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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Experiments with simplified computed-torque controllers for free-flying robots

The effect of neglecting base accelerations in an inertial space endpoint computed-torque (CT) controller is examined. Numerical simulations predict a rather wide set of conditions under which CT controllers can neglect base accelerations in their dynamic model with insignificant performance degradation. Two predictions are experimentally verified with a laboratory robot. These two experiments show that negligible additional endpoint controller error results with a simplified CT controller for the given robot mass parameters and manipulator articulation.

Koningstein, R.↗
NASA NTRS1984

Test experience on an ultrareliable computer communication network

The dispersed sensor processing mesh (DSPM) is an experimental, ultra-reliable, fault-tolerant computer communications network that exhibits an organic-like ability to regenerate itself after suffering damage. The regeneration is accomplished by two routines - grow and repair. This paper discusses the DSPM concept for achieving fault tolerance and provides a brief description of the mechanization of both the experiment and the six-node experimental network. The main topic of this paper is the system performance of the growth algorithm contained in the grow routine. The characteristics imbued to DSPM by the growth algorithm are also discussed. Data from an experimental DSPM network and software simulation of larger DSPM-type networks are used to examine the inherent limitation on growth time by the growth algorithm and the relationship of growth time to network size and topology.

Abbott, L. W.↗
NASA NTRS1984

Test experience on an ultrareliable computer communication network

The dispersed sensor processing mesh (DSPM) is an experimental, ultrareliable, fault-tolerant computer communications network that exhibits an organic-like ability to regenerate itself after suffering damage. The regeneration is accomplished by two routines - grow and repair. This paper discusses the DSPM concept for achieving fault tolerance and provides a brief description of the mechanization of both the experiment and the six-node experimental network. The main topic of this paper is the system performance of the growth algorithm contained in the grow routine. The characteristics imbued to DSPM by the growth algorithm are also discussed. Data from an experimental DSPM network and software simulation of larger DSPM-type networks are used to examine the inherent limitation on growth time by the growth algorithm and the relationship of growth time to network size and topology.

Abbott, L. W.↗
NASA NTRSDate not supplied

Use of Assistive Technology to Augment API Capabilities

Application Programming Interfaces (APIs) allow for access to data and capabilities of computer applications by developers or users with experience in computer programming. Recent development with both Thermal Desktop and ESATAN-TMS have provided APIs to allow users to develop their own capabilities that interface with the Graphical User Interfaces (GUI) or manipulate the thermal model data. However, these APIs are only as good as the breadth of features in the native code accessible through the API. If a particular code’s feature is not accessible through the API, then users have very limited options besides waiting for updates to the API that expose the necessary functionality, particularly if model data access or user action, such as a button click, is required. However, Assistive Technology features that allow for users with a disability to more fully experience a software’s capabilities may be creatively utilized to gain further access to data and capabilities not yet exposed by the API. This paper describes the process to augment the features of the OpenTD API via assistive technology and describes how to identify the application instance, navigate GUI elements, updates values on forms, and execute actions such as selecting a listbox item or clicking a button. It concludes with identifying some of the pitfalls to avoid and describes methods to best implement this approach.

Application Programming Interface↗
NASA NTRSDate not supplied

Use of Assistive Technology to Augment API Capabilities

Application Programming Interfaces (APIs) allow for access to data and capabilities of computer applications by developers or users with experience in computer programming. Recent development with both Thermal Desktop and ESATAN-TMS have provided APIs to allow users to develop their own capabilities that interface with the Graphical User Interfaces (GUI) or manipulate the thermal model data. However, these APIs are only as good as the breadth of features in the native code accessible through the API; if a particular code’s feature is not accessible through the API, then users have very limited options besides waiting for updates to the API that expose the necessary functionality, particularly if model data access or user action, such as a button click, is required. However, Assistive Technology features that allow for differently-abled users to more fully experience a software’s capabilities may be creatively utilized to gain further access to data and capabilities not yet exposed by the API. This paper describes the process to augment the features of the OpenTD API via assistive technology and describes how to identify the application instance, navigate GUI elements, updates values on forms, and execute actions such as selecting a listbox item or clicking a button. It concludes with identifying some of the pitfalls to avoid and describes methods to best implement this approach.

Application Programming Interface↗
DOE OSTI2021

Probing polarization dynamics at specific domain configurations: Computer-vision based automated experiment in piezoresponse force microscopy

Topological defects in ferroelectric materials have attracted much attention due to the emergence of conductive, ferroic, and magnetic functionalities. However, many topological configurations dynamically evolve during the switching processes, making them a challenge to characterize via traditional techniques. Here, we implement an automated experimentation approach for the exploration of functional properties in BiFeO 3 thin films. Specifically, we visualize the ferroelectric domain structures via single frequency piezoresponse force microscopy and implement a computer vision-based algorithm to discover features of interest at which spectroscopic measurements are taken. Subsequently, we employ dimensionality reduction techniques to reveal characteristic polarization behaviors at these features. This approach can be extended to other spectroscopies and modalities to probe only specific features of interest, ultimately enabling dynamical processes in ferroelectrics to be studied.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Highly active Au/δ-MoC and Au/β-Mo 2 C catalysts for the low-temperature water gas shift reaction: effects of the carbide metal/carbon ratio on the catalyst performance

In this paper, the water gas shift (WGS) reaction catalyzed by orthorhombic β-Mo 2 C and cubic δ-MoC surfaces with and without Au clusters supported thereon has been studied by means of a combination of sophisticated experiments and state-of-the-art computational modeling. Experiments evidence the importance of the metal/carbon ratio on the performance of these systems, where Au/δ-MoC is presented as a suitable catalyst for WGS at low temperatures owing to its high activity, selectivity (only CO 2 and H 2 are detected), and stability (oxycarbides are not observed). Periodic density functional theory-based calculations show that the supported Au clusters and the Au/δ-MoC interface do not take part directly in water dissociation but their presence is crucial to switch the reaction mechanism, drastically decreasing the effect of the reverse WGS reaction and favoring the WGS products desorption, thus leading to an increase in CO 2 and H 2 production. Finally, the present results clearly display the importance of the Mo/C ratio and the synergy with the admetal clusters in tuning the activity and selectivity of the carbide substrate.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2000

Basic Electronic Design for Proposed NMSU Hitchhiker Payload

This document presents the bas'c hardware design developed by the EE 499 class during the spring semester of the 1999-2000 academic year. This design covers the electrical components to supply power to the experiments, the computer software and interfaces to control the experiments, and the ground data processing to provide an operator interface. This document is a follow-on to the Payload Mission description document and the System Requirements document developed during the EE 498 class during the fall semester. The design activities are broken down by functional area within the structure. For each area, we give the requirements that need to be met and the design to meet the requirements. For each of these areas, a prototype selection of hardware and/or software was done by the class and the components assembled as part of the class to verify that they worked as intended.

Horan, Stephen↗
DOE OSTI2016

Advances in Grid Computing for the FabrIc for Frontier Experiments Project at Fermialb

The FabrIc for Frontier Experiments (FIFE) project is a major initiative within the Fermilab Scientic Computing Division charged with leading the computing model for Fermilab experiments. Work within the FIFE project creates close collaboration between experimenters and computing professionals to serve high-energy physics experiments of diering size, scope, and physics area. The FIFE project has worked to develop common tools for job submission, certicate management, software and reference data distribution through CVMFS repositories, robust data transfer, job monitoring, and databases for project tracking. Since the projects inception the experiments under the FIFE umbrella have signicantly matured, and present an increasingly complex list of requirements to service providers. To meet these requirements, the FIFE project has been involved in transitioning the Fermilab General Purpose Grid cluster to support a partitionable slot model, expanding the resources available to experiments via the Open Science Grid, assisting with commissioning dedicated high-throughput computing resources for individual experiments, supporting the eorts of the HEP Cloud projects to provision a variety of back end resources, including public clouds and high performance computers, and developing rapid onboarding procedures for new experiments and collaborations. The larger demands also require enhanced job monitoring tools, which the project has developed using such tools as ElasticSearch and Grafana. in helping experiments manage their large-scale production work ows. This group in turn requires a structured service to facilitate smooth management of experiment requests, which FIFE provides in the form of the Production Operations Management Service (POMS). POMS is designed to track and manage requests from the FIFE experiments to run particular work ows, and support troubleshooting and triage in case of problems. Recently a new certicate management infrastructure called Distributed Computing Access with Federated Identities (DCAFI) has been put in place that has eliminated our dependence on a Fermilab-specic third-party Certicate Authority service and better accommodates FIFE collaborators without a Fermilab Kerberos account. DCAFI integrates the existing InCommon federated identity infrastructure, CILogon Basic CA, and a MyProxy service using a new general purpose open source tool. We will discuss the general FIFE onboarding strategy, progress in expanding FIFE experiments presence on the Open Science Grid, new tools for job monitoring, the POMS service, and the DCAFI project.

Herner, K.↗
DOE OSTI2017

XDesign : An open-source software package for designing X-ray imaging phantoms and experiments

Here, the development of new methods or utilization of current X-ray computed tomography methods is impeded by the substantial amount of expertise required to design an X-ray computed tomography experiment from beginning to end. In an attempt to make material models, data acquisition schemes and reconstruction algorithms more accessible to researchers lacking expertise in some of these areas, a software package is described here which can generate complex simulated phantoms and quantitatively evaluate new or existing data acquisition schemes and image reconstruction algorithms for targeted applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1988

Reduced gravity boiling and condensing experiments simulated with the COBRA/TRAC computer code

A series of reduced-gravity two-phase flow experiments has been conducted with a boiler/condenser apparatus in the NASA KC-135 aircraft in order to obtain basic thermal-hydraulic data applicable to analytical design tools. Several test points from the KC-135 tests were selected for simulation by means of the COBRA/TRAC two-fluid, three-field thermal-hydraulic computer code; the points were chosen for a 25-90 percent void-fraction range. The possible causes for the lack of agreement noted between simulations and experiments are explored, with attention to the physical characteristics of two-phase flow in one-G and near-zero-G conditions.

Cuta, Judith M.↗
DOE OSTI2019

Controlling Nanoparticle Orientations in the Self-Assembly of ‘Patchy’ Quantum Dot-Gold Heterostructural Nanocrystals

Self-assembly of nanocrystals is a promising route for creating macroscale materials that derive function from the properties of their nanoscale building blocks. While much progress has been made assembling nanocrystals into different superlattices, controlling the relative orientations of nanocrystals in those lattices remains a challenge. Here, we combine experiments with computer simulations to study the self-assembly of patchy heterostructural nanocrystals (HNCs), consisting of near-spherical quantum dots decorated with regular arrangements of small gold satellites, into close-packed superlattices with pronounced orientational alignment of HNCs. Our simulations indicate that the orientational alignment is caused by van der Waals interactions between gold patches and is sensitive to the interparticle distance in the superlattice. We demonstrate experimentally that the degree and type of orientational alignment can be controlled by changing ligand populations on HNCs. This study provides guidance for the design and fabrication of nanocrystal superlattices with enhanced structural control.

ZHu, Hua↗
DOE OSTI2022

Low-synch Gram–Schmidt with delayed reorthogonalization for Krylov solvers

The parallel strong-scaling of iterative methods is often determined by the number of global reductions at each iteration. Low-synch Gram-Schmidt algorithms are applied here to the Arnoldi algorithm to reduce the number of global reductions and therefore to improve the parallel strong-scaling of iterative solvers for nonsymmetric matrices such as the GMRES and the Krylov-Schur iterative methods. In the Arnoldi context, the factorization is "left-looking" and processes one column at a time. Among the methods for generating an orthogonal basis for the Arnoldi algorithm, the classical Gram-Schmidt algorithm, with reorthogonalization (CGS2) requires three global reductions per iteration. A new variant of CGS2 that requires only one reduction per iteration is presented and applied to the Arnoldi algorithm. Delayed CGS2 (DCGS2) employs the minimum number of global reductions per iteration (one) for a one-column at-a-time algorithm. The main idea behind the new algorithm is to group global reductions by rearranging the order of operations. DCGS2 must be carefully integrated into an Arnoldi expansion or a GMRES solver. Numerical stability experiments assess robustness for Krylov-Schur eigenvalue computations. Performance experiments on the ORNL Summit supercomputer then establish the superiority of DCGS2 over CGS2.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Extraction of valuable chemicals from food waste via computational solvent screening and experiments

About 1.3 billion tons of global food production end up in landfills and composting, leading to significant anthropogenic greenhouse gas (GHG) emissions. Extracting antioxidant and antimicrobial chemicals (flavonoids, phenolic acids, etc.) from food waste is an economically lucrative valorization strategy but is hindered by efficient solvent selection. Here we perform in silico high throughput screening to identify high solubility solvents for key phenolics and reveal more than 100+ higher-performing solvents than the traditional ethanol and methanol. Solubilities of nine shortlisted solvents are measured and found in reasonable agreement with model predictions. Analysis of the Conductor like Screening Model for Real Solvents (COSMO-RS) σ-profiles and Hansen Solubility Parameters reveals that polarity and hydrogen bonding make dimethylformamide (DMF) an excellent single solvent. We showcase the replacement of high-solubility toxic solvents with green mixtures and demonstrate the approach to potato peel waste. As a result, our work provides a blueprint for solvent selection and generates new insights into extraction from food waste.

09 BIOMASS FUELS↗
DOE OSTI2021

Ultrafast x-ray pump x-ray probe transient absorption spectroscopy: A computational study and proposed experiment probing core-valence electronic correlations in solvated complexes

Femtosecond X-ray pump X-ray probe experiments are currently possible at free electron lasers such as the linac coherent light source (LCLS), which opens new opportunities for studying solvated transition metal-ligand complexes. In order to make the most effective use of these kinds of experiments, it is necessary to determine which chemical properties an X-ray pump pulse will measure. In this paper, we have combined electron cascade calculations and excited-state time-dependent density functional theory calculations to predict the initial state prepared by an X-ray pump and the subsequent X-ray probe spectra at the Fe K-edge in the solvated model transition metal complex, K 4 Fe II (CN) 6 . We find several key spectral features that report on the ligand-field splitting, solvent-solute interactions, and the 3p and 3d electron interactions. We then show how these features could be measured in an experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

On-demand data analytics in HPC environments at leadership computing facilities: Challenges and experiences

Scaling-up scientific data analysis and machine learning algorithms for data-driven discovery is a grand challenge that we face today. Despite the growing need for analysis from science domains that are generating `Big Data' from instruments and simulations, building high-performance analytical workflows of data-intensive algorithms have been daunting because: (i) the `Big Data' hardware and software architecture landscape is constantly evolving, (ii) newer architectures impose new programming models, and (iii) data-parallel kernels of analysis algorithms and their performance facets on different architectures are poorly understood. To address these problems, we have: (i) identified scalable data-parallel kernels of popular data analysis algorithms, (ii) implemented `Mini-Apps' of those kernels using different programming models (e.g. Map Reduce, MPI, etc.), (iii) benchmarked and validated the performance of the kernels in diverse architectures. In this paper, we discuss two of those Mini-Apps and show the execution of principal component analysis built as a workflow of the Mini-Apps. We show that Mini-Apps enable scientists to (i) write domain-specific data analysis code that scales on most HPC hardware and (ii) and offers the ability (most times with over a 10x speed-up) to analyze data sizes 100 times the size of what off-the-shelf desktop/workstations of today can handle.

Harney, John↗
DOE OSTI2017

Pillars of the Mantle: Imaging the Interior of the Earth with Adjoint Tomography. In: PEARC17 Proceedings of the Practice and Experience in Advanced Research Computing 2017 on Sustainability, Success and Impact, Article No. 75

In this work, we investigate global seismic tomographic models obtained by spectral-element simulations of seismic wave propagation and adjoint methods. Global crustal and mantle models are obtained based on an iterative conjugate-gradient type of optimization scheme. Forward and adjoint seismic wave propagation simulations, which result in synthetic seismic data to make measurements and data sensitivity kernels to compute gradient for model updates, respectively, are performed by the SPECFEM3D_GLOBE package [1] [2] at the Oak Ridge Leadership Computing Facility (OLCF) to study the structure of the Earth at unprecedented levels. Using advances in solver techniques that run on the GPUs on Titan at the OLCF, scientists are able to perform large-scale seismic inverse modeling and imaging. Using seismic data from global and regional networks from global CMT earthquakes, scientists are using SPECFEM3D_GLOBE to understand the structure of the mantle layer of the Earth. Visualization of the generated data sets provide an effective way to understand the computed wave perturbations which define the structure of mantle in the Earth.

Pugmire, David↗