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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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DOE OSTI2022

Virtual Infrastructure Twins: Software Testing Platforms for Computing-Instrument Ecosystems

Science ecosystems are being built by federating computing systems and instruments located at geographically distributed sites over wide-area networks. These computing-instrument ecosystems are expected to support complex workflows that incorporate remote, automated AI-driven science experiments. Their realization, however, requires various designs to be explored and software components to be developed, in order to support the orchestration of distributed computations and experiments. It is often too expensive, infeasible, or disruptive for the entire ecosystem to be available during the typically long software development and testing periods. We propose a Virtual Infrastructure Twin (VIT) of the ecosystem that emulates its network and computing components, and incorporates its instrument software simulators. It provides a software environment nearly identical to the ecosystem to support early development and testing, and design space exploration. We present a brief overview of previous digital infrastructure twins that culminated in the VIT concept, including (i) the virtual science network environment for developing software-defined networking solutions, and (ii) the virtual federated science instrument environment for testing the federation software stack and remote instrument control software. We briefly describe VITs for Nion microscope steering and access to GPU systems.

Rao, Nageswara↗

DOE OSTI2023

Virtual Infrastructure Twins: Software Testing Platforms for Computing-Instrument Ecosystems

Rao, Nageswara↗

DOE OSTI2023

Cyber Framework for Steering and Measurements Collection Over Instrument-Computing Ecosystems

We propose a framework to develop cyber solutions to support the remote steering of science instruments and measurements collection over instrument-computing ecosystems. It is based on provisioning separate data and control connections at the network level, and developing software modules consisting of Python wrappers for instrument commands and Pyro server-client codes that make them available across the ecosystem network. We demonstrate automated measurement transfers and remote steering operations in a microscopy use case for materials research over an ecosystem of Nion microscopes and computing platforms connected over site networks. The proposed framework is currently under further refinement and being adopted to science workflows with automated remote experiments steering for autonomous chemistry laboratories and smart energy grid simulations.

Al Najjar, Anees↗

DOE OSTI2023

Virtual Infrastructure Twin for Computing-Instrument Ecosystems: Software and Measurements

Not Available

47 OTHER INSTRUMENTATION↗

DOE OSTI2023

Cross-Facility Orchestration of Electrochemistry Experiments and Computations

Instrument-computing ecosystems supporting automated electrochemical workflows typically require the integration of disparate instruments such as syringe pump, fraction collector, and potentiostat, all connected to an electrochemical cell. These specialized instruments with custom software and interfaces are not typically designed for network integration and remote automation. We developed a networked ecosystem of these instruments and computing platforms, which includes software to enable automated workflow orchestration from remote computers. Specifically, we developed Python wrappers of APIs and custom Pyro client-server modules to support remote operation of these instruments over the ecosystem network. Herein, we describe a specific workflow for generating and validating voltammogram (I-V) measurements of an electrolyte solution pumped into the electrochemical cell. We demonstrate the orchestration of this workflow which is composed using a Jupyter notebook and executed on a remote computer.

Al Najjar, Anees↗

DOE OSTI2018

DMS Instrument Directory Scanner

This program examines the source folder on instrument computers to find files and folders. It creates a tab-delimited text file for each instrument, listing the names of the files and folders found. The text files for the instruments are stored in a central location, and are made made visible via the DMS website to allow instrument operators to see the instrument data files on the instrument computer.

Monroe, Matthew↗

DOE OSTI2022

An automated fast neutron computed tomography instrument with on-line focusing for non-destructive evaluation

A fast neutron tomography imaging instrument has been designed, built, and tested at The Ohio State University 500 kW Research Reactor on a fast neutron beamline with a peak neutron flux ≈5.4 × 107 n·cm−2·s−1 at 1.6 MeV median neutron energy. The instrument and beamline are also configurable for thermal neutron imaging. The imaging apparatus is composed of a lens coupled, water-cooled Electron Multiplying Charge Coupled Device camera, a front-surface mirror, and a high light yield plastic Polyvinyl toluene scintillator. The instrument sits on a mobile cart. A total of 5 motion-control stages are built into the system for XYZ and rotational degrees of freedom for sample positioning; the fifth stage fine tunes the focal distance between the camera and the scintillator to achieve on-line focusing. A Python code with a user-friendly graphical user interface controls the fully automated image acquisition, not requiring user interaction, yet facilitating tracking of the image acquisition. A complete fast neutron computed tomography dataset with 360 projections requires less than 3 h, with 30 s per projection. On-line focusing is accomplished with a commercial, off-the-shelf, dielectrically actuated liquid lens. Finally, tomographic reconstructions are visualized using the Livermore Tomography Tools software package. The effective pixel size (width and height) is ≈0.1058 mm, yielding a minimum voxel size of 0.1058 × 0.1058 × 0.1058 mm3, and produces a spatial resolution of 231 μm when calculated from knife-edge measurements.

Bisbee, M. G. (ORCID:0000000313466697)↗

DOE OSTI2018

V IV O and V IV Species Formed in Aqueous Solution by the Tridentate Glutaroimide–Dioxime Ligand – An Instrumental and Computational Characterization

Complexation of V IV in aqueous solution with glutaroimide–dioxime (H 3 L), a ligand proposed for the possible sequestration of uranium from seawater, was studied by the combined application of spectroscopic (EPR and UV/Vis), spectrometric (ESI‐MS), electrochemical (CV), and computational (DFT) techniques. The results indicate that a rare non‐oxido V IV species, with formula [V IV L 2 ] 2– , is formed in the pH range 3–5. It transforms into a usual V IV O complex, [V IV OL(OH)] 2– , at pH > 6. The non‐oxido species is characterized by a “ type 3 ” EPR spectrum with A z ≈ 126 × 10 –4 cm –1 and a UV/Vis signal with ε > 2000 m –1 cm –1 in the visible region. The detection of V V species by ESI‐MS spectrometry was related to two possible oxidation processes, the first one in solution and the second one in‐source during the recording of the spectra. The cyclic voltammogram of [V IV L 2 ] 2– shows two quasi‐reversible processes, at E 1/2 = –0.75 V and E 1/2 = 0.03 V, assigned to the V IV /V III reduction and V IV /V V oxidation, respectively. All the experimental results were verified by DFT calculations, which indicated that the geometry of the non‐oxido V IV complex is intermediate between an octahedron and a trigonal prism and allowed us to predict its 51 V hyperfine coupling (HFC) tensor A , the electron absorption spectrum, the two redox processes in the cyclic voltammogram, and the electronic structure that, in turn, determines its EPR and UV/Vis behavior.

Sanna, Daniele↗

DOE OSTI2013

Marine and Hydrokinetic Technology (MHK) Instrumentation, Measurement, and Computer Modeling Workshop

The Marine and Hydrokinetic Technology (MHK) Instrumentation, Measurement, and Computer Modeling Workshop was hosted by the National Renewable Energy Laboratory (NREL) in Broomfield, Colorado, July 9–10, 2012. The workshop brought together over 60 experts in marine energy technologies to disseminate technical information to the marine energy community, and to collect information to help identify ways in which the development of a commercially viable marine energy industry can be accelerated. The workshop was comprised of plenary sessions that reviewed the state of the marine energy industry and technical sessions that covered specific topics of relevance. Each session consisted of presentations, followed by facilitated discussions. During the facilitated discussions, the session chairs posed several prepared questions to the presenters and audience to encourage communication and the exchange of ideas between technical experts. Following the workshop, attendees were asked to provide written feedback on their takeaways from the workshop and their best ideas on how to accelerate the pace of marine energy technology development. The first four sections of this document give a general overview of the workshop format, provide presentation abstracts, supply discussion session notes, and list responses to the post-workshop questions. The final section presents key findings and conclusions from the workshop that suggest what the most pressing MHK technology needs are and how the U.S. Department of Energy (DOE) and national laboratory resources can be utilized to assist the marine energy industry in the most effective manner.

16 TIDAL AND WAVE POWER↗

DOE OSTI2013

Marine and Hydrokinetic Technology (MHK) Instrumentation, Measurement, and Computer Modeling Workshop

The Marine and Hydrokinetic Technology (MHK) Instrumentation, Measurement, and Computer Modeling Workshop was hosted by the National Renewable Energy Laboratory (NREL) in Broomfield, Colorado, July 9-10, 2012. The workshop brought together over 60 experts in marine energy technologies to disseminate technical information to the marine energy community and collect information to help identify ways in which the development of a commercially viable marine energy industry can be accelerated. The workshop was comprised of plenary sessions that reviewed the state of the marine energy industry and technical sessions that covered specific topics of relevance. Each session consisted of presentations, followed by facilitated discussions. During the facilitated discussions, the session chairs posed several prepared questions to the presenters and audience to encourage communication and the exchange of ideas between technical experts. Following the workshop, attendees were asked to provide written feedback on their takeaways and their best ideas on how to accelerate the pace of marine energy technology development. The first four sections of this document give a general overview of the workshop format, provide presentation abstracts and discussion session notes, and list responses to the post-workshop questions. The final section presents key findings and conclusions from the workshop that suggest how the U.S. Department of Energy and national laboratory resources can be utilized to most effectively assist the marine energy industry.

16 TIDAL AND WAVE POWER↗

DOE OSTI2023

Normality of I-V Measurements Using ML

There is an increased interest in instrument-computing ecosystems (ICEs) that support science workflows empowered by AI-automated experiments and computations in diverse areas. In particular, electrochemistry ICEs are promising for accelerating the design and discovery of electrochemical systems for energy storage and conversion, by automating significant parts of workflows that combine synthesis and characterization experiments with computations. They require the integration of flow controllers, solvent containers, pumps, fraction collectors, and potentiostats, all connected to an electrochemical cell, as illustrated in Fig. 1. These are specialized instruments with custom software that is not originally designed for network integration. We developed network and software solutions for electrochemical workflows that adapt system and instrument settings in real-time for multiple rounds of experiments. In particular, we developed Python wrappers for Application Programming Interfaces (APIs) of instrument commands and Pyro client-server modules that enable them to be executed from remote computers. The entire workflow is orchestrated by a Jupyter notebook running on a remote computer.

Al Najjar, Anees↗

DOE OSTI2020

Methods and Experiences for Developing Abstractions for Data-intensive, Scientific Applications

Developing software for scientific applications that require the integration of diverse types of computing, instruments, and data present challenges that are distinct from commercial software. These applications require scale, and the need to integrate various programming and computational models with evolving and heterogeneous infrastructure. Pervasive and effective abstractions for distributed infrastructures are thus critical; however, the process of developing abstractions for scientific applications and infrastructures is not well understood. While theory-based approaches for system development are suited for well-defined, closed environments, they have severe limitations for designing abstractions for scientific systems and applications. The design science research (DSR) method provides the basis for designing practical systems that can handle real-world complexities at all levels. In contrast to theory-centric approaches, DSR emphasizes both practical relevance and knowledge creation by building and rigorously evaluating all artifacts. In this work, we show how DSR provides a well-defined framework for developing abstractions and middleware systems for distributed systems. Specifically, we address the critical problem of distributed resource management on heterogeneous infrastructure over a dynamic range of scales, a challenge that currently limits many scientific applications. We use the pilot-abstraction, a widely used resource management abstraction for high-performance, high throughput, big data, and streaming applications, as a case study for evaluating the DSR activities. For this purpose, we analyze the research process and artifacts produced during the design and evaluation of the pilot-abstraction. We find DSR provides a concise framework for iteratively designing and evaluating systems. Finally, we capture our experiences and formulate different lessons learned.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Software-defined network for end-to-end networked science at the exascale

Domain science applications and workflow processes are currently forced to view the network as an opaque infrastructure into which they inject data and hope that it emerges at the destination with an acceptable Quality of Experience. There is little ability for applications to interact with the network to exchange information, negotiate performance parameters, discover expected performance metrics, or receive status/troubleshooting information in real time. The work presented here is motivated by a vision for a new smart network and smart application ecosystem that will provide a more deterministic and interactive environment for domain science workflows. The Software-Defined Network for End-to-end Networked Science at Exascale (SENSE) system includes a model-based architecture, implementation, and deployment which enables automated end- to-end network service instantiation across administrative domains. An intent based interface allows applications to express their high-level service requirements, an intelligent orchestrator and resource control systems allow for custom tailoring of scalability and real-time responsiveness based on individual application and infrastructure operator requirements. This allows the science applications to manage the network as a first-class schedulable resource as is the current practice for instruments, compute, and storage systems. Deployment and experiments on production networks and testbeds have validated SENSE functions and performance. Emulation based testing verified the scalability needed to support research and education infrastructures. Key contributions of this work include an architecture definition, reference implementation, and deployment. This provides the basis for further innovation of smart network services to accelerate scientific discovery in the era of big data, cloud computing, machine learning and artificial intelligence.

47 OTHER INSTRUMENTATION↗

DOE OSTI2019

Refining instrument response functions with 3-D Monte Carlo simulations of differential hard x-ray spectrometers

Three x-ray spectrometers – the hard x-ray detector (HXRD), the bremsstrahlung MeV x-ray spectrometer (BMXS), and the hard x-ray image plate (HXIP) – areused here to estimate hot-electron bremsstrahlung spectrum parameters for inertial confinement fusion experiments on OMEGA. Using 1-D deterministically calculated response functions, they show significantly different estimates of spectrum slope temperature. For all three detectors, 3-D Geant4 Monte Carlo simulations are developed and used to compute instrument response functions. Simulations explain features in raw image-plate data, but only significantly improve systematic errors in predicted detector channel signals for BMXS and do not entirely eliminate the discrepancy between estimates of slope temperature.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2013

The Mind Research Network - Mental Illness Neuroscience Discovery Grant

The scientific and technological programs of the Mind Research Network (MRN), reflect DOE missions in basic science and associated instrumentation, computational modeling, and experimental techniques. MRN's technical goals over the course of this project have been to develop and apply integrated, multi-modality functional imaging techniques derived from a decade of DOE-support research and technology development.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2014

New Software Architecture Options for the TCL Data Acquisition System

The Turbulent Combustion Laboratory (TCL) conducts research on combustion in turbulent flow environments. To conduct this research, the TCL utilizes several pulse lasers, a traversable wind tunnel, flow controllers, scientific grade CCD cameras, and numerous other components. Responsible for managing these different data-acquiring instruments and data processing components is the Data Acquisition (DAQ) software. However, the current system is constrained to running through VXI hardware—an instrument-computer interface—that is several years old, requiring the use of an outdated version of the visual programming language, LabVIEW. A new Acquisition System is being programmed which will borrow heavily from either a programming model known as the Current Value Table (CVT) System or another model known as the Server-Client System. The CVT System model is in essence, a giant spread sheet from which data or commands may be retrieved or written to, and the Server-Client System is based on network connections between a server and a client, very much like the Server-Client model of the Internet. Currently, the bare elements of a CVT DAQ Software have been implemented, consisting of client programs in addition to a server program that the CVT will run on. This system is being rigorously tested to evaluate the merits of pursuing the CVT System model and to uncover any potential flaws which may result in further implementation. If the CVT System is chosen, which is likely, then future work will consist of build up the system until enough client programs have been created to run the individual components of the lab. The advantages of such a System will be flexibility, portability, and polymorphism. Additionally, the new DAQ software will allow the Lab to replace the VXI with a newer instrument interface—the PXI—and take advantage of the capabilities of current and future versions of LabVIEW.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

High Elevation Radiation Array (HERA) detectors for airborne thunderstorm investigations

A high-energy atmospheric physics phenomenon, referred to as a terrestrial gamma ray flash (TGF), is associated with lightning and produces large bursts of energetic photon radiation. TGFs will be investigated using a suite of gamma-ray instruments designed and constructed to fly on ten United States Air Force (USAF) WC-130J Hurricane Hunter aircraft as part of an aircrew ionization study led by the Air Force Institute of Technology (AFIT) and the United States Air Force School of Aerospace Medicine (USAFSAM), in cooperation with the 53rd Weather Reconnaissance Squadron (WRS). Each instrument consists of one NaI and one plastic detector, a GPS timing device, and an instrument computer that performs data acquisition. High Elevation Radiation Array (HERA) detectors will be employed to maximize the chances of observing TGFs near their source and to gain a better understanding of their origin, mechanism, ubiquity, and to assess potential hazards posed to military and commercial aircrew and passengers. The HERA program, deployed on 10 separate Air Force aircraft over a multi-year campaign, will result in thousands of observational flight hours and be the largest concerted effort to date to observe TGFs in situ through aircraft observations. In this paper, we give an overview of the scientific goals of this campaign and how the HERA instruments have been designed to meet those goals. Here, we include a detailed description of the HERA instrument, along with mass model and signal processing simulations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2016

Report on the Second ARM Mobile Facility (AMF2) Stabilization Platform: Control Strategy and Implementation

One of the primary objectives of the U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) Climate Research Facility’s second Mobile Facility (AMF2) is to obtain reliable measurements from ocean-going vessels. A pillar of the AMF2 strategy in this effort is the use of a stable platform for those instruments that 1) need to look directly at, or be shaded from, direct sunlight or 2) require a truly vertical orientation. Some ARM instruments that fall into these categories include the Multi-Filter Rotating Shadow Band Radiometer (MFRSR) and the Total Sky Imager (TSI), both of which have a shadow band mechanism, upward-looking radiometry that should be exposed only to the sky, a Microwave Radiometer (MWR) that looks vertically and at specified tilt angles, and vertically pointing radars, for which the vertical component of motion is critically important. During the design and construction phase of AMF2, an inexpensive stable platform was purchased to perform the stabilization tasks for some of these instruments. Computer programs were developed to communicate with the platform controller and with an inertial measurements platform that measures true ship motion components (roll, pitch, yaw, surge, sway, and heave). The platform was then tested on a 3-day cruise aboard the RV Connecticut during June 16-18, 2010, off the east coast of the United States. This initial test period was followed by continued development of the platform control strategy and implementation as time permitted. This is a report of the results of these efforts and the critical points in moving forward.

54 ENVIRONMENTAL SCIENCES↗