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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Combined Force-Frequency Sampling for Simulation of Systems Having Rugged Free Energy Landscapes.

An adaptive, machine learning-based sampling method is presented for simulation of systems having rugged, multidimensional free energy landscapes. The method's main strength resides in its ability to learn both from the frequency of visits to distinct states and the generalized force estimates that arise in a system as it evolves in phase space. This is accomplished by introducing a self-integrating artificial neural network, which generates an estimate of the free energy directly from its derivatives. The usefulness of the proposed combined approach is examined in the context of two concrete examples, namely, an alanine dipeptide molecule in water and a polymer diffusing through a narrow pore. This new method is found to be robust, faster, and more accurate than approaches that rely only on frequency-based or generalized force-based estimations. After combining the proposed approach with overfill protection and support for sparse data storage and training, the method is shown to be more effective than comparable, previously available techniques and capable of scaling efficiently to larger numbers of collective variables.

Sevgen, Emre↗
DOE OSTI2025

ScaWL: Scaling k-WL (Weisfeiler-Lehman) Algorithms in Memory and Performance on Shared and Distributed-Memory Systems

The k-dimensional Weisfeiler-Lehman (k-WL) algorithm—developed as an efficient heuristic for testing if two graphs are isomorphic—is a fundamental kernel for node embedding in the emerging field of graph neural networks. Unfortunately, the k-WL algorithm has exponential storage requirements, limiting the size of graphs that can be handled. This work presents a novel k-WL scheme with a storage requirement orders of magnitude lower while maintaining the same accuracy as the original k-WL algorithm. Due to the reduced storage requirement, our scheme allows for processing much bigger graphs than previously possible on a single compute node. For even bigger graphs, we provide the first distributed-memory implementation. Our k-WL scheme also has significantly reduced communication volume and offers high scalability. Our experimental results demonstrate that our approach is significantly faster and has superior scalability compared to five other implementations employing state-of-the-art techniques.

algorithims↗
NASA NTRS2003

Signal-Conditioning Amplifier Recorders

Signal-conditioning amplifier recorders (SCAmpRs) have been proposed as a means of simplifying and upgrading the Kennedy Space Center (KSC) Ground Measurement System (GMS), which is a versatile data-acquisition system that gathers and records a variety of measurement data before and during the launch of a space shuttle. In the present version of the GMS system, signal conditioning amplifiers digitize and transmit data to a VME chassis that multiplexes up to 416 channels. The data is transmitted via a high-speed data bus to a second VME chassis where it is available for snapshots. The data is passed from the second VME chassis to a high-speed data recorder. This process is duplicated for installations at two launch pads and the Vehicle Assembly Building (VAB). Since any failure of equipment in the data path results in loss of data, much of the system is redundant. The architecture of the existing GMS limits expansion or any modification to the system to meet changing requirements because of the cost and time required. A SCAmpR-based system is much more flexible. The basis of the simplification, flexibility, and reliability is the shifting of the recording function to the individual amplifier channels. Each SCAmpR is a self-contained single channel data acquisition system, which in its current implementation, has a data storage capacity of up to 30 minutes when operating at the fastest data sampling rates. The SCAmpR channels are self-configuring and self-calibrating. Multiple SCAmpR channels are ganged on printed circuit boards and mounted in a chassis that provides power, a network hub, and Inter-Range Instrument Group (IRIG) time signals. The SCAmpR channels share nothing except physical mounting on a circuit board. All circuitry is electrically separate for each channel. All that is necessary to complete the data acquisition system is a single master computer tied to the SCAmpR channels by standard network equipment. The size of the data acquisition system dictates the requirements for the specific network equipment.

Medelius, Pedro J.↗
DOE OSTI2022

Frontier (HPE Cray EX) Exascale Supercomputer at the Oak Ridge Leadership Computing Facility

Frontier is the HPE Cray EX exascale supercomputer deployed and operated by the Oak Ridge Leadership Computing Facility (OLCF) at Oak Ridge National Laboratory (ORNL). Frontier is designed for large-scale modeling, simulation, and AI workloads and is built from HPE Cray EX system architecture with AMD CPUs and AMD Instinct GPU accelerators connected by the HPE Slingshot interconnect. System composition (representative production configuration): Frontier is composed of approximately 74 cabinets with 128 compute nodes per cabinet (~9,400 compute nodes total). Each compute node contains one 64-core AMD EPYC CPU and four AMD Instinct MI250X GPUs. Nodes are connected using HPE Slingshot (Slingshot-200 class) networking with multiple NIC ports per node providing high injection bandwidth. Frontier is connected to the Orion parallel file system (multi-tier Lustre) providing a large, center-wide high-performance storage namespace. Operational context: Frontier entered public prominence as the first system to reach No. 1 on the TOP500 list in May 2022 (HPL benchmark), establishing the first widely recognized exascale-era performance milestone. The system supports DOE Office of Science mission workloads and enables leadership-class computational science and AI for open science users.

AMD EPYC↗
DOE OSTI2025

Data Structure Alchemy

In an increasingly more data-driven world, the project set out to uncover the first principles of data-structure design, chart the immense design space they form, and build automation that can synthesize an optimal structure, or even a whole storage engine, for any given workload, hardware platform, and cost target. Data structures are at the center of every computational system and are directly responsible for its performance. Two core technical thrusts were defined: 1) Mapping design spaces for key data-centric abstractions (filters, hash functions, storage-engine layouts, neural-network topologies, blockchain protocols, image layouts, etc.). 2) Developing search & synthesis algorithms, initially analytical cost models, later neural-guided bi-level optimisers that navigate sextillions of candidate designs in seconds and materialise the best one as ready‐to-run code. This report distills the key insights, accomplishments, and impact.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Resilience of the Electric Grid Through Trustable IoT-Coordinated Assets

The electricity grid has evolved from a physical system to a cyberphysical system with digital devices that perform measurement, control, communication, computation, and actuation. The increased penetration of distributed energy resources (DERs) including renewable generation, flexible loads, and storage provides extraordinary opportunities for improvements in efficiency and sustainability. However, they can introduce new vulnerabilities in the form of cyberattacks, which can cause significant challenges in ensuring grid resilience. We propose a framework in this paper for achieving grid resilience through suitably coordinated assets including a network of Internet of Things devices. A local electricity market is proposed to identify trustable assets and carry out this coordination. Situational Awareness (SA) of locally available DERs with the ability to inject power or reduce consumption is enabled by the market, together with a monitoring procedure for their trustability and commitment. With this SA, we show that a variety of cyberattacks can be mitigated using local trustable resources without stressing the bulk grid. Multiple demonstrations are carried out using a high-fidelity cosimulation platform, real-time hardware-in-the-loop validation, and a utility-friendly simulator.

distributed energy resources↗
DOE OSTI2019

SimCCS: An open-source tool for optimizing CO 2 capture, transport, and storage infrastructure

Commercial-scale carbon capture and storage (CCS) technology will involve deploying infrastructure on a massive and costly scale. This effort will require careful and comprehensive planning to ensure that capture locations, storage sites, and the dedicated CO 2 distribution pipelines are selected in a robust and cost-effective manner. Presented in 2009, SimCCS is an optimization model for integrated system design that enables researchers, stakeholders, and policy makers to design CCS infrastructure networks. SimCCS 2.0 is a complete, ground-up redesign that is now a portable software package, useable and shareable by the CCS research, industrial, policy, and public communities. SimCCS 2.0 integrates multiple new capabilities including a refined optimization model, novel candidate network generation techniques, and optional integration with high-performance computing platforms. Accessing user-provided CO 2 source, sink, and transportation data, SimCCS 2.0 creates candidate transportation routes and formalizes an optimization problem that determines the most cost-effective CCS system design. This optimization problem is further solved either through a high-performance computing interface, or through third-party software on a local desktop computing platform. Finally, SimCCS 2.0 employs an open-access geographic information system framework to enable analysis and visualization capabilities. SimCCS 2.0 is written in Java and is publicly available via GitHub to encourage collaboration, modification, and community development.

42 ENGINEERING↗
DOE OSTI2017

The medical science DMZ: a network design pattern for data-intensive medical science

Abstract Objective We describe a detailed solution for maintaining high-capacity, data-intensive network flows (eg, 10, 40, 100 Gbps+) in a scientific, medical context while still adhering to security and privacy laws and regulations. Materials and Methods High-end networking, packet-filter firewalls, network intrusion-detection systems. Results We describe a “Medical Science DMZ” concept as an option for secure, high-volume transport of large, sensitive datasets between research institutions over national research networks, and give 3 detailed descriptions of implemented Medical Science DMZs. Discussion The exponentially increasing amounts of “omics” data, high-quality imaging, and other rapidly growing clinical datasets have resulted in the rise of biomedical research “Big Data.” The storage, analysis, and network resources required to process these data and integrate them into patient diagnoses and treatments have grown to scales that strain the capabilities of academic health centers. Some data are not generated locally and cannot be sustained locally, and shared data repositories such as those provided by the National Library of Medicine, the National Cancer Institute, and international partners such as the European Bioinformatics Institute are rapidly growing. The ability to store and compute using these data must therefore be addressed by a combination of local, national, and industry resources that exchange large datasets. Maintaining data-intensive flows that comply with the Health Insurance Portability and Accountability Act (HIPAA) and other regulations presents a new challenge for biomedical research. We describe a strategy that marries performance and security by borrowing from and redefining the concept of a Science DMZ, a framework that is used in physical sciences and engineering research to manage high-capacity data flows. Conclusion By implementing a Medical Science DMZ architecture, biomedical researchers can leverage the scale provided by high-performance computer and cloud storage facilities and national high-speed research networks while preserving privacy and meeting regulatory requirements.

Peisert, Sean↗
DOE OSTI2019

Tracer-Guided Characterization of Dominant Pore Networks and Implications for Permeability and Wettability in Shale

Pore network characterization is an important aspect in unconventional reservoir evaluation. While application of the technique of scanning electron microscope (SEM) brings substantial advances in pore characterization in shale, understanding the connected pore network that dominates flow in shale samples is limited by using SEM alone because of small fields of view and lack of views of connectivity in 3D. In this research, a technique integrating tracer imbibition, micro-computed tomography (CT) imaging, and SEM imaging was developed to provide a solution for multiscale imaging in shale. Tracer imbibition indicates pore connectivity; micro-CT imaging after tracer imbibition thus provides an overview of the connected pore network at the millimeter scale. With guidance from micro-CT images after tracer imbibition, a more accurate and detailed characterization of pore systems and related mineralogy can be conducted using higher-resolution SEM. The method was applied to five samples from Wolfcamp and Eagle Ford Formations. Results reveal the effectiveness of the integrated method by showing different patterns of distribution of the dominant pore network and different controlling mineralogy. Dominant porosity, estimated from grayscale analyses, displays a good correlation with permeability. This result indicates that dominant porosity is more relevant to permeability than is total porosity. Results from imbibition tests are also compared with that from contact angle measurement, and important implications on wettability can be obtained. The integrated method thus has the capacity to link the dominant pore network and wettability with microscale to submicroscale mineralogy, which can help better understand the pore systems and fluid flow in shale. Plain Language Summary Pore network characterization and wettability are two important aspects in unconventional reservoir evaluation and are crucial to understanding the nature of shale oil or gas storage and production. Here, a new technique integrating tracer imbibition, micro-computed tomography imaging, and scanning electron microscope imaging was developed for a more representative and effective pore characterization in shale. This integrated technique can provide a direct visualization of the dominant pore network in a millimeter-scale sample and, at the same time, can provide a guided pore network characterization under nanoscale resolution. This method thus can generate results that are more representative and more accurate in a more efficient way compared with the traditional scanning electron microscope method. The new technique can also reveal the local wettability in microscale. High-resolution analysis on the tracer imbibition or fluid displacement and mineralogy can shed light on the local wettability and the controlling mineralogy in shale.

58 GEOSCIENCES↗
NASA NTRS1986

Scientific computing environment for the 1980s

An emerging scientific computing environment in which computers are used not only to solve large-scale models, but are also integrated into the daily activities of scientists and engineers, is discussed. The requirements of the scientific user in this environment are reviewed, and the hardware environment is described, including supercomputers, work stations, mass storage, and communications. Significant increases in memory capacity to keep pace with performance increases, the introduction of powerful graphics displays into the work station, and networking to integrate many computers are stressed. The emerging system software environment is considered, including the operating systems, communications software, and languages. New scientific user tools and utilities that will become available are described.

Bailey, F. R.↗
DOE OSTI2026

Understanding Regional Inertia Dynamics in CAISO from Real Grid Disturbances

The shift from synchronous generators to inverter-based resources has caused power system inertia to be unevenly distributed across power grids. As a result, certain grid regions are more vulnerable to high rate-of-change of frequency (RoCoF) during disturbances. This paper presents a measurement-based framework for estimating grid inertia in CAISO (California Independent System Operator) region using real disturbance-driven frequency data from the Frequency Monitoring Network (FNET/GridEye). By analyzing confirmed disturbances from 2013 to 2024, we identify trends in regional inertia and frequency dynamics, highlighting their relationship with renewable generation and the evolving duck curve. Regional RoCoF values were up to six times higher than interconnection-wide values, coinciding with declining inertia. Recent recovery in inertia is attributed to the increased deployment of battery energy storage systems with synthetic inertia capabilities. These findings underscore the importance of regional inertia monitoring, strategic resource planning, and adaptive operational practices to ensure grid reliability amid growing renewable integration.

Dulal, Saurav [University of Tennessee, Knoxville ↗
DOE OSTI2017

Enabling High Availability Service with oVirt Virtualization and CephFS

The online computing environment at STAR has generated demand for high availability of services (HAS) and a resilient uptime guarantee. Such services include databases, webservers, and storage systems that user and sub-systems tend to rely on for their critical workflows. Standard deployment of services on bare metal creates a problem if the fundamental hardware fails or loses connectivity. Additionally, the configuration of redundant failover nodes (a secondary Web service for example) requires constant syncing of configuration and content and sometimes manual interaction for switching hardware (DNS name comes to mind). For this project, we will focus on two tools: oVirt and Ceph. oVirt is an OpenSource virtualization management application that enables central management of hardware nodes, storage, and network resources used to deploy and monitor virtual machines. oVirt supports the deployment of a virtual environment for your data center leveraging automatic provisioning, live migration, and the ability to easily scale the number of hypervisors. oVirt enables the use of multiple storage technologies where you can store virtual machines, images, and templates within one or multiple storage systems. STAR's recent efforts focused on deploying a CephFS POSIX compliant distributed storage system, we would enable the ability to couple our Ceph storage with the oVirt virtualization management system. When designing an intricate system for hosting critical services, it is a requirement to circumvent single points of failure. This work will involve the testing and viability of such an approach along with test cases for high availability, live migration, and service on demand.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Building an Integrated Ecosystem of Computational and Observational Facilities to Accelerate Scientific Discovery

Future scientific discoveries will rely on flexible ecosystems that incorporate modern scientific instruments, high performance computing resources, parallel distributed data storage, and performant networks across multiple, independent facilities. In addition to connecting physical resources, such an ecosystem presents many challenges in logistics and accessibility, especially in orchestrating computations and experiments that span across leadership computing systems and experimental instruments. Past efforts have typically been application-specific or limited to interfaces for computing resources. This paper proposes a general framework for integrating computation resources and instrument operations, addressing challenges in code development/execution, data staging and collection, software stack, control mechanisms, resource authorization and governance, and hardware integration. We also describe a demonstration use case wherein a Bayesian optimization algorithm running on an edge computing resource guides a scanning probe microscope to autonomously and intelligently characterize a material sample. This science edge ecosystem framework will provide a blueprint for federating multi-institutional, disparate resources and orchestrating scientific workflows across them to enable next-generation discoveries.

Somnath, Suhas↗
DOE OSTI2024

Exploring DAOS as a Burst Buffer for a 100 Gbps DAQ Real-Time Streaming System

We present an experimental evaluation of a burst buffer for a real-time DAQ streaming system designed to transmit instrument data to remote data centers. The system is based on EJ-FAT, a load balancing system capable of Nx 100Gbps streams, distributing data from event sources to processing nodes. We explore applying the DAOS system as a burst buffer to serve a number of purposes: improve resiliency, elasticity and add new functions into the processing pipeline. In the evaluation a sender transmits events over a 100Gbps network to a receiver integrated with DAOS to store the reassembled events using DAOS APIs. We evaluate the system for possible bottlenecks and provide end-to-end evaluation with a burst buffer using DAOS storage abstractions. We show that a receiver node can support 38.1 Gbps. This proves the viability of our approach and allows us to extend this work to investigate scale-out properties and new streaming optimizations.

Mei, Xinxin↗
NASA NTRS1982

Short-Circuited Power Networks

NASA computer program automatically analyzes power-system networks under faulted conditions. Program is general enough to calculate single-line to ground faults and three-phase-to-ground faults. Several novel programing techniques automate analysis while reducing computing time and storage requirements. Program is written in FORTRAN IV for batch execution.

Oepomo, T. S.↗
NASA NTRS2003

VLBI Data Longevity

The current cache of S/X-band geodetic/astrometric VLBI data accumulated since 1979 is approx.4.2 million observations and is increasing by approx.300,000 observations per year. The long time interval and access to all such VLBI data for re-analysis have contributed to their usefulness for the terrestrial and celestial reference frames, Earth orientation parameters, tidal and nontidal loading, and troposphere. While data access and integrity have been maintained through the Mark III data base system as storage devices and media have evolved, past transitions have been major projects. A new format and retention concept to ensure eternal archiving and access should make use of self-documentation, generalized media, network connectivity and multiple redundancy. Similarly permanent organizations or sequences of organizations are also necessary.

Ma, Chopo↗
NASA NTRS2004

Data Longevity Beyond 2010

The current cache of S/X-band geodetic/astrometric VLBI data accumulated since 1979 is approx. 5 million observations and is increasing by approx. 300,000 observations per year. The long time interval and access to all such VLBI data for re-analysis have contributed to their usefulness for the terrestrial and celestial reference frames, Earth orientation parameters, tidal and non-tidal loading, and troposphere. While data access and integrity have been maintained through the Mark III data base system as storage devices and media have evolved, past transitions have been major projects. A new format and retention concept to ensure eternal archiving and access should make use of self-documentation, generalized media, network connectivity and multiple redundancy. Similarly permanent organizations or sequences of organizations are also necessary.

Ma, Chopo↗