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At least 649 records · Page 36

Frequent Fulcrum Functions: The Basics of SCALE’s Graphical User Interface [Slides]

This tutorial introduces the Fulcrum graphical user interface and the basic functions that enhance the common activities of creating, editing, navigating, executing, and visualizing SCALE input files. This tutorial will help you become familiar with the Fulcrum input file text editor and the integrated input development environment features of autocompletion, automatic checking, cursor context, and input navigation. In addition, the Fulcrum and SCALE runtime environment will be reviewed to improve the understanding of job execution workflow. This tutorial does not cover data and geometry plotting. Please see the Advanced User Interface Capabilities tutorial for details regarding plotting data and geometry. No prior experience with SCALE is required. You can follow along using SCALE 6.2 or 6.3-beta.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Enhancing Chemical Stability and Suppressing Ion Migration in CH 3 NH 3 PbI 3 Perovskite Solar Cells via Direct Backbone Attachment of Polyesters on Grain Boundaries

Organic–inorganic halide perovskites feature excellent optoelectronic properties but poor chemical stability. While passivating perovskite grain boundary (GB) by polymers shows prospects on long-term performance of perovskite solar cells (PSCs), its detailed impact on the ion migration phenomenon, which largely deteriorates the PSC stability, remains less probed. In this work, we introduce a new polar polymer, polycaprolactone (PCL), to passivate GBs of methylammonium lead triiodide (MAPbI 3 ) perovskite with only 1–2 polymer monolayers via direct backbone attachment. The PSCs with passivated MAPbI 3 , using a classic but less stable Spiro-OMeTAD (2,2',7,7'-tetrakis[N,N-di(4-methoxyphenyl)amino]-9,9'-spirobifluorene) hole transport layer (HTL), exhibit improved power conversion efficiencies up to 20.1%, with 90% of the initial PCE being preserved after 400 h ambient storage, and 80% even after 100 h, 85 °C aging. The improved PSC stability indicates critical roles of PCL GB passivation in retarding moisture-induced decomposition and suppressing ion migration within the perovskite. Furthermore, time-of-flight secondary ion mass spectrometry reveals that I– ions can actively migrate into the electrode, HTL, and their interface in nonpassivated PSCs, even without an externally applied electric field, while such migration is significantly mitigated in PCL-passivated PSCs. This effective GB passivation by PCL suggests an important potential of polymer additives toward the development of stable high-performance PSCs.

36 MATERIALS SCIENCE↗

An attention-based neural ordinary differential equation framework for modeling inelastic processes

To preserve strictly conservative behavior as well as model the variety of dissipative behavior displayed by solid materials, we propose a significant enhancement to the internal state variable-neural ordinary differential equation (ISV-NODE) framework. In this data-driven, physics-constrained modeling framework internal states are inferred rather than prescribed. The ISV-NODE consists of: (a) a stress model dependent on observable deformation and inferred internal state, and (b) a model of the evolution of the internal states. The enhancements to ISV-NODE proposed in this work are multifold: (a) a partially input convex neural network stress potential provides polyconvexity in terms of observed strain while leaving the inferred state unconstrained, and (b) an internal state flow model uses common latent features to inform novel attention-based gating and drives the flow of internal state only in dissipative regimes. We demonstrated that this architecture can accurately model dissipative and conservative behavior across an isotropic, isothermal elastic-viscoelastic-elastoplastic spectrum with three exemplars, while maintaining fundamental principles by design.

97 MATHEMATICS AND COMPUTING↗

Functional patterns in an annual grassland during an AVIRIS overflight

This study relates Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) imagery to ground measurements of vegetation distribution, physiology, and productivity at Stanford University's Jasper Ridge Biological Preserve. Primary efforts focused on a 9-ha region of annual grassland where we completed a detailed ground-based study in conjunction with a 15 May 1991 AVIRIS overflight. Spectral mixture analysis and the normalized difference vegetation index (NDVI) calculated from AVIRIS data were used to evaluate spatial patterns of vegetation type, productivity, and potential physiological activity. Concurrent ground sampling revealed a high degree of correlation between NDVI and estimates of canopy chemistry, structure, productivity, and CO2 flux, supporting the use of imaging spectrometry to estimate spatial and temporal trends in vegetation physiology and productivity in this relatively simple grassland ecosystem. Geostatistical analyses of both ground and AVIRIS data supported the conclusion that the AVIRIS pixel size was suitable for describing the influence of major landscape features in this grassland and that spatial detail would be lost at slightly larger pixel sizes typical of other imaging spectrometers.

Gamon, John A.↗

Disentangling the chemistry of Australian plant exudates from a unique historical collection

For thousands of years, the unique physicochemical properties of plant exudates have defined uses in material culture and practical applications. Native Australian plant exudates, including resins, kinos, and gums, have been used and continue to be used by Aboriginal Australians for numerous technical and cultural purposes. A historic collection of well-preserved native Australian plant exudates, assembled a century ago by plant naturalists, gives a rare window into the history and chemical composition of these materials. Here we report the full hierarchical characterization of four genera from this collection, Xanthorrhoea, Callitris, Eucalyptus, and Acacia, from the local elemental speciation, to functional groups and main molecular markers. We use high-resolution X-ray Raman spectroscopy (XRS) to achieve bulk-sensitive chemical speciation of these plant exudates, including insoluble, amorphous, and cross-linked fractions, without the limitation of invasive and/or surface specific methods. Combinatorial testing of the XRS data allows direct classification of these complex natural species as terpenoid, aromatic, phenolic, and polysaccharide materials. Differences in intragenera chemistry was evidenced by detailed interpretation of the XRS spectral features. We complement XRS with Fourier-transform infrared (FT-IR) spectroscopy, gas chromatography–mass spectrometry (GC-MS), and pyrolysis–GC-MS (Py-GC-MS). This multimodal approach provides a fundamental understanding of the chemistry of these natural materials long used by Aboriginal Australian peoples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improving the Transportability of a Deep Learning Denoising Model Using Transfer Learning Techniques

The adoption of machine learning techniques in the seismology community has led to great performance improvements in several areas, including signal processing. Specifically, the development of deep learning–based seismic waveform denoising models has the potential to yield improvements in signal detection capabilities for networks operating in particularly noisy environments. Recent advancements in the design of these deep learning denoising models have included the incorporation of continuous and discrete wavelet transform functions into the network architecture to improve the learning capabilities and efficiency of said models. These wavelet transform–based seismic denoising models have shown improved denoising capabilities in regions where there is good agreement between the data features present in the training and evaluation datasets. However, questions remain about the overall transportability of these models to other monitoring regions. Here, in this study, we will determine the baseline transportability of a newly developed multilevel wavelet‐transform convolutional neural network (MWCNN) seismic denoising model. We accomplish this by taking a version of the MWCNN denoising model trained on data collected from the Utah region and evaluating its denoising performance on datasets collected from the neighboring Nevada region, which differ with regard to monitoring sensor types and event histories. We find that there is a notable variability in denoising performance related to the degree of similarity between the initial and new target datasets. The most notable difference in denoising performance is the ability of the denoising model to preserve accurate amplitude information associated with the signal energy present in the waveform data. Finally, we evaluate the ability of transfer learning techniques to improve the transportability of the MWCNN denoising model. We find that although there is still a performance gap present in the denoising results of the MWCNN model, transfer learning did yield improved results.

Quinones, Louis [Sandia National Laboratories (SNL↗

NEML2: A High Performance Library for Constitutive Modeling

NEML2, the New Engineering Material model Library, version 2, is an offshoot of NEML, an earlier material modeling code developed at Argonne National Laboratory. NEML2 extends the key philosophy of its predecessor, i.e., material models are flexible, modular, and can be built from smaller blocks. It also provides modern features that do not exist in the framework of its predecessor such as material model vectorization, automatic differentiation, device-portable just-in-time compilation, operator fusion, lazy tensor evaluation, etc. Moreover, NEML2 can seamlessly integrate with the popular machine learning package PyTorch to take advantage of modern and fast-growing machine learning techniques. In this fiscal year, the development of core library features and capabilities are complete. The purpose of this report is not to serve as a verbatim copy of the software API reference (which is available online at https://reverendbedford.github.io/neml2/). Instead, this report documents the motivation, implementation, design choices, and usage of each core capability as well as their applications in solving practical engineering problems. This report is compiled based on the NEML2 major release 2.0.0.

36 MATERIALS SCIENCE↗

Design, development and commissioning of a multi-alkali semiconductor photocathode deposition system for the IUAC Delhi light source photoinjector

A fourth-generation light source, called Delhi Light Source (DLS) based on photocathode-based RF gun has been commissioned at Inter-University Accelerator Centre, New Delhi. Presently, the electron beam is being generated from copper photocathode and the beam is being used for scheduled experiments. Soon, the semiconductor photocathode will be used to produce higher beam current. Here, to develop the semiconductor photocathode, a dedicated photocathode deposition facility was developed in collaboration with Brookhaven national Laboratory (BNL) and has been successfully commissioned and becomes operational at IUAC. This deposition facility is an integrated system with the electron gun and is a unique system as it is capable of producing, preserving (without residual gas poisoning) and in-vacuum transfer of the deposited photocathodes from the deposition chamber up to the RF electron gun. The system is designed to operate under ultra-high vacuum (UHV) and is equipped with load-lock chambers, substrate heating assembly, thickness monitoring via a quartz crystal microbalance (QCM), and an in-situ setup for quantum efficiency (QE) measurements. After testing of all the subsystems and a detailed calibration, the first deposition of a cesium telluride (Cs 2 Te) photocathode was successfully performed on a copper (Cu) substrate. This successful commissioning and initial deposition mark a significant step toward the indigenous photocathode development and lays the groundwork for further research into advanced photo emissive materials at IUAC. This paper will discuss the salient features, installation, commissioning, first semiconductor photocathode deposition and its results.

47 OTHER INSTRUMENTATION↗

Air Traffic Management Blockchain Infrastructure for Security, Authentication, and Privacy

Current radar-based air traffic service providers may preserve privacy for military and corporate operations by procedurally preventing public release of selected flight plans, position, and state data. The FAA mandate for national adoption of Automatic Dependent Surveillance Broadcast (ADS-B) in 2020 does not include provisions for maintaining these same aircraft-privacy options, nor does it address the potential for spoofing, denial of service, and other well-documented risk factors. This paper presents an engineering prototype that embodies a design and method that may be applied to mitigate these ADS-B security issues. The design innovation is the use of an open source permissioned blockchain framework to enable aircraft privacy and anonymity while providing a secure and efficient method for communication with Air Traffic Services, Operations Support, or other authorized entities. This framework features certificate authority, smart contract support, and higher-bandwidth communication channels for private information that may be used for secure communication between any specific aircraft and any particular authorized member, sharing data in accordance with the terms specified in the form of smart contracts. The prototype demonstrates how this method can be economically and rapidly deployed in a scalable modular environment.

air traffic privacy & authentication↗

Air Traffic Management Blockchain Infrastructure for Security, Authentication, and Privacy

Current radar-based air traffic service providers may preserve privacy for military and corporate operations by procedurally preventing public release of selected flight plans, position, and state data. The FAA mandate for national adoption of Automatic Dependent Surveillance Broadcast (ADS-B) in 2020 does not include provisions for maintaining these same aircraft-privacy options, nor does it address the potential for spoofing, denial of service, and other well-documented risk factors. This paper presents an engineering prototype that embodies a design and method that may be applied to mitigate these ADS-B security issues. The design innovation is the use of an open source permissioned blockchain framework to enable aircraft privacy and anonymity while providing a secure and efficient method for communication with Air Traffic Services, Operations Support, or other authorized entities. This framework features certificate authority, smart contract support, and higher-bandwidth communication channels for private information that may be used for secure communication between any specific aircraft and any particular authorized member, sharing data in accordance with the terms specified in the form of smart contracts. The prototype demonstrates how this method can be economically and rapidly deployed in a scalable modular environment.

ADS-B cybersecurity↗

Paleoenvironmental distribution of microfossils and stromatolites in the Upper Proterozoic Backlundtoppen Formation, Spitsbergen

The Upper Proterozoic (ca. 700-800 Ma old) Backlundtoppen Formation, northeastern Spitsbergen, preserves an abundant and varied record of ancient microbial life. Five distinctive microfossil assemblages occur in five equally distinct sedimentary settings; differences among the assemblages appear to reflect original ecological heterogeneity, although taphonomic circumstance may contribute to some distinctions. Microfossil assemblages occur in: oncolites, oolites, and pisolites; stratiform stromatolites and associated intraclastic rudites; partially silicified micrites; and siltites interbedded with quartz arenites. Individual assemblages contain one to eight differentiable taxa; a minimum of 17 distinct populations is present in the formation as a whole. Additional microbial community diversity an be inferred from the presence of domal, columnar, pseudocolumnar, and coniform stromatolites, none of which contains microfossils. On the basis of macrostructure, four stromatolite types appear to be present, but only three distinct mat-building communities can be inferred from microstructural features. Eohyella elongata n. sp., a euendolithic cyanobacterium found in silicified pisolites, is described as new.

Non-NASA Center↗

Not just for programmers: How GitHub can accelerate collaborative and reproducible research in ecology and evolution

Abstract Researchers in ecology and evolutionary biology are increasingly dependent on computational code to conduct research. Hence, the use of efficient methods to share, reproduce, and collaborate on code as well as document research is fundamental. GitHub is an online, cloud‐based service that can help researchers track, organize, discuss, share, and collaborate on software and other materials related to research production, including data, code for analyses, and protocols. Despite these benefits, the use of GitHub in ecology and evolution is not widespread. To help researchers in ecology and evolution adopt useful features from GitHub to improve their research workflows, we review 12 practical ways to use the platform. We outline features ranging from low to high technical difficulty, including storing code, managing projects, coding collaboratively, conducting peer review, writing a manuscript, and using automated and continuous integration to streamline analyses. Given that members of a research team may have different technical skills and responsibilities, we describe how the optimal use of GitHub features may vary among members of a research collaboration. As more ecologists and evolutionary biologists establish their workflows using GitHub, the field can continue to push the boundaries of collaborative, transparent, and open research.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Unique strategies for technical information management at Johnson Space Center

In addition to the current NASA manned programs, the maturation of Space Station and the introduction of the Space Exploration programs are anticipated to add substantially to the number and variety of data and documentation at NASA Johnson Space Center (JSC). This growth in the next decade has been estimated at five to ten fold compared to the current numbers. There will be an increased requirement for the tracking and currency of space program data and documents with National pressures to realize economic benefits from the research and technological developments of space programs. From a global perspective the demand for NASA's technical data and documentation is anticipated to increase at local, national, and international levels. The primary users will be government, industry, and academia. In our present national strategy, NASA's research and technology will assume a great role in the revitalization of the economy and gaining international competitiveness. Thus, greater demand will be placed on NASA's data and documentation resources. In this paper the strategies and procedures developed by DDMS, Inc., to accommodate the present and future information utilization needs are presented. The DDMS, Inc., strategies and procedures rely on understanding user requirements, library management issues, and technological applications for acquiring, searching, storing, and retrieving specific information accurately and quickly. The proposed approach responds to changing customer requirements and product deliveries. The unique features of the proposed strategy include: (1) To establish customer driven data and documentation management through an innovative and unique methods to identify needs and requirements. (2) To implement a structured process which responds to user needs, aimed at minimizing costs and maximizing services, resulting in increased productivity. (3) To provide a process of standardization of services and procedures. This standardization is the central theme of the strategic approach. It will allow Division level Data and Documentation Libraries (DDL's) to function independently and optimize efficiency at the Directorate level. This process also facilitates interconnectivity between Division level DDL's and makes them transparent to the users. (4) To implement the process of 'cost savings', and at the same time the objective is to gain substantial improvement in the organization, categorization, and preservation of JSC-generated data and documentation, and (5) To find, locate, retrace, restore, and preserve the Center-generated crucial scientific and technical information that has been and is being provided by the engineers and scientists of JSC. This is important to the preservation of 'lessons learned'. Preliminary estimates of the possible cost savings which will result from the implementation of this process will also be discussed in this paper.

Krishen, Vijay↗

Adapted laboratory evolution of Thermotoga sp. strain RQ7 under carbon starvation

Abstract Objective Adaptive laboratory evolution (ALE) is an effective approach to study the evolution behavior of bacterial cultures and to select for strains with desired metabolic features. In this study, we explored the possibility of evolving Thermotoga sp. strain RQ7 for cellulose-degrading abilities. Results Wild type RQ7 strain was subject to a series of transfers over six and half years with cellulose filter paper as the main and eventually the sole carbon source. Each transfer was accompanied with the addition of 50 μg of Caldicellulosiruptor saccharolyticus DSM 8903 genomic DNA. A total of 331 transfers were completed. No cellulose degradation was observed with the RQ7 cultures. Thirty three (33) isolates from six time points were sampled and sequenced. Nineteen (19) of the 33 isolates were unique, and the rest were duplicated clones. None of the isolates acquired C. saccharolyticus DNA, but all accumulated small-scale mutations throughout their genomes. Sequence analyses revealed 35 mutations that were preserved throughout the generations and another 15 mutations emerged near the end of the study. Many of the affected genes participate in phosphate metabolism, substrate transport, stress response, sensory transduction, and gene regulation.

54 ENVIRONMENTAL SCIENCES↗

Elucidating the morphology and ecology of Eoandromeda octobrachiata from the Ediacaran of South Australia

Eoandromeda octobrachiata is a poorly understood Ediacaran organism, with spiral octoradial arms, found in South Australia and South China. The informal Nilpena member of the Rawnsley Quartzite, Flinders Ranges in South Australia preserves more than 200 specimens of Eoandromeda. Here we use the novel application of rotational geometric morphometrics together with palaeoenvironmental information to provide a better insight into their palaeobiology and ecology, and to address conflicting hypotheses regarding mode of life and taxonomic affinity. We find that Eoandromeda probably had a radially symmetrical shape in life, was cone shaped and had a high relief off the microbial mat. Analysis of the symmetric and asymmetric shape components showed that they deform strongly in the direction of palaeocurrent, therefore they are thought to be made of a flexible material. Almost all specimens are compressed flat. Specimens that appear to have not fully collapsed support the idea that Eoandromeda was probably cone shaped and suggest that they possibly collapsed spirally. Our shape analysis, along with observed morphological features, support a benthic rather than pelagic mode of life. Morphological and ecological inconsistencies do not fully support the hypothesis of a Ctenophora taxonomic affinity.

Tory L. Botha↗

Numerical Experiment with Time and Spatial Accuracy of Navier-Stokes Computation For Helicopter Problems

Helicopter flowfields are highly unsteady, nonlinear and three-dimensional. In forward flight and in hover, the rotor blades interact with the tip vortex and wake sheet developed by either itself or the other blades. This interaction, known as blade-vortex interactions (BVI), results in unsteady loading of the blades and can cause a distinctive acoustic signature. Accurate and cost-effective computational fluid dynamic solutions that capture blade-vortex interactions can help rotor designers and engineers to predict rotor performance and to develop designs for low acoustic signature. Such a predictive method must preserve a blade's shed vortex for several blade revolutions before being dissipated. A number of researchers have explored the requirements for this task. This paper will outline some new capabilities that have been added to the NASA Ames' OVERFLOW code to improve its overall accuracy for both vortex capturing and unsteady flows. To highlight these improvements, a number of case studies will be presented. These case studies consist of free convection of a 2-dimensional vortex, dynamically pitching 2-D airfoil including light-stall, and a full 3-D unsteady viscous solution of a helicopter rotor in forward flight In this study both central and upwind difference schemes are modified to be more accurate. Central difference scheme is chosen for this simulation because the flowfield is not dominated by strong shocks. The feature of shock-vortex interaction in such a flow is less important than the dominant blade-vortex interaction. The scheme is second-order accurate in time and solves the thin-layer Navier-Stokes equations in fully-implicit manner at each time-step. The spatial accuracy is either second and fourth-order central difference or third-order upwind difference using Roe-flux and MUSCLE scheme. This paper will highlight and demonstrate the methods for several sample cases and for a helicopter rotor. Preliminary computations on a rotor were performed by using this method and are in the process of documentation.

Ahmad, Jasim↗

Uncertainty Quantification for Multiphase Computational Fluid Dynamics Closure Relations with a Physics-Informed Bayesian Approach

Multiphase Computational Fluid Dynamics (MCFD) based on the two-fluid model is considered a promising tool to model complex two-phase flow systems. MCFD simulation can predict local flow features without resolving interfacial information. As a result, the MCFD solver relies on closure relations to describe the interaction between the two phases. Those empirical or semi-mechanistic closure relations constitute a major source of uncertainty for MCFD predictions. In this paper, we leverage a physics-informed uncertainty quantification (UQ) approach to inversely quantify the closure relations’ model form uncertainty in a physically consistent manner. This proposed approach considers the model form uncertainty terms as stochastic fields that are additive to the closure relation outputs. Combining dimensionality reduction and Gaussian processes, the posterior distribution of the stochastic fields can be effectively quantified within the Bayesian framework with the support of experimental measurements. As this UQ approach is fully integrated into the MCFD solving process, the physical constraints of the system can be naturally preserved in the UQ results. Here, in a case study of adiabatic bubbly flow, we demonstrate that this UQ approach can quantify the model form uncertainty of the MCFD interfacial force closure relations, thus effectively improving the simulation results with relatively sparse data support.

42 ENGINEERING↗

Sulfur-oxygen processes on Io

Laboratory studies of irradiated sulfur dioxide frost have found that sulfur trioxide should be formed as a consequence of the irradiation process. The spectral reflectance of solid sulfur trioxide was measured in the laboratory and it was found that the compound has strong absorption features at 3.37 and 3.70 microns. These features are not present in the spectral geometric albedo of Io. This is interpreted as an indication that sulfur trioxide may exist in such limited abundance that it is undetectable in disk averaged spectrophotometry. It is suggested that the Near-Infrared Mapping Spectrometer on the Galileo spacecraft should be able to identify condensed sulfur trioxide on Io particularly in regions bordering the sulfur dioxide deposits. The presence of elemental sulfur on Io's surface has been questioned on several grounds, most notably the suggested production process (quenched molten sulfur extrusions) and the effect of radiation (particularly X-rays) on some of the allotropes. Mixtures of sulfur allotropes were produced in the laboratory by quenching molten sulfur and it was found that the spectra indicate the presence of certain red-colored allotropes which are preserved upon quenching. The color of the sulfur glass produced is redder when the temperature of the original melt is higher. This is consistent with the suggestion that Io's spectral geometric albedo can be partly explained by the presence of quenched sulfur glasses.

Nelson, Robert M.↗