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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Globus platform-as-a-service for collaborative science applications

Globus, developed as Software-as-a-Service (SaaS) for research data management, also provides APIs that constitute a flexible and powerful Platform-as-a-Service (PaaS) to which developers can outsource data management activities such as transfer and sharing, as well as identity, profile and group management. By providing these frequently important but always challenging capabilities as a service, accessible over the network, Globus PaaS streamlines web application development and makes it easy for individuals, teams, and institutions to create collaborative applications such as science gateways for science communities. We introduce the capabilities of this platform and review representative applications.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2021

WLCG Token Usage and Discovery

Since 2017, the Worldwide LHC Computing Grid (WLCG) has been working towards enabling token based authentication and authorisation throughout its entire middleware stack. Following the publication of the WLCG Common JSON Web Token (JWT) Schema v1.0 [1] in 2019, middleware developers have been able to enhance their services to consume and validate the JWT-based [2] OAuth2.0 [3] tokens and process the authorization information they convey. Complex scenarios, involving multiple delegation steps and command line flows, are a key challenge to be addressed in order for the system to be fully operational. This paper expands on the anticipated token based workflows, with a particular focus on local storage of tokens and their discovery by services. The authors include a walk-through of this token flow in the RUCIO managed data-transfer scenario, including delegation to FTS and authorised access to storage elements. Next steps are presented, including the current target of submitting production jobs authorised by Tokens within 2021.

Bockelman, Brian↗
DOE OSTI2023

Data transfer for STAR grid jobs

The Solenoidal Tracker at RHIC (STAR) is a multipurpose experiment at the Relativistic Heavy Ion Collider (RHIC) with the primary goal to study the formation and properties of the quark-gluon plasma. STAR is an international collaboration of member institutions and laboratories from around the world. Yearly data-taking period produces PBytes of raw data collected by the experiment. STAR primarily uses its dedicated facility at BNL to process this data, but has routinely leveraged distributed systems, both high throughput (HTC) and high performance (HPC) computing clusters, to significantly augment the processing capacity available to the experiment. The ability to automate the efficient transfer of large data sets on reliable, scalable, and secure infrastructure is critical for any large-scale distributed processing campaign. For more than a decade, STAR computing has relied upon GridFTP with its x509-based authentication to build such data transfer systems and integrate them into its larger production workflow. The end of support by the community for both GridFTP and the x509 standard requires STAR to investigate other approaches to meet its distributed processing needs. In this study we investigate two multi-purpose data distribution systems, Globus.org and XRootD, as alternatives to GridFTP. We compare both their performance and the ease by which each service is integrated into the type of secure and automated data transfer systems STAR has previously built using GridFTP. The presented approach and study may be applicable to other distributed data processing use cases beyond STAR.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Exploiting Spatial Signatures of Power ENF Signal for Measurement Source Authentication

Electric Network Frequency (ENF) signals are the signatures of power systems that are either directly recorded from the power outlets or extracted from multimedia recordings near the electrical activities. Variations of ENF signals collected at different locations possess local environmental characteristics, which can be used as a potential fingerprint for authenticating measurements' source information. Within this paper is proposed a computational intelligence-based framework to recognize the source locations of power ENF signals within a distribution network in the US. To be more specific, a set of informative location-sensitive signatures from ENF measurements are initially extract with such measurements representative of local grid characteristics. Then these distinctive location-dependent signatures are further fed into a data mining algorithm yielding the “source-of-origin” of ENF measurements. Experimental results using ENF data at multiple intra-grid locations have validated the proposed methodology.

CUI, YI↗
DOE OSTI2020

Converting from NIS to Redhat Identity Management

The Jefferson Lab (Jlab) accelerator controls network has transitioned to a new authentication and network service interface. The new system uses the Redhat Identity Manager (IdM) as a single integrating front end to the Lightweight Directory Access Protocol (LDAP) and a replacement for NIS and the Kerberos authentication service. This system allows for integration of access and authentication across Unix and Windows environments and across different Jlab computing environments, including across firewalls. The decision making process, conversion steps, issues and solutions will be discussed.

McGuckin, T. S.↗
DOE OSTI2018

Intelligent sensor and controller framework for the power grid

Disclosed below are representative embodiments of methods, apparatus, and systems for monitoring and using data in an electric power grid. For example, one disclosed embodiment comprises a sensor for measuring an electrical characteristic of a power line, electrical generator, or electrical device; a network interface; a processor; and one or more computer-readable storage media storing computer-executable instructions. In this embodiment, the computer-executable instructions include instructions for implementing an authorization and authentication module for validating a software agent received at the network interface; instructions for implementing one or more agent execution environments for executing agent code that is included with the software agent and that causes data from the sensor to be collected; and instructions for implementing an agent packaging and instantiation module for storing the collected data in a data container of the software agent and for transmitting the software agent, along with the stored data, to a next destination.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2019

Intelligent sensor and controller framework for the power grid

Disclosed below are representative embodiments of methods, apparatus, and systems for monitoring and using data in an electric power grid. For example, one disclosed embodiment comprises a sensor for measuring an electrical characteristic of a power line, electrical generator, or electrical device; a network interface; a processor; and one or more computer-readable storage media storing computer-executable instructions. In this embodiment, the computer-executable instructions include instructions for implementing an authorization and authentication module for validating a software agent received at the network interface; instructions for implementing one or more agent execution environments for executing agent code that is included with the software agent and that causes data from the sensor to be collected; and instructions for implementing an agent packaging and instantiation module for storing the collected data in a data container of the software agent and for transmitting the software agent, along with the stored data, to a next destination.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

Future of Work with Robotics - 18599

The DOE Environmental Management mission continues with remaining tasks that are high-hazards to human workers and high-consequences to the nation, resulting in potentially high risks to project costs and schedules. This is the mission pull. At the same time, robotic technologies are hitting a turning point with increased productivity and reliability within society, supporting a technology push. Enabling this push are better computer processing following Moore's Law, breakthroughs in biometric and learning algorithms,and riding a wave of venture funding for intended commercialization of mechatronic and Internet of Thing (IOT) projects. There has been overall improvements in material technologies, algorithms, and software standardization with tools/libraries such as the Robot Operating System (ROS). The internet has made knowledge ubiquitous and the cell phone sector has pushed the boundaries of systems-on-chip technology. This current growth is a race between large global technology companies, and between countries that understand that there is a prize with increased commerce based on being a leader in the field of robotics and automation. This technological advances have placed this technology solidly within the next 4. Industrial Revolution being tracked by the World Economic Council. Policies and law can slow this progression down, but technological changes in adjacent fields will put additional pressure on human workers by being more economical and in saving lives. A fundamental issue is will this change be gradual or disruptive such as with the forecasted singularity. There is also a realization with automation that the transition of human workers to other fields may be temporary, but in the long run, workers may run out of viable work and long-term occupations. The obvious future of human jobs are most assured by those who can embrace the change through the design, development, installment, and maintenance of the technology. Younger workers can be re-educated while older humans can be re-trained. The goal of this paper is to explore all the forces that are enabling this revolution, investigating its many impacts, and speculating on the future of human jobs during nuclear remediation. Automation has made an impact to the manufacturing sector, and has since expanded to the retail and services sectors. The question is will this same automation transition, including robotics and artificial intelligence, occur to the environmental management and cleanup sector, and how should we prepare ourselves for this change. (author)

42 ENGINEERING↗
DOE OSTI2024

WLCG Transition from X.509 to Tokens. Status, Plans, and Timeline

Since 2017, the Worldwide LHC Computing Grid (WLCG) has been working towards enabling token-based authentication and authorization throughout its entire middleware stack. Following the initial publication of the WLCG Token Schema v1.0 in 2019, OAuth2.0 token workflows have been integrated across grid middleware. There are many complex challenges to be addressed before the WLCG can be end-to-end token-based, including not just technical hurdles but also interoperability with the wider authentication and authorization landscape. This paper presents the status of the WLCG coordination and deployment work, and how it relates to software providers and partner communities. The authors also detail how the WLCG token transition timeline has progressed, and how it has changed since its publication.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Quantum Chemistry Calculations for Metabolomics

A primary goal of metabolomics and exposomics studies is to fully characterize the small molecule composition of complex biological and environmental samples. However, despite advances in analytical technologies over the past two decades, the majority of small molecules in complex samples are not readily identifiable due to the immense structural and chemical diversi-ty present within the metabolome and exposome. Current gold-standard identification methods rely on reference libraries built using authentic chemical materials (“standards”), which are not available for most molecules. Computational quantum chemis-try methods, which can be used to calculate chemical properties that are then measured by analytical platforms, offer an alter-native route for building reference libraries, i.e., in silico libraries for “standards-free” identification. In this review, we cover the major roadblocks currently facing metabolomics and discuss applications where quantum chemistry calculations offer a solu-tion. Several successful examples for nuclear magnetic resonance spectroscopy, ion mobility spectrometry, infrared spectros-copy, and mass spectrometry methods are reviewed. Finally, we consider current best practices, sources of error, and provide an outlook for quantum chemistry calculations in metabolomics and exposomics studies. We expect this review will inspire researchers in the field of small molecule identification to accelerate adoption of in silico methods for generation of reference libraries and to add quantum chemistry calculations as another tool at their disposal to characterize complex samples.

Metabolism↗
DOE OSTI2025

WLCG transition from X.509 to Tokens: Progress and Outlook

Since 2017, the Worldwide LHC Computing Grid (WLCG) has been working towards enabling token-based authentication and authorization throughout its entire middleware stack.Taking guidance from the WLCG Token Transition Timeline, published in 2022, substantial progress has been achieved not only in making middleware compatible with the use of tokens, but also in understanding the limitations of the WLCG Common JWT Profiles, first published in 2019. Significant scalability experience has been gained from Data Challenge 2024, during which millions of files were transferred with tokens used as credentials - a significant percentage of the total transfers completed.Besides describing the state of affairs in the transition to tokens, revisions to the WLCG token profile, and the evolving road maps, this contribution also covers the corresponding transition from VOMS-Admin to INDIGO-IAM services, with continuing improvements in terms of functionality as well as deployment.

Dack, Thomas [Rutherford Appleton Laboratory]↗
DOE OSTI2019

Spatio-Temporal Characterization of Synchrophasor Data Against Spoofing Attacks in Smart Grids

“Source ID Mix” has emerged as a new type of highly deceiving attack which can alter the source information of synchrophasor data measured by multiple phasor measurement units, thereby paralyzing many wide-area measurement systems applications. To address such sophisticated cyber attacks, we have exploited the spatio-temporal characteristics of synchrophasor data for authenticating measurements’ source information. Specifically, the source authentication is performed when the measurements are subjected to three types of spoofing attacks. Some practical difficulties in applying the proposed method on real-time authentication caused by insufficient measurement data have also been solved. Experimental results with real synchrophasor measurements have validated the effectiveness of the proposed method in detecting such complicated data spoofing and improving power systems’ cyber security.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2017

Information barrier experimental: Toward a trusted and open-source computing platform for nuclear warhead verification

Trusted measurement systems are critical for the verification of future arms-control treaties that involve confirming the authenticity of nuclear warheads on the basis of their radiation signatures. Several research efforts have produced prototype systems, but their designs are typically not published in detail, making it difficult to enable trust in these devices. The Information Barrier Experimental (IBX) is a new prototype built around the Red Pitaya computing platform using passive gamma spectroscopy. It is the first such platform designed to help a broad research community study vulnerabilities and define the required specifications for a common, trusted inspection system. It is low-cost, simple to assemble, and enables comprehensive hardware and software authentication studies. The device follows a digital data acquisition approach, which significantly reduces the number of components between scintillator and spectrum output. Finally, measurements demonstrate that this approach is technically feasible and produces excellent measurement results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Deployment and Evaluation of SciStream on OLCF's Advanced Computing Ecosystem (ACE)

The growing demand for real-time analysis, experimental steering, and decision-making in scientific workflows has created a need for tightly coupled integrations between experimental facilities and high-performance computing (HPC) systems. The Department of Energy’s Integrated Research Infrastructure (IRI) initiative highlights data streaming as a key capability for enabling memory-to-memory data transfers, bypassing the limitations of traditional store-and-forward models. SciStream is a toolkit developed by researchers at Argonne National Laboratory (ANL) to support such streaming by addressing cross-domain security, delegated authentication, and application transparency. We deployed and evaluated SciStream on the Oak Ridge Leadership Computing Facility’s (OLCF) Advanced Computing Ecosystem (ACE) infrastructure, leveraging the Olivine OpenShift cluster and its high-bandwidth Data Streaming Nodes (DSNs) as gateway nodes. Our evaluation included synthetic streaming workloads derived from IRI science workflows, a streaming simulator, and integration with RabbitMQ to handle low-level messaging. This report documents the deployment process, performance evaluation, and challenges encountered, along with opportunities for future improvements.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

rvGAHP: push-based job submission using reverse SSH connections. In: WORKS '17 Proceedings of the 12th Workshop on Workflows in Support of Large-Scale Science, Article No. 3

Computational science researchers running large-scale scientific workflow applications often want to run their workflows on the largest available compute systems to improve time to solution. Workflow tools used in distributed, heterogeneous, high performance computing environments typically rely on either a push-based or a pull-based approach for resource provisioning from these compute systems. However, many large clusters have moved to two-factor authentication for job submission, making traditional automated push-based job submission impossible. On the other hand, pull-based approaches such as pilot jobs may lead to increased complexity and a reduction in node-hour efficiency. In this paper, we describe a new, efficient approach based on HTCondor-G called reverse GAHP (rvGAHP) that allows us to push jobs using reverse SSH submissions with better efficiency than pull-based methods. We successfully used this approach to perform a large probabilistic seismic hazard analysis study using SCEC's CyberShake workflow in March 2017 on the Titan Cray XK7 hybrid system at Oak Ridge National Laboratory.

Callaghan, Scott↗
DOE OSTI2022

An initial investigation of accuracy required for the identification of small molecules in complex samples using quantum chemical calculated NMR chemical shifts

The majority of primary and secondary metabolites in nature have yet to be identified, representing a major challenge for metabolomics studies that currently require reference libraries from analyses of authentic compounds. Using currently available analytical methods, complete chemical characterization of metabolomes is infeasible for both technical and economic reasons. For example, unambiguous identification of metabolites is limited by the availability of authentic chemical standards, which, for the majority of molecules, do not exist. Computationally predicted or calculated data are a viable solution to expand the currently limited metabolite reference libraries, if such methods are shown to be sufficiently accurate. For example, determining nuclear magnetic resonance (NMR) spectroscopy spectra in silico has shown promise in the identification and delineation of metabolite structures. Many researchers have been taking advantage of density functional theory (DFT), a computationally inexpensive yet reputable method for the prediction of carbon and proton NMR spectra of metabolites. However, such methods are expected to have some error in predicted 13 >C and 1 H NMR spectra with respect to experimentally measured values. This leads us to the question–what accuracy is required in predicted 13 C and 1 H NMR chemical shifts for confident metabolite identification? Using the set of 11,716 small molecules found in the Human Metabolome Database (HMDB), we simulated both experimental and theoretical NMR chemical shift databases. We investigated the level of accuracy required for identification of metabolites in simulated pure and impure samples by matching predicted chemical shifts to experimental data. We found 90% or more of molecules in simulated pure samples can be successfully identified when errors of 1 H and 13 C chemical shifts in water are below 0.6 and 7.1 ppm, respectively, and below 0.5 and 4.6 ppm in chloroform solvation, respectively. In simulated complex mixtures, as the complexity of the mixture increased, greater accuracy of the calculated chemical shifts was required, as expected. However, if the number of molecules in the mixture is known, e.g., when NMR is combined with MS and sample complexity is low, the likelihood of confident molecular identification increased by 90%.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Evaluating Named Data Networking for Industrial Control System [Slides]

Current proposed work is: See if the inherent security that comes with Named Networking (NDN) can be applied to Industrial Control Systems; and, Every packet is required to be cryptographically signed which makes every single piece of data communicated in the system secure and authenticated.

42 ENGINEERING↗