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At least 829 records · Page 46

Scoreboard

Emerging HPC machines have given rise to enhanced compute power that far outstrips the machine's ability to save large scale results for post-processing. To combat this, in situ data analysis techniques are slowly being adopted. With in situ data management favoring workflows composed of multiple simulations and analyses connected in transit on heterogeneous machines, scientists and engineers need a tool that enables them to create data extracts, visualizations, and interactively monitor and steer their simulations. Scoreboard Phase II is a next generation analysis software that supports composite in transit workflows on heterogeneous architectures and restores interactivity to in situ data analysis through simulation monitoring and computational steering. Scoreboard provides a simulation dashboard with graphs of metrics over time, controls for setting custom simulation steering parameters, controls for managing the set of data extracts being produced in the simulation, as well as the ability to explore data extracts, all from a web browser. Realizing the vision outlined in this project required research into making a system that integrates end to end from simulations all the way to the user. In situ tools generally suffer from complexity and excessive software dependencies. Scoreboard, by contrast, is easy to build and integrate into simulation codes and it provides first class FORTRAN support. The Scoreboard library is capable of in situ and in transit data analysis that can produce data extracts commonly needed for Computational Fluid Dynamics (CFD) analysis. Simulations can transparently stage data in transit to a Scoreboard Endpoint program, which can accept their data and produce the requested data extracts. This lets simulations return to their work while the Endpoint works on the analysis. Efficiently staging the data at scale was a topic of this research. Scoreboard provides the means to let the user manage data extracts and monitor/steer many simulations from a web browser. This area of the research focused on discovery of in transit network components to expose and control their steering parameters within an interactive browser-based user interface that includes: system topology, gathered metrics, notifications, dynamically-generated steering controls, and exploration of visualization data products.

Whitlock, BradJoseph [Intelligent Light] (00000001↗

Generalizable, fast, and accurate DeepQSPR with fastprop

Abstract Quantitative Structure–Property Relationship studies (QSPR), often referred to interchangeably as QSAR, seek to establish a mapping between molecular structure and an arbitrary target property. Historically this was done on a target-by-target basis with new descriptors being devised to specifically map to a given target. Today software packages exist that calculate thousands of these descriptors, enabling general modeling typically with classical and machine learning methods. Also present today are learned representation methods in which deep learning models generate a target-specific representation during training. The former requires less training data and offers improved speed and interpretability while the latter offers excellent generality, while the intersection of the two remains under-explored. This paper introduces , a software package and general Deep-QSPR framework that combines a cogent set of molecular descriptors with deep learning to achieve state-of-the-art performance on datasets ranging from tens to tens of thousands of molecules. provides both a user-friendly Command Line Interface and highly interoperable set of Python modules for the training and deployment of feedforward neural networks for property prediction. This approach yields improvements in speed and interpretability over existing methods while statistically equaling or exceeding their performance across most of the tested benchmarks. is designed with Research Software Engineering best practices and is free and open source, hosted at github.com/jacksonburns/fastprop.

Burns, Jackson W. (ORCID:0000000206579426)↗

Cloud type separation by spectral differencing of image pairs

A technique is presented for discriminating different cloud types through an image subtraction of visible and infrared SMS/GOES picture pairs. The technique emphasizes how one could separate snow from clouds and identify cirrus by the subtraction method. Quantitative threshold values are shown which can be used in an objective manner to make this separation. Use is made of an all-digital image display device allowing such mathematical operations to be performed on satellite data. Techniques such as this can be made operational through the interfacing of the image analysis system with a direct-readout SMS/GOES ground station and distribution network.

Reynolds, D. W.↗

A real-time dynamic spacecraft simulator for the LANDSAT-D mission

A real time dynamic simulator for LANDSAT D was developed and has played an integral role in the development and validation of both the ground control system and of the on-board flight software. The simulator utilized an electronic replica of the spacecraft on-board computer and data handling hardware interfaced to a VAX 11/780 computer and simulation software. Key features of the simulator design are a modular software architecture tailored to the VAX/VMS real time capabilities, a microprocessor controlled interface between the VAX and the flight hardware replica, complete simulation of the spacecraft and NASA network communication links, and a flexible and powerful scenario structuring and operator control capability. The design goals and trade-offs, software, and hardware design are summarized. The application of the simulator to the validation of both the ground systems and on-board software is reviewed in detail.

Coffin, A. R.↗

Local-Area-Network Simulator

Local Area Network Extensible Simulator (LANES) computer program provides method for simulating performance of high-speed local-area-network (LAN) technology. Developed as design and analysis software tool for networking computers on board proposed Space Station. Load, network, link, and physical layers of layered network architecture all modeled. Mathematically models according to different lower-layer protocols: Fiber Distributed Data Interface (FDDI) and Star*Bus. Written in FORTRAN 77.

Gibson, Jim↗

Automatic programming of simulation models

The concepts of software engineering were used to improve the simulation modeling environment. Emphasis was placed on the application of an element of rapid prototyping, or automatic programming, to assist the modeler define the problem specification. Then, once the problem specification has been defined, an automatic code generator is used to write the simulation code. The following two domains were selected for evaluating the concepts of software engineering for discrete event simulation: manufacturing domain and a spacecraft countdown network sequence. The specific tasks were to: (1) define the software requirements for a graphical user interface to the Automatic Manufacturing Programming System (AMPS) system; (2) develop a graphical user interface for AMPS; and (3) compare the AMPS graphical interface with the AMPS interactive user interface.

Schroer, Bernard J.↗

Distribution Systems Planning and Analysis Framework for Indian Feeders - Partnership with BSES/BRPL

Integration of distributed energy resources (DER) such as photovoltaics, electric vehicles (EVs) and battery energy storage systems (BESS) is expected to rapidly increase in distribution systems in India. These grid edge resources can have adverse impacts on the grid and can provide additional revenue streams as well. To mitigate these impacts distribution planning and analysis is required. So this paper presents a framework which can be used to complete all steps involved in distribution planning and analysis. This framework uses data in the same format as is readily available with Indian utilities and processes it to generate detailed feeder models and loading profiles. This framework already includes multiple DER use cases such as peak shaving for BESS and EV demand modelling and can be easily extended to simulate a number of additional use cases. All of these use cases can be simulated in parallel for multi-year time series simulations using an integrated command line interface. A suit of grid readiness metrics are then evaluated for each simulation to determine required network upgrades and associated costs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Distribution Systems Planning and Analysis Framework for Indian Feeders: Preprint

Integration of distributed energy resources (DER) such as photovoltaics, electric vehicles (EVs) and battery energy storage systems (BESS) is expected to rapidly increase in distribution systems in India. These grid edge resources can have adverse impacts on the grid and can provide additional revenue streams as well. To mitigate these impacts distribution planning and analysis is required. So this paper presents a framework which can be used to complete all steps involved in distribution planning and analysis. This framework uses data in the same format as is readily available with Indian utilities and processes it to generate detailed feeder models and loading profiles. This framework already includes multiple DER use cases such as peak shaving for BESS and EV demand modelling and can be easily extended to simulate a number of additional use cases. All of these use cases can be simulated in parallel for multi-year time series simulations using an integrated command line interface. A suit of grid readiness metrics are then evaluated for each simulation to determine required network upgrades and associated costs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Integrated Circuit Chip Improves Network Efficiency

Prior to 1999 and the development of SpaceWire, a standard for high-speed links for computer networks managed by the European Space Agency (ESA), there was no high-speed communications protocol for flight electronics. Onboard computers, processing units, and other electronics had to be designed for individual projects and then redesigned for subsequent projects, which increased development periods, costs, and risks. After adopting the SpaceWire protocol in 2000, NASA implemented the standard on the Swift mission, a gamma ray burst-alert telescope launched in November 2004. Scientists and developers on the James Webb Space Telescope further developed the network version of SpaceWire. In essence, SpaceWire enables more science missions at a lower cost, because it provides a standard interface between flight electronics components; new systems need not be custom built to accommodate individual missions, so electronics can be reused. New protocols are helping to standardize higher layers of computer communication. Goddard Space Flight Center improved on the ESA-developed SpaceWire by enabling standard protocols, which included defining quality of service and supporting plug-and-play capabilities. Goddard upgraded SpaceWire to make the routers more efficient and reliable, with features including redundant cables, simultaneous discrete broadcast pulses, prevention of network blockage, and improved verification. Redundant cables simplify management because the user does not need to worry about which connection is available, and simultaneous broadcast signals allow multiple users to broadcast low-latency side-band signal pulses across the network using the same resources for data communication. Additional features have been added to the SpaceWire switch to prevent network blockage so that more robust networks can be designed. Goddard s verification environment for the link-and-switch implementation continuously randomizes and tests different parts, constantly anticipating situations, which helps improve communications reliability. It has been tested in many different implementations for compatibility.

Source record↗

Contact Resistance of Carbon–Li x (Ni,Mn,Co)O 2 Interfaces

Abstract Electronic resistance in lithium‐ion battery positive electrodes is typically attributed to the bulk resistance of the active material and the network resistance of the carbon additive. Expected overpotentials from these bulk components are minimal relative to that from charge‐transfer resistance. However, literature reports show that cell overpotentials are often much more sensitive to conductive additives than the expected level from bulk or percolating‐network transport. This discrepancy motivated a detailed examination of the contact resistance between the active material and conductive additive. The contact and bulk resistances are simultaneously measured using dense bar samples of lithium‐layered oxides (Li x Ni 1 /3 Mn 1/3 Co 1/3 O 2 and Li x Ni 0.5 Mn 0.3 Co 0.2 O 2 ) in contact with carbon black. It is found that the contact resistance dominates the overall electronic resistance when the length scale is smaller than millimeters; after correcting for contact effects, bulk conductivity of layered oxides is determined to be orders‐of‐magnitude higher than previously reported. In porous electrodes, it is found from three‐electrode electrochemical impedance spectroscopy that the carbon content most heavily influences the low‐frequency regime (≈0.01 Hz), as opposed to the high frequency (>10 3 Hz) regime expected from electronic percolating properties. Constriction effects within the layered oxide are identified as the dominant mechanism for contact resistance and its implication is investigated for porous electrodes.

Kuo, Jimmy Jiahong↗

Interfacial Nanostructure and Hydrogen Bond Networks of Choline Chloride and Glycerol Mixtures Probed with X-ray and Vibrational Spectroscopies

The molecular distribution at the liquid-vapor interface and evolution of the hydrogen bond interactions in mixtures of glycerol and choline chloride are investigated using X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy. Nanoscale depth profiles of supersaturated deep eutectic solvent (DES) mixtures up to ~2 nm measured by ambient-pressure XPS show the enhancement of choline cation (Ch + ) concentration by a factor of 2 at the liquid-vapor interface compared to the bulk. In addition, Raman spectral analysis of a wide range of DES mixtures reveals the conversion of gauche-conformer Ch + into the anti-conformer in relatively lower ChCl concentrations. Finally, the depletion of Ch + from the interface (probing depth = 0.4 nm) is demonstrated by aerosol-based velocity map imaging XPS measurements of glyceline and water mixtures. The nanostructure of liquid-vapor interfaces and structural rearrangement by hydration can provide critical insight into the molecular origin of the deep eutectic behavior and gas-capturing application of DESs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Backplane Design Considerations for High Speed SpaceWire Networks

SpaceWire is becoming a preferred protocol for board to board communication over a backplane in addition to its existing use over cabled interfaces, replacing other protocols due to its simplicity and readily available flight quality physical layer devices, IP cores and test equipment. However, without specific guidelines for implementing SpaceWire over a backplane, designers are left to make trade decisions regarding connector selection, layout design rules and test accessibility issues. This paper will discuss NASA's Goddard Space Flight Center s implementation of high speed SpaceWire over backplane on James Webb Space Telescope and other missions.

Pagen, Shahana Aziz↗

Mesoscale Modeling of Hydrogels Under Frictional Shear Stress

Hydrogels are three-dimensional networks of hydrophilic polymers often used as a simplified model of hydrated biological materials, from cartilaginous joints to the ocular tear film. However, the lubrication mechanisms of hydrogels remain poorly understood, partly due to their complex polymeric structure, which creates blurred interfaces during sliding that are challenging to study experimentally. In this study, we employ dissipative particle dynamics (DPD) to investigate the frictional behavior of a polymeric hydrogel network sliding against a solid wall in an explicit viscous solvent. This computational approach enables us to model hydrodynamic interactions and mesoscale polymer dynamics, capturing key aspects of hydrogel friction. Our simulations reveal that hydrogel friction is governed by the interplay between polymer relaxation and viscous shear, characterized by the Weissenberg number (Wi). At low Wi, friction coefficient remain nearly constant, dominated by polymer relaxation. However, at higher Wi, friction is dominated by viscous drag within a near-wall solvent layer, leading to a linear increase in friction coefficient with Wi. Furthermore, our results demonstrate an inverse relationship between the friction coefficient and the applied normal load, consistent with experimental observations. This work provides new insights into the fundamental tribological properties of hydrogels, shedding light on the micromechanics of hydrogel friction. Improving our understanding of hydrogel structure and dynamics under friction advances our knowledge of the mechanisms regulating biological lubrication in health and disease.

36 MATERIALS SCIENCE↗

Development of an e-VLBI Data Transport Software Suite with VDIF

We have developed a software library (KVTP-lib) for VLBI data transmission over the network with the VDIF (VLBI Data Interchange Format), which is the newly proposed standard VLBI data format designed for electronic data transfer over the network. The software package keeps the application layer (VDIF frame) and the transmission layer separate, so that each layer can be developed efficiently. The real-time VLBI data transmission tool sudp-send is an application tool based on the KVTP-lib library. sudp-send captures the VLBI data stream from the VSI-H interface with the K5/VSI PC-board and writes the data to file in standard Linux file format or transmits it to the network using the simple- UDP (SUDP) protocol. Another tool, sudp-recv , receives the data stream from the network and writes the data to file in a specific VLBI format (K5/VSSP, VDIF, or Mark 5B). This software system has been implemented on the Wettzell Tsukuba baseline; evaluation before operational employment is under way.

Sekido, Mamoru↗

Satellite ATM Networks: Architectures and Guidelines Developed

An important element of satellite-supported asynchronous transfer mode (ATM) networking will involve support for the routing and rerouting of active connections. Work published under the auspices of the Telecommunications Industry Association (http://www.tiaonline.org), describes basic architectures and routing protocol issues for satellite ATM (SATATM) networks. The architectures and issues identified will serve as a basis for further development of technical specifications for these SATATM networks. Three ATM network architectures for bent pipe satellites and three ATM network architectures for satellites with onboard ATM switches were developed. The architectures differ from one another in terms of required level of mobility, supported data rates, supported terrestrial interfaces, and onboard processing and switching requirements. The documentation addresses low-, middle-, and geosynchronous-Earth-orbit satellite configurations. The satellite environment may require real-time routing to support the mobility of end devices and nodes of the ATM network itself. This requires the network to be able to reroute active circuits in real time. In addition to supporting mobility, rerouting can also be used to (1) optimize network routing, (2) respond to changing quality-of-service requirements, and (3) provide a fault tolerance mechanism. Traffic management and control functions are necessary in ATM to ensure that the quality-of-service requirements associated with each connection are not violated and also to provide flow and congestion control functions. Functions related to traffic management were identified and described. Most of these traffic management functions will be supported by on-ground ATM switches, but in a hybrid terrestrial-satellite ATM network, some of the traffic management functions may have to be supported by the onboard satellite ATM switch. Future work is planned to examine the tradeoffs of placing traffic management functions onboard a satellite as opposed to implementing those functions at the Earth station components.

vonDeak, Thomas C.↗

Phase Segmentation in Atom-Probe Tomography Using Deep Learning-Based Edge Detection

Abstract Atom-probe tomography (APT) facilitates nano- and atomic-scale characterization and analysis of microstructural features. Specifically, APT is well suited to study the interfacial properties of granular or heterophase systems. Traditionally, the identification of the interface between, for precipitate and matrix phases, in APT data has been obtained either by extracting iso-concentration surfaces based on a user-supplied concentration value or by manually perturbing the concentration value until the iso-concentration surface qualitatively matches the interface. These approaches are subjective, not scalable, and may lead to inconsistencies due to local composition inhomogeneities. We introduce a digital image segmentation approach based on deep neural networks that transfer learned knowledge from natural images to automatically segment the data obtained from APT into different phases. This approach not only provides an efficient way to segment the data and extract interfacial properties but does so without the need for expensive interface labeling for training the segmentation model. We consider here a system with a precipitate phase in a matrix and with three different interface modalities—layered, isolated, and interconnected—that are obtained for different relative geometries of the precipitate phase. We demonstrate the accuracy of our segmentation approach through qualitative visualization of the interfaces, as well as through quantitative comparisons with proximity histograms obtained by using more traditional approaches.

47 OTHER INSTRUMENTATION↗

Going End to End to Deliver High-Speed Data

By the end of the 1990s, the optical fiber "backbone" of the telecommunication and data-communication networks had evolved from megabits-per-second transmission rates to gigabits-per-second transmission rates. Despite this boom in bandwidth, however, users at the end nodes were still not being reached on a consistent basis. (An end node is any device that does not behave like a router or a managed hub or switch. Examples of end node objects are computers, printers, serial interface processor phones, and unmanaged hubs and switches.) The primary reason that prevents bandwidth from reaching the end nodes is the complex local network topology that exists between the optical backbone and the end nodes. This complex network topology consists of several layers of routing and switch equipment which introduce potential congestion points and network latency. By breaking down the complex network topology, a true optical connection can be achieved. Access Optical Networks, Inc., is making this connection a reality with guidance from NASA s nondestructive evaluation experts.

Source record↗

Solute clustering in polycrystals: Unveiling the interplay of grain boundary junction and long-range solute attraction effects

Spectral analysis of local atomic environments has become a powerful tool for studying solute atom segregation and interactions at grain boundaries in nanocrystalline alloys. When applied to individual grain boundaries, the spectral analysis has shown that solute-solute interaction can be either attractive or repulsive, with long-range relative attraction enhancing the likelihood for solute atoms to begin clustering. In this article, we combine this analysis with a new grain-boundary structure descriptor based on grain-boundary atom coordination, to investigate the impact of grain-boundary junctions on solute atom segregation in polycrystals. Specifically, we systematically characterize the tendency of solute clusters to begin forming at various types of ordinary grain boundaries, triple junctions, and high-order junctions in Ag polycrystals containing either Ni or Cu solute atoms. Our findings demonstrate that the formation of solute clusters at grain boundaries is primarily driven by long-range relative solute attraction, rather than short-range solute-solute interactions. Furthermore, this effect is most pronounced near grain-boundary junctions. Our study highlights the multiscale nature of solute segregation at crystalline interfaces and provides new insights into the complex phenomena governing heterogeneous solute segregation in grain-boundary networks.

Grain-boundary junction↗