICME practices with recent additive manufacturing technology which will enable production of the resulting 2040 Vision material and structural designs. At NASA Glenn Research Center we are exploring the future of material science through the use of novel characterization methodologies, high performance computing, and recently an emphasis on integrated computational materials engineering (ICME). Herein, recent efforts to incorporate an Application Table within NASA Glenn Research Center’s ICME Granta MI database is presented. The goal is to provide a place where material and structural application information/requirements can be linked so as to marry the “design the-material” and the “design-with-material” paradigms and thereby enable application-driven design and optimization of materials and structures by providing a central location that links material processing at various length scales to the application’s performance requirements. This paper discusses the specifics of this Application Table as well as best practices and key principles for the development of a robust materials information management system to enable the 2040 Vision integrated materials and structures ecosystem. Furthermore, it presents the intended role of the Application Table in the future of ICME design of “fit-for-purpose” materials, showing the need for a well-established framework that can successfully bridge the gap between the design “the material” and design “with-the-material” paradigms.

Materials↗