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At least 487 records · Page 27

Multiscale characterization and representation of variability in ceramic matrix composites

Low density, high strength, and high creep and oxidation resistance properties of ceramic matrix composites (CMCs) make them an ideal choice for use in extreme environments in space and military applications. This paper presents a detailed characterization study of structural and manufacturing flaws in Carbon fiber Silicon-Carbide-Nitride matrix (C/SiNC) CMCs at different length-scales. Energy-dispersive spectroscopy (EDS) is used for the chemical characterization of the material’s elemental constituents. High-resolution multiscale graphs obtained from scanning electron microscope (SEM) and confocal laser scanning microscope (LSM) are used to characterize the distribution and morphology of defects at different length scales. This is followed by the classification and quantification of the common manufacturing defects. An image processing algorithm based on the image segmentation process is developed to quantify the variability of various scale-dependent architectural parameters. Finally, a three-dimensional stochastic representative volume element (SRVE) generation algorithm is developed to provide precise representations of material textures at multiple length scales. The developed algorithm accurately accounts for material features and flaws based on a range of multiscale structural and defects characterization results.

36 MATERIALS SCIENCE↗

Bespoke Liquid/Liquid Interfaces (Final Technical Report)

The goal of DE-SC0001815 was to advance the basic science of liquid:liquid interface formation, to develop a deeper understanding of the mechanisms of phase separation and the essential relationships between solution composition, organization and dynamics that underlie the kinetic regime of solvent extraction. This included learning how interfacial organization and dynamics alters the properties of the primary coordination sphere of ions and the free energy of transport of ions complexes across a phase boundary. We relied primarily upon classical molecular dynamics studies to determine the equilibrium ensembles of these complex systems, but also utilized ab-initio MD and cluster-based density functional theory (DFT) calculations when more detailed investigation of the electronic structure was needed. We continued development of graph-theory based analyses to elucidate hierarchical correlations and expanded into geometric topology methods to quantify the collectively organized structures that can organize at a liquid/liquid interface during solute transport. One of the main conclusions was from the observation of two distinct mechanisms for solute transport - those that derive from amplifications of interfacial heterogeneity and surface roughness, and those wherein surface roughness has been dampened and instead collectively organized macrostructures work to bring solutes into the organic phase. It was our aim to create a concrete chemical model of the underlying driving forces behind interfacial primary and secondary structure formation and to map out the energetic features of solute transport so that tailored liquid/liquid can be developed that have characteristic kinetic features associated with mass transport.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The organic aerosols of Titan

The optical properties and chemical composition of thiolin, an organic solid synthesized by high-energy-electron irradiation in a plasma discharge (Sagan et al., 1984) to simulate the high-altitude aerosols of Titan, are investigated experimentally using monochromators, ellipsometers, and spectrometers (on thin films deposited by continuous dc discharge) and sequential and nonsequential pyrolytic gas chromatography/mass spectrometry (of the volatile component), respectively. The results are presented in tables and graphs and characterized. The real and imaginary elements of the complex refractive index in the visible are estimated as 1.65 and 0.004-0.08, respectively, in agreement with observations of Titan, and the IR absorption features include the nitrile band at 4.6 microns. The molecules identified in the volatile part of thiolin include complex species considered important in theoretical models of the origin of life on earth.

Khare, B. N.↗

A Comparative Study of the Perceptual Sensitivity of Topological Visualizations to Feature Variations

Color maps are a commonly used visualization technique in which data are mapped to optical properties, e.g., color or opacity. Color maps, however, do not explicitly convey structures (e.g., positions and scale of features) within data. Topology-based visualizations reveal and explicitly communicate structures underlying data. Although our understanding of what types of features are captured by topological visualizations is good, our understanding of people's perception of those features is not. Further, this paper evaluates the sensitivity of topology-based isocontour, Reeb graph, and persistence diagram visualizations compared to a reference color map visualization for synthetically generated scalar fields on 2-manifold triangular meshes embedded in 3D. In particular, we built and ran a human-subject study that evaluated the perception of data features characterized by Gaussian signals and measured how effectively each visualization technique portrays variations of data features arising from the position and amplitude variation of a mixture of Gaussians. For positional feature variations, the results showed that only the Reeb graph visualization had high sensitivity. For amplitude feature variations, persistence diagrams and color maps demonstrated the highest sensitivity, whereas isocontours showed only weak sensitivity. These results take an important step toward understanding which topology-based tools are best for various data and task scenarios and their effectiveness in conveying topological variations as compared to conventional color mapping.

97 MATHEMATICS AND COMPUTING↗

The turbulent boundary layer on a porous plate - Experimental heat transfer with uniform blowing and suction, with moderately strong acceleration.

Experimental data are presented for heat transfer to the turbulent boundary layer subjected to transpiration and acceleration at constant values of the acceleration parameter K of approximately .00000145. This is a moderately strong acceleration, but not so strong as to result in laminarization of the boundary layer. The results for transpiration fractions F of -0.002, 0.0, and +0.0058 are presented in detail in tabular form, and in graphs of Stanton number versus enthalpy thickness Reynolds number. In addition, temperature profiles at several stations are presented. Stanton number results for F = -0.004, +0.002, and +0.004 are also presented, but in graphical form only. The data were obtained using air as both the free-stream and the transpired fluid, at relatively low velocities, and with temperature differences sufficiently low so that the influence of temperature-dependent fluid properties is minimal. All data were obtained with the surface maintained at a temperature invariant in the direction of flow.

Thielbahr, W. H.↗

Radiometric Performance Model for AVIRIS

This slide presentation reviews the radiometric performance model for Airborne Visible/Infrared Imaging Spectrometer (AVIRIS). This model allows for an estimation of the signal throughput and noise properties of AVIRIS for the components. This understanding can point to areas for improvements of the components.. The signal to noise ratio properties may be estimated. An accurate radiometric performance model is essential for the use of existing instruments and the design of new instruments. Included in the presentation is a design view and a picture of the AVIRIS instrument. There is discussion of the signal, the signal area solid angle product, aspects of area solid angle time, the idealized radiometer photon calculation and noise both instrument read and photon counting noise. Graphs of signal throughput efficiency, input radiance, photons at the detector, signal e-, noise e- and the signal to noise ratio are presented.

imaging spectroscopy↗

Reliability Based Design for a Raked Wing Tip of an Airframe

A reliability-based optimization methodology has been developed to design the raked wing tip of the Boeing 767-400 extended range airliner made of composite and metallic materials. Design is formulated for an accepted level of risk or reliability. The design variables, weight and the constraints became functions of reliability. Uncertainties in the load, strength and the material properties, as well as the design variables, were modeled as random parameters with specified distributions, like normal, Weibull or Gumbel functions. The objective function and constraint, or a failure mode, became derived functions of the risk-level. Solution to the problem produced the optimum design with weight, variables and constraints as a function of the risk-level. Optimum weight versus reliability traced out an inverted-S shaped graph. The center of the graph corresponded to a 50 percent probability of success, or one failure in two samples. Under some assumptions, this design would be quite close to the deterministic optimum solution. The weight increased when reliability exceeded 50 percent, and decreased when the reliability was compromised. A design could be selected depending on the level of risk acceptable to a situation. The optimization process achieved up to a 20-percent reduction in weight over traditional design.

Patnaik, Surya N.↗

Enhanced Contact Graph Routing (ECGR) MACHETE Simulation Model

Contact Graph Routing (CGR) for Delay/Disruption Tolerant Networking (DTN) space-based networks makes use of the predictable nature of node contacts to make real-time routing decisions given unpredictable traffic patterns. The contact graph will have been disseminated to all nodes before the start of route computation. CGR was designed for space-based networking environments where future contact plans are known or are independently computable (e.g., using known orbital dynamics). For each data item (known as a bundle in DTN), a node independently performs route selection by examining possible paths to the destination. Route computation could conceivably run thousands of times a second, so computational load is important. This work refers to the simulation software model of Enhanced Contact Graph Routing (ECGR) for DTN Bundle Protocol in JPL's MACHETE simulation tool. The simulation model was used for performance analysis of CGR and led to several performance enhancements. The simulation model was used to demonstrate the improvements of ECGR over CGR as well as other routing methods in space network scenarios. ECGR moved to using earliest arrival time because it is a global monotonically increasing metric that guarantees the safety properties needed for the solution's correctness since route re-computation occurs at each node to accommodate unpredicted changes (e.g., traffic pattern, link quality). Furthermore, using earliest arrival time enabled the use of the standard Dijkstra algorithm for path selection. The Dijkstra algorithm for path selection has a well-known inexpensive computational cost. These enhancements have been integrated into the open source CGR implementation. The ECGR model is also useful for route metric experimentation and comparisons with other DTN routing protocols particularly when combined with MACHETE's space networking models and Delay Tolerant Link State Routing (DTLSR) model.

Segui, John S.↗

Scalable Pattern Matching in Metadata Graphs via Constraint Checking

Pattern matching is a fundamental tool for answering complex graph queries. Unfortunately, existing solutions have limited capabilities: They do not scale to process large graphs and/or support only a restricted set of search templates or usage scenarios. Moreover, the algorithms at the core of the existing techniques are not suitable for today’s graph processing infrastructures relying on horizontal scalability and shared-nothing clusters, as most of these algorithms are inherently sequential and difficult to parallelize. In this article we present an algorithmic pipeline that bases pattern matching on constraint checking. The key intuition is that each vertex and edge participating in a match has to meet a set of constraints implicitly specified by the search template. These constraints can be verified independently and typically are less expensive to compute than searching the full template. The pipeline we propose generates these constraints and iterates over them to eliminate all the vertices and edges that do not participate in any match, thus reducing the background graph to a subgraph that is the union of all template matches—the complete set of all vertices and edges that participate in at least one match. Additional analysis can be performed on this annotated, reduced graph, such as full match enumeration, match counting, or computing vertex/edge centrality. Furthermore, a vertex-centric formulation for constraint checking algorithms exists, and this makes it possible to harness existing high-performance, vertex-centric graph processing frameworks. This technique (i) enables highly scalable pattern matching in metadata (labeled) graphs; (ii) supports arbitrary patterns with 100% precision; (iii) enables tradeoffs between precision and time-to-solution, while always selects all vertices and edges that participate in matches, thus offering 100% recall; and (iv) supports a set of popular data analytics scenarios. We implement our approach on top of HavoqGT, an open-source asynchronous graph processing framework, and demonstrate its advantages through strong and weak scaling experiments on massive scale real-world (up to 257 billion edges) and synthetic (up to 4.4 trillion edges) labeled graphs, respectively, and at scales (1,024 nodes / 36,864 cores), orders of magnitude larger than used in the past for similar problems. This article serves two purposes: First, it synthesises the knowledge accumulated during a long-term project. Second, it presents new system features, usage scenarios, optimizations, and comparisons with related work that strengthen the confidence that pattern matching based on iterative pruning via constraint checking is an effective and scalable approach in practice. The new contributions include the following: (i) We demonstrate the ability of the constraint checking approach to efficiently support two additional search scenarios that often emerge in practice, interactive incremental search and exploratory search. (ii) We empirically compare our solution with two additional state-of-the-art systems, Arabsque and TriAD. (iii) We show the ability of our solution to accommodate a more diverse range of datasets with varying properties, e.g., scale, skewness, label distribution, and match frequency. (iv) We introduce or extend a number of system features (e.g., work aggregation, load balancing, and the ability to cap the generated traffic) and design optimizations and demonstrate their advantages with respect to improving performance and scalability. (v) We present bottleneck analysis and insights into artifacts that influence performance. (vi) We present a theoretical complexity argument that motivates the performance gains we observe.

97 MATHEMATICS AND COMPUTING↗

Enhancing stability, magnetic anisotropy, and coercivity of manganese aluminum: Machine learning, ab initio , and micromagnetic modeling

The binary manganese aluminum (MnAl) alloy with L⁢1 0 crystal structure is a promising rare earth (RE) element-free permanent magnetic material because of its exceptional magnetic properties. However, experimentally synthesizing it in a stable bulk form is extremely challenging. Here, in this study, an alternative method of stabilizing the material, a pathway for experimental synthesis and validation, is proposed and theoretically verified. This is done by partially substituting Mn and Al sites with Fe and Ni and identifying its enhanced phase stability, saturation magnetization density, magnetic anisotropy, and coercivity from density functional theory (DFT), machine learning (ML) crystal graph convolution neural network (CGCNN), and micro-magnetic modeling. When considering a fixed 50% Ni, the magnetic anisotropy increases with the increasing Fe content but decreases the formation energy. The calculated formation energies, elastic constants, and phonon frequencies demonstrate that the binary and quaternary compositions are stable. Most importantly, in 50% Fe and Ni-substituted-equiatomic phase, magnetic anisotropy constants and saturation magnetization density increase by 56% and 23% as compared to the MnAl. Further, the coercivity of the equiatomic phase predicted with micro-magnetic modeling is higher by 17% than the parent compound.

Bhandari, Churna [Ames National Laboratory, and Io↗

Development of message passing-based graph convolutional networks for classifying cancer pathology reports

Abstract Background Applying graph convolutional networks (GCN) to the classification of free-form natural language texts leveraged by graph-of-words features (TextGCN) was studied and confirmed to be an effective means of describing complex natural language texts. However, the text classification models based on the TextGCN possess weaknesses in terms of memory consumption and model dissemination and distribution. In this paper, we present a fast message passing network (FastMPN), implementing a GCN with message passing architecture that provides versatility and flexibility by allowing trainable node embedding and edge weights, helping the GCN model find the better solution. We applied the FastMPN model to the task of clinical information extraction from cancer pathology reports, extracting the following six properties: main site, subsite, laterality, histology, behavior, and grade. Results We evaluated the clinical task performance of the FastMPN models in terms of micro- and macro-averaged F1 scores. A comparison was performed with the multi-task convolutional neural network (MT-CNN) model. Results show that the FastMPN model is equivalent to or better than the MT-CNN. Conclusions Our implementation revealed that our FastMPN model, which is based on the PyTorch platform, can train a large corpus (667,290 training samples) with 202,373 unique words in less than 3 minutes per epoch using one NVIDIA V100 hardware accelerator. Our experiments demonstrated that using this implementation, the clinical task performance scores of information extraction related to tumors from cancer pathology reports were highly competitive.

59 BASIC BIOLOGICAL SCIENCES↗

Coronal mass ejections and coronal structures

Research on coronal mass ejections (CMF) took a variety of forms, both observational and theoretical. On the observational side there were: case studies of individual events, in which it was attempted to provide the most complete descriptions possible, using correlative observations in diverse wavelengths; statistical studies of the properties CMEs and their associated activity; observations which may tell us about the initiation of mass ejections; interplanetary observations of associated shocks and energetic particles even observations of CMEs traversing interplanetary space; and the beautiful synoptic charts which show to what degree mass ejections affect the background corona and how rapidly (if at all) the corona recovers its pre-disturbance form. These efforts are described in capsule form with an emphasis on presenting pictures, graphs, and tables so that the reader can form a personal appreciation of the work and its results.

Hildner, E.↗

A neurocomputer based on an analog-digital hybrid architecture

A novel analog-digital hybrid architecture based on the utilization of high density digital random access memories for the storage of the synaptic weights of a neural network, and high speed analog hardware to perform neural computation is described. An electronic neurocomputer based on such an architecture is ideally suited for investigating the dynamics, associative recall properties, and computational capabilities of neural networks and provides significant speed improvement in comparison to conventional software based neural network simulations. As a demonstration of the feasibility of the hybrid architectural concept, a prototype breadboard hybrid neurocomputer system with 32 neurons has been designed and fabricated with off-the-shelf hardware components. The performance of the breadboard system has been tested for variety of applications including associative memory and combinatorial problem solving such as Graph Coloring, and is discussed in this paper.

Moopenn, A.↗

New insights in the numerical reliability properties of existing Kalman filter implementations

The convergence properties of Kalman filter algorithms are investigated analytically. A theoretical error analysis is performed on four types of algorithms, as defined by Anderson and Moore (1979): (1) a conventional Kalman filter, (2) a square-root (SR) covariance filter, (3) the Chandrasekhar SR filter, and (4) an SR information filter. The derivations are given in detail, and numerical results for the flight-path reconstruction problem studied by Verhaegen (1987) are presented in tables and graphs. It is shown that error propagation in algorithms (1) and (2) is sensitive to the condition number of the innovation-signal covariance matrix and the spectral norm of the filter state-transition matrix, whereas other parameters are dominant in (3) and (4). Filter (2) is found to be the most reliable for the class of problems studied.

Verhaegen, M. H.↗

A conservative, consistent, and scalable meshfree mimetic method

Mimetic methods discretize divergence by restricting the Gauss theorem to mesh cells. Because point clouds lack such geometric entities, construction of a compatible meshfree divergence remains a challenge. In this work, we define an abstract Meshfree Mimetic Divergence (MMD) operator on point clouds by contraction of field and virtual face moments. This MMD satisfies a discrete divergence theorem, provides a discrete local conservation principle, and is first-order accurate. We consider two MMD instantiations. The first one assumes a background mesh and uses generalized moving least squares (GMLS) to obtain the necessary field and face moments. This MMD instance is appropriate for settings where a mesh is available but its quality is insufficient for a robust and accurate mesh-based discretization. The second MMD operator retains the GMLS field moments but defines virtual face moments using computationally efficient weighted graph-Laplacian equations. This MMD instance does not require a background grid and is appropriate for applications where mesh generation creates a computational bottleneck. It allows one to trade an expensive mesh generation problem for a scalable algebraic one, without sacrificing compatibility with the divergence operator. We demonstrate the approach by using the MMD operator to obtain a virtual finite-volume discretization of conservation laws on point clouds. Finally, numerical results in the paper confirm the mimetic properties of the method and show that it behaves similarly to standard finite volume methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

MoSi2-Base Hybrid Composite Passed Engine Test

The intermetallics compound molybdenum disilicide (MoSi2) is an attractive high-temperature structural material for advanced engine applications. It has excellent oxidation resistance, a high melting point, relatively low density, and high thermal conductivity, and it is easily machined. Past research'at the NASA Lewis Research Center has resulted in the development of a hybrid composite consisting of a MoSi2 matrix reinforced with silicon nitride (Si3N4) Particulate and silicon carbide (SiC) fibers. This composite has demonstrated attractive strength, toughness, thermal fatigue, and oxidation resistance, including resistance to "pest" oxidation. These properties attracted the interest of the Office of Naval Research and Pratt & Whitney, and a joint NASA/Navy/Pratt & Whitney effort was developed to continue to mature the MoSi2 Composite technology. A turbine blade outer air seal, which was part of the Integrated High Performance Turbine Engine Technology (IHPTET) program, was chosen as a first component on which to focus. The first tasks of the materials development effort were to develop improved processing methods to reduce costs and to use fine-diameter fibers that enable the manufacturing of complex shapes. Tape-casting methods were developed to fully infiltrate the fine SiC fibers with matrix powders. The resulting composites were hot pressed to 100-percent density. Composites with cross-plied fiber architectures with 30 vol. % hi-nicalon SiC fibers and 30 vol. % nitride particles are now made routinely and demonstrate a good balance of properties. The next task entailed the measurement of a wide variety of mechanical properties to confirm the suitability of this composite in engines. In particular, participants in this effort demonstrated that composites made with Hi-Nicalon fibers had strength and toughness properties equal to or better than those of the composites made with the large-diameter fibers that had been used previously. Another critically important property measured was impact resistance. Aircraft engine components require sufficient toughness to resist manufacturing defects, assembly damage, stress concentrations at notches, and foreign object damage. Engine company designers indicated that impact resistance would have to be measured before they would seriously consider these types of composites. The Charpy V-notch test was chosen to assess impact resistance, and both monolithic and composite versions Of MOSi2 were tested from -300 to 1400 C. The results (see the following graphs) show that nitride-particulate-reinforced MoSi2 exhibited impact resistance higher than that of many monolithic ceramics and intermetallics, and that the fiber-reinforced composites had even higher values, approaching that of cast superalloys.

Keith, Theo G., Jr.↗

Prediction of vacancy defect diffusion paths in high entropy alloys via machine learning on molecular dynamics data

Identifying the diffusion path of point defects is a critical step in understanding their evolution and the mechanisms of related phenomena. Defect diffusion occurs at small length and time scales, with impacts on material properties that may continue to evolve over ns to μs, ms, and the continuum scale (s, min, etc., and cm, m, etc.). The time scale accessible to molecular dynamics (MD) simulations is limited by small step sizes, typically in the fs range. Thus, surrogate models of MD simulations through machine learning (ML)-based algorithms are of great interest, especially for complex systems such as high entropy alloys (HEAs). In this work, dynamics governing vacancy migration in HEA were approximated with graph convolutional network (GCN) models as ansatzes for kinetic Monte Carlo (KMC) rate catalogs. Network design considered that diffusion in crystalline solids generally depends on interactions between defects and their immediate neighbor atoms. Graphs represented the vacancy surroundings, MD-generated trajectories provided training and comparison datasets, and unsupervised GCN models approximated interatomic dynamics governing vacancy migration in HEAs as ansatzes for KMC. A proof-of-concept model trained on MD data for the Fe, Ni, Cr, Co, and Cu HEA environment was used with two different neighbor interactions to assess the feasibility of training a GCN to predict vacancy defect transition rates in the HEA environment. The resulting setup rapidly generated MD-formatted synthetic trajectories based on dynamics learned from the MD training set, with a time acceleration of roughly two orders of magnitude and a similar diffusion coefficient to MD observations. Additionally, Nudged Elastic Band (NEB) calculations were performed on randomly generated FeNiCrCoCu HEA structures to determine vacancy migration barriers across nearest-neighbor sites. Transition probabilities for each jump, categorized by atomic type, were extracted from these calculations. NEB-based and GCN-based approaches led to similar outcomes.

Reimer, C↗

DS-2 Mars Microprobe Battery

In January of 1999 the NM DS-2 Mars microprobe will be launched to impact on Mars in December. The technical objectives of the missions are to demonstrate: key technologies, a passive atmospheric entry, highly integrated microelectronics which can withstand both low temperatures and high decelerations, and the capability to conduct in-situ, surface and subsurface science data acquisition. The scientific objectives are to determine if ice is present below the Martian surface, measure the local atmospheric pressure, characterize the thermal properties of the martian subsurface soil, and to estimate the vertical temperature gradient of the Martian soil. The battery requirements are 2-4 cell batteries, with voltage of 6-14 volts, capacity of 550 mAh at 80C, and 2Ah at 25C, shelf life of 2.5 years, an operating temperature of 60C and below, and the ability to withstand shock impact of 80,000 g's. The technical challenges and the approach is reviewed. The Li-SOCL2 system is reviewed, and graphs showing the current and voltage is displayed, along with the voltage over discharge time. The problems encountered during the testing were: (1) impact sensitivity, (2) cracking of the seals, and (3) delay in voltage. A new design resulted in no problems in the impact testing phase. The corrective actions for the seal problems involved: (1) pre weld fill tube, (2) an improved heat sink during case to cover weld and (3) change the seal dimensions to reduce stress. To correct the voltage delay problem the solutions involved: (1) drying the electrodes to reduce contamination by water, (2) assemblage of the cells within a week of electrode manufacture, (3) ensure electrolyte purity, and (4) provide second depassivation pulse after landing. The conclusions on further testing were that the battery can: (1) withstand anticipated shock of up to 80,000 g, (2) meet the discharge profile post shock at Mars temperatures, (3) meet the required self discharge rate and (4) meet environmental requirements.

Frank, H.↗