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At least 739 records · Page 41

Machine learning visualization tool for exploring parameterized hydrodynamics

We are interested in the computational study of shock hydrodynamics, i.e. problems involving compressible solids, liquids, and gases that undergo large deformation. These problems are dynamic and nonlinear and can exhibit complex instabilities. Due to advances in high performance computing it is possible to parameterize a hydrodynamic problem and perform a computational study yielding $\mathscr{O} (TB)$ of simulation state data. We present an interactive machine learning tool that can be used to compress, browse, and interpolate these large simulation datasets. This tool allows computational scientists and researchers to quickly visualize 'what-if' situations, perform sensitivity analyses, and optimize complex hydrodynamic experiments.

97 MATHEMATICS AND COMPUTING↗

The potential benefit of an advanced integrated utility system

The applicability of an advanced integrated utility system based on 1980 technology was investigated. An example of such a system, which provides electricity, heating and air conditioning, solid waste disposal, and water treatment in a single integrated plant, is illustrated for a hypothetical apartment complex. The system requires approximately 50 percent of the energy and approximately 55 percent of the water that would be required by a typical current conventional system.

Wolfer, B. M.↗

An enzyme immunoassay for rat growth hormone - Applications to the study of growth hormone variants

A sensitive and specific competitive enzyme immunoassay for rat growth hormone (GH) is described and its use in the detection of GH variants is demonstrated. In the present assay, soluble GH and GH adsorbed to a solid-phase support compete for monkey anti-GH antibody binding sites. The immobilized antibody-GH complex is detected and quantified using goat antimonkey immunoglobin G covalently conjugated to horseradish peroxidase. It is noted that the assay can be performed in 27 hours and that sensitivities in the range of 0.19 to 25 ng can be obtained in the region of 10 to 90 percent binding.

Farrington, Marianne A.↗

The phase composition of Triton's polar caps

Triton's polar caps are modeled as permanent nitrogen deposits hundreds of meters thick. Complex temperature variations on Triton's surface induce reversible transitions between the cubic and hexagonal phases of solid nitrogen, often with two coexisting propagating transition fronts. Subsurface temperature distributions are calculated using a two-dimensional thermal model with phase changes. The phase changes fracture the upper nitrogen layer, increasing its reflectivity and thus offering an explanation for the surprisingly high southern polar cap albedo (approximately 0.8) seen during the Voyager 2 flyby. The model has other implications for the phase transition phenomena on Triton, such as a plausible mechanism for the origin of geyser-like plume vent areas and a mechanism of energy transport toward them.

Duxbury, N. S.↗

The CE/SE Method: a CFD Framework for the Challenges of the New Millennium

The space-time conservation element and solution element (CE/SE) method, which was originated and is continuously being developed at NASA Glenn Research Center, is a high-resolution, genuinely multidimensional and unstructured-mesh compatible numerical method for solving conservation laws. Since its inception in 1991, the CE/SE method has been used to obtain highly accurate numerical solutions for 1D, 2D and 3D flow problems involving shocks, contact discontinuities, acoustic waves, vortices, shock/acoustic waves/vortices interactions, shock/boundary layers interactions and chemical reactions. Without the aid of preconditioning or other special techniques, it has been applied to both steady and unsteady flows with speeds ranging from Mach number = 0.00288 to 10. In addition, the method has unique features that allow for (i) the use of very simple non-reflecting boundary conditions, and (ii) a unified wall boundary treatment for viscous and inviscid flows. The CE/SE method was developed with the conviction that, with a solid foundation in physics, a robust, coherent and accurate numerical framework can be built without involving overly complex mathematics. As a result, the method was constructed using a set of design principles that facilitate simplicity, robustness and accuracy. The most important among them are: (i) enforcing both local and global flux conservation in space and time, with flux evaluation at an interface being an integral part of the solution procedure and requiring no interpolation or extrapolation; (ii) unifying space and time and treating them as a single entity; and (iii) requiring that a numerical scheme be built from a nondissipative core scheme such that the numerical dissipation can be effectively controlled and, as a result, will not overwhelm the physical dissipation. Part I of the workshop will be devoted to a discussion of these principles along with a description of how the ID, 2D and 3D CE/SE schemes are constructed. In Part II, various applications of the CE/SE method, particularly those involving chemical reactions and acoustics, will be presented. The workshop will be concluded with a sketch of the future research directions.

Chang, Sin-Chung↗

Workshop on Cometary Dust in Astrophysics

The paper include contribution of each Lunar and Planetary Institute. Contents include the following: Mass flux in the ancient Earth-Moon system and benign implications for the origin of life on Earth. In-situ analysis of complex organic matter in cometary dust by ion microprobe. Pristine presolar silicon carbide. Infrared spectra of melilite solid solution. Comet observations with SIRTF. Ice and carbon chemistry in comets. The nature in interstellar dust. Modeling the infrared emission from protoplanetary dust disks.

Source record↗

Process for separating metallic from semiconducting single-walled carbon nanotubes

A method for separating semiconducting single-walled carbon nanotubes from metallic single-walled carbon nanotubes is disclosed. The method utilizes separation agents that preferentially associate with semiconducting nanotubes due to the electrical nature of the nanotubes. The separation agents are those that have a planar orientation, .pi.-electrons available for association with the surface of the nanotubes, and also include a soluble portion of the molecule. Following preferential association of the separation agent with the semiconducting nanotubes, the agent/nanotubes complex is soluble and can be solubilized with the solution enriched in semiconducting nanotubes while the residual solid is enriched in metallic nanotubes.

Sun, Ya-Ping↗

Experiments on Lunar Core Composition: Phase Equilibrium Analysis of A Multi-Element (Fe-Ni-S-C) System

Previous geochemical and geophysical experiments have proposed the presence of a small, metallic lunar core, but its composition is still being investigated. Knowledge of core composition can have a significant effect on understanding the thermal history of the Moon, the conditions surrounding the liquid-solid or liquid-liquid field, and siderophile element partitioning between mantle and core. However, experiments on complex bulk core compositions are very limited. One limitation comes from numerous studies that have only considered two or three element systems such as Fe-S or Fe-C, which do not supply a comprehensive understanding for complex systems such as Fe-Ni-S-Si-C. Recent geophysical data suggests the presence of up to 6% lighter elements. Reassessments of Apollo seismological analyses and samples have also shown the need to acquire more data for a broader range of pressures, temperatures, and compositions. This study considers a complex multi-element system (Fe-Ni-S-C) for a relevant pressure and temperature range to the Moon's core conditions.

Go, B. M.↗

Cause and Cure-Deterioration in Accuracy of CFD Simulations with Use of High-Aspect-Ratio Triangular/Tetrahedral Grids

In the multi-dimensional space-time conservation element and solution element16 (CESE) method, triangles and tetrahedral mesh elements turn out to be the most natural building blocks for 2D and 3D spatial grids, respectively. As such, the CESE method is naturally compatible with the simplest 2D and 3D unstructured grids and thus can be easily applied to solve problems with complex geometries. However, because (a) accurate solution of a high-Reynolds number flow field near a solid wall requires that the grid intervals along the direction normal to the wall be much finer than those in a direction parallel to the wall and, as such, the use of grid cells with extremely high aspect ratio (103 to 106) may become mandatory, and (b) unlike quadrilateral hexahedral grids, it is well-known that accuracy of gradient computations involving triangular tetrahedral grids tends to deteriorate rapidly as cell aspect ratio increases. As a result, the use of triangular tetrahedral grid cells near a solid wall has long been deemed impractical by CFD researchers. In view of (a) the critical role played by triangular tetrahedral grids in the CESE development, and (b) the importance of accurate resolution of high-Reynolds number flow field near a solid wall, as will be presented in the main paper, a comprehensive and rigorous mathematical framework that clearly identifies the reasons behind the accuracy deterioration as described above has been developed for the 2D case involving triangular cells. By avoiding the pitfalls identified by the 2D framework, and its 3D extension, it has been shown numerically.

CFD↗

Post-Event Fault Identification with Machine Learning for Protection System Validation

Power system protection devices have transitioned over the past few decades from mechanical to analog devices, then to solid state and finally digital. Relays and their associated critical network of equipment have significantly increased in complexity. Even internally, relays have gained significant intricacy, with relatively simple overcurrent or differential functions now being assisted by a myriad of other functions. This is necessary as the grid becomes more complex, but it brings increased difficulty in monitoring and upkeep. Misoperation caused by accidental improper relay settings or deliberate malicious actions is a constant challenge faced by all utilities. These improper settings can be difficult to identify and may require exhaustive post-mortem analysis, typically after a major outage event has already occurred. A mechanism is needed for monitoring the behavior of protection systems to validate that their performance falls within expectations. Relays that fail to isolate a fault or trip when there is no system disturbance can be flagged for settings review in situations where this behavior may not have been noticed due to manual restoration or backup protection operations. This work presents a concept for a machine learning (ML) system capable of validating the performance of protection systems by identifying fault events and characterizing protection system responses based solely on available current and voltage measurements. As a first step in its development, an experimental dataset is generated, and a random forest model is implemented with high accuracy in distinguishing four power system scenarios.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

Protection System Validation Using Post-Event Anomaly Classification with Machine Learning

Power system protection devices have transitioned over the past few decades from mechanical to analog devices, then to solid state and finally digital. Relays and their associated critical network of equipment have significantly increased in complexity. Even internally, relays have gained significant intricacy, with relatively simple overcurrent or differential functions now being assisted by a myriad of other functions. This is necessary as the grid becomes more complex, but it brings increased difficulty in monitoring and upkeep. Misoperation caused by improper relay settings or malicious actions is a constant challenge faced by all utilities. These improper settings can be difficult to identify and may require exhaustive post-mortem analysis, typically after a major outage event has already occurred. A mechanism is needed for monitoring the behavior of protection systems to validate that they act and perform as expected. This work presents a concept for a machine learning (ML) system capable of validating the performance of protection systems by classifying anomalous events and characterizing protection system responses based solely on available current and voltage measurements. As a first step in its development, an experimental dataset is generated, and a random forest model is implemented with high accuracy in distinguishing four power system scenarios.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

Protection System Validation with Machine Learning Anomaly Classification

A poster for the Early Career Poster Session. Power system protection devices have transitioned over the past few decades from mechanical to analog devices, then to solid state and finally digital. Relays and their associated critical network of equipment have significantly increased in complexity. Even internally, relays have gained significant intricacy, with relatively simple overcurrent or differential functions now being assisted by a myriad of other functions. This is necessary as the grid becomes more complex, but it brings increased difficulty in monitoring and upkeep. Misoperation caused by improper relay settings or malicious actions is a constant challenge faced by all utilities. These improper settings can be difficult to identify and may require exhaustive post-mortem analysis, typically after a major outage event has already occurred. A mechanism is needed for monitoring the behavior of protection systems to validate that they act and perform as expected. This work presents a concept for a machine learning (ML) system capable of validating the performance of protection systems by classifying anomalous events and characterizing protection system responses based solely on available current and voltage measurements. As a first step in its development, an experimental dataset is generated, and a random forest model is implemented with high accuracy in distinguishing four power system scenarios.

24 - POWER TRANSMISSION AND DISTRIBUTION↗

Kinetic Pathways Templated by Low-Temperature Intermediates during Solid-State Synthesis of Layered Oxides

Layered oxides have been the dominant cathodes in lithium-ion batteries, and among them, high-nickel (Ni) systems are attractive because of their high capacity. For practical use, synthetic control of stoichiometry and structural ordering is crucial but has been nontrivial due to the complexity inherent to synthesis reactions, which often proceed via nonequilibrium pathways. In this paper, we report here a combined in situ synchrotron X-ray diffraction and ab initio study of solid-state synthesis of layered oxides starting from acetate precursors for LiCoO 2 and LiNiO 2 and their solid solution LiNi 0.8 Co 0.2 O 2 . While all three systems ultimately evolve into the same thermodynamically stable layered phase ($R\overline{3}m$), each chemistry involves distinct metastable intermediates. We explain the phase progressions using a structural template model, demonstrating that during the synthesis of LiCoO 2 , the formed metastable spinel polymorph (Li 2 Co 2 O 4 ; $Fd\overline{3}m$) is a kinetically facile lithiation product of spinel Co 3 O 4 —the low-temperature (LT) intermediate from the decomposed Co-acetate. Similarly, in the Ni-based systems, the acetate decomposition products, rocksalts (Ni,Co)O, topotactically template the kinetic pathways of forming disordered rocksalts (Li x (Ni,Co) 2–x O 2 ; $Fm\overline{3}m$), consequently leading to off-stoichiometric Li x (Ni,Co)O 2 with undesired high Li/Ni mixing. These findings highlight new opportunities for engineering precursors to form LT intermediates that template the synthesis of target phases and structural properties.

36 MATERIALS SCIENCE↗

Trigonal Bipyramidal V 3+ Complex as an Optically Addressable Molecular Qubit Candidate

Synthetic chemistry enables a bottom-up approach to quantum information science, where atoms can be deterministically positioned in a quantum bit or qubit. Two key requirements to realize quantum technologies are qubit initialization and read-out. By imbuing molecular spins with optical initialization and readout mechanisms, analogous to solid-state defects, molecules could be integrated into existing quantum infrastructure. To mimic the electronic structure of optically addressable defect sites, we designed the spin-triplet, V 3+ complex, (C 6 F 5 ) 3 trenVCN t Bu (1).We measured the static spin properties as well as the spin coherence time of1demonstrating coherent control of this spin qubit with a 240 GHz electron paramagnetic resonance spectrometer powered by a free electron laser. We found that1exhibited narrow, near-infrared photoluminescence (PL) from a spin-singlet excited state. Using variable magnetic field PL spectroscopy, we resolved emission into each of the ground-state spin sublevels, a crucial component for spin-selective optical initialization and readout. This work demonstrates that trigonally symmetric, heteroleptic V 3+ complexes are candidates for optical spin addressability.

30 DIRECT ENERGY CONVERSION↗

Mean Flow Augmented Acoustics in Rocket Systems

Oscillatory motion in solid rocket motors and liquid engines has long been a subject of concern. Many rockets display violent fluctuations in pressure, velocity, and temperature originating from the complex interactions between the combustion process and gas dynamics. The customary approach to modeling acoustic waves inside a rocket chamber is to apply the classical inhomogeneous wave equation to the combustion gas. The assumption of a linear, non-dissipative wave in a quiescent fluid remains valid while the acoustic amplitudes are small and local gas velocities stay below Mach 0.2. The converging section of a rocket nozzle, where gradients in pressure, density, and velocity become large, is a notable region where this approach is not applicable. The expulsion of unsteady energy through the nozzle of a rocket is identified as the predominate source of acoustic damping for most rocket systems. An accurate model of the acoustic behavior within this region where acoustic modes are influenced by the presence of a steady mean flow is required for reliable stability predictions. Recently, an approach to address nozzle damping with mean flow effects was implemented by French [1]. This new approach extends the work originated by Sigman and Zinn [2] by solving the acoustic velocity potential equation (AVPE) formulated by perturbing the Euler equations [3]. The acoustic velocity potential (psi) describing the acoustic wave motion in the presence of an inhomogeneous steady high-speed flow is defined by, (del squared)(psi) − (lambda/c)(exp 2)(psi) − M(dot)[M(dot)(del)(del(psi))] − 2(lambda(M/c) + (M(dot)del(M))(dot)del(psi)−2(lambda)(psi)[M(dot)del(1/c)]=0 (1) with M as the Mach vector, c as the speed of sound, and lambda as the complex eigenvalue. French apply the finite volume method to solve the steady flow field within the combustion chamber and nozzle with inviscid walls. The complex eigenvalues and eigenvector are determined with the use of the ARPACK eigensolver. The present study employs the COMSOL Multphysics framework to solve the coupled eigenvalue problem using the finite element approach. The study requires one way coupling of the CFD High Mach Number Flow (HMNF) and mathematics module. The HMNF module evaluated the gas flow inside of a solid rocket motor using St. Robert's law modeling solid propellant burn rate, slip boundary conditions, and the supersonic outflow condition. Results from the HMNF model are used by the coefficient form of the mathematics module to determine the eigenvalues of the AVPE. The mathematics model is truncated at the nozzle sonic line, where a zero flux boundary condition is self-satisfying. The remaining boundaries are modeled with a zero flux boundary condition, assuming zero acoustic absorption on all surfaces. Pertinent results from these analyses are the complex valued eigenvalue and eigenvectors. Comparisons are made to the French results to evaluate the modeling approach. A comparison of the French results with that of the present analysis is displayed in figures 1 and 2, respectively. The graphic shows the first tangential eigenvector's real (a) and imaginary (b) values.

Fischbach, Sean R.↗

How Cities Breathe: Ground-Referenced, Airborne Hyperspectral Imaging Precursor Measurements To Space-Based Monitoring

Methane's (CH4) large global warming potential (Shindell et al., 2012) and likely increasing future emissions due to global warming feedbacks emphasize its importance to anthropogenic greenhouse warming (IPCC, 2007). Furthermore, CH4 regulation has far greater near-term climate change mitigation potential versus carbon dioxide CO2, the other major anthropogenic Greenhouse Gas (GHG) (Shindell et al., 2009). Uncertainties in CH4 budgets arise from the poor state of knowledge of CH4 sources - in part from a lack of sufficiently accurate assessments of the temporal and spatial emissions and controlling factors of highly variable anthropogenic and natural CH4 surface fluxes (IPCC, 2007) and the lack of global-scale (satellite) data at sufficiently high spatial resolution to resolve sources. Many important methane (and other trace gases) sources arise from urban and mega-urban landscapes where anthropogenic activities are centered - most of humanity lives in urban areas. Studying these complex landscape tapestries is challenged by a wide and varied range of activities at small spatial scale, and difficulty in obtaining up-to-date landuse data in the developed world - a key desire of policy makers towards development of effective regulations. In the developing world, challenges are multiplied with additional political access challenges. As high spatial resolution satellite and airborne data has become available, activity mapping applications have blossomed - i.e., Google maps; however, tap a minute fraction of remote sensing capabilities due to limited (three band) spectral information. Next generation approaches that incorporate high spatial resolution hyperspectral and ultraspectral data will allow detangling of the highly heterogeneous usage megacity patterns by providing diagnostic identification of chemical composition from solids (refs) to gases (refs). To properly enable these next generation technologies for megacity include atmospheric radiative transfer modeling the complex and often aerosol laden, humid, urban microclimates, atmospheric transport and profile monitoring, spatial resolution, temporal cycles (diurnal and seasonal which involve interactions with the surrounding environment diurnal and seasonal cycles) and representative measurement approaches given traffic realities. Promising approaches incorporate contemporaneous airborne remote sensing and in situ measurements, nocturnal surface surveys, with ground station measurement

Leifer, Ira↗

Orientation-dependent mutual crystalline and amorphous order in a single phase solid

Amorphous materials distinguish themselves from crystalline materials by lacking long-range order while retaining structural order at the local scale (2–5 Å). However, the complexity in topological and chemical order prevents current characterization tools from fully unveiling the structure in disordered materials. Consequently, the nature of medium-range order in amorphous materials has remained elusive. The Zachariasen and crystal competing models have been proposed to describe disordered phases and have both been verified through synthesis and characterization. The main difference between them is thought to be whether the amorphous phase shows medium-range order. Here we demonstrate a form of organized inorganic matter that is amorphous in two dimensions, while exhibiting long-range order and a high degree of crystallinity in the third. The structure consists of periodically stacked 2-dimensional amorphous Nb-W-O monolayers without long-range in-plane order. The unique periodic and therefore crystalline stacking along one principal axis enables direct imaging and revealed that the amorphous Nb-W-O monolayers formed in agreement with the Zachariasen model for 2 dimensions. Our findings show that the gap between crystalline and amorphous materials does not only depend on medium-range order but can also apply to principal dimensions within the same solid.

Nanowires↗