Search NASA⌕ Search

SEARCH · Search NASA

Results for “Center Capabilities”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 199 records · Page 11

Vanadyl Phosphates A x VOPO 4 (A = Li, Na, K) as Multielectron Cathodes for Alkali-Ion Batteries

Vanadyl phosphates comprise a class of multielectron cathode materials capable of cycling two Li + , about 1.66 Na + , and some K + ions per redox center. In this review, structures, thermodynamic stabilities, and ion diffusion kinetics of various A x VOPO 4 (A = Li, Na, K, NH 4 ) polymorphs are discussed. Both the experimental data and first-principle calculations indicate kinetic limitations for alkali metal ions cycling, especially between for 0 ≤ x ≤ 1, and metastability of phases with x > 1. This creates challenges for multiple-ion cycling, as the slow kinetics call for nanosized particles, which being metastable and reactive with organic electrolytes are prone to side reactions. Thus, various synthesis approaches, surface coating, and transition metal ion substitution strategies are discussed here as possible ways to stabilize A x VOPO 4 structures and improve alkali metal ion diffusion. Finally, the role of advanced characterization techniques, such as X-ray absorption spectroscopy, diffraction, pair distribution function analysis and 7 Li and 31 P NMR, in understanding the reaction mechanism from both structural and electronic points of view is emphasized.

25 ENERGY STORAGE↗

Atomically Dispersed Pentacoordinated‐Zirconium Catalyst with Axial Oxygen Ligand for Oxygen Reduction Reaction

Single-atom catalysts (SACs), as promising alternatives to Pt-based catalysts, suffer from the limited choice of center metals and low single-atom loading. Here, we report a pentacoordinated Zr-based SAC with nontrivial axial O ligands (denoted O-Zr-N-C) for oxygen reduction reaction (ORR). The O ligand downshifts the d-band center of Zr and confers Zr sites with stable local structure and proper adsorption capability for intermediates. Consequently, the ORR performance of O-Zr-N-C prominently surpasses that of commercial Pt/C, achieving a half-wave potential of 0.91 V vs. reversible hydrogen electrode and outstanding durability (92% current retention after 130-hour operation). Moreover, the Zr site shows good resistance towards aggregation, enabling the synthesis of Zr-based SAC with high loading (9.1 wt%). With the high-loading catalyst, the zinc-air battery (ZAB) delivers a record-high power density of 324 mW cm -2 among those of SAC-based ZABs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

New capability for neutron transmission measurements at LANSCE: The DICER instrument

A new capability for neutron transmission measurements has been developed at the Los Alamos Neutron Science Center (LANSCE). The DICER (Device for Indirect Capture Experiments on Radionuclides) instrument is designed to tightly constrain neutron-capture cross sections for short-lived radionuclides that are beyond the reach of direct techniques, via measurement and analysis of neutron transmission resonances on these same radionuclides. The innovative DICER apparatus enables simultaneous sample-in and sample-out measurements, thus minimizing the amount of sample material needed and reducing the measurements time by half. A description of the current status of the new transmission station, along with a performance overview and results from known reactions, will be presented here.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

RELAP5-3D validation studies based on the High Temperature Test facility

In the spring and summer of 2019, experiments were conducted at the High Temperature Test Facility (HTTF) that form the basis of an upcoming high-temperature gas-cooled reactor (HTGR) thermal hydraulics (T/H) benchmark. HTTF is an integral effects test facility for HTGR T/H modeling validation. This paper presents RELAP5-3D models of two of those experiments: PG-27, a pressurized conduction cooldown (PCC); and PG-29, a depressurized conduction cooldown (DCC). These models used the RELAP5-3D model of HTTF originally developed by Paul Bayless as a starting point. The sensitivity analysis and uncertainty quantification code, RAVEN was used to perform calibration studies for the steady-state portion of PG-27. Here we developed four PG-27 calibrations based on steady-state conditions. These calibrations all used an effective thermal conductivity equal to 36 % of the measured thermal conductivity, but they differed with respect to the frictional pressure drops and radial conduction models. These models all captured the trends in steady-state temperature distributions and transient temperature behavior well. All four calibrations show room for improvement in predicting the transient temperature rise. The smallest error in temperature rise during the transient was a 21 % underprediction, and the largest was a 48 % underprediction. The errors in transient temperature rise are largely a result of a mismatch in power density between the RELAP5-3D model and the experiment due to the location of active heater rods along the boundary between heat structures in the model. The best of these calibrations was applied to PG-29 to model the DCC. Once again, temperatures during the transient were underpredicted but trends in temperature were captured. The RELAP5-3D model captured trends in the data but could not reproduce measured temperatures exactly. This result is not attributed to deficiencies in the experimental data or to RELAP5–3D itself. Rather, this result likely arises due to the some of the assumptions and decisions made when the RELAP5-3D model was first developed, prior to the execution of HTTF experiments. An agreement in prediction of temperature trends but challenges reproducing HTTF temperatures within measurement uncertainty is consistent with previous analyses of HTTF in the literature. Future RELAP5-3D validation activities centered around HTTF may be able to provide greater insight into the code’s capabilities for HTGR modeling with a more finely nodalized model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Evidence of TeV halos around millisecond pulsars

Using data from the HAWC gamma-ray Telescope, we have studied a sample of 37 millisecond pulsars (MSPs), selected for their spindown power and proximity. From among these MSP, we have identified four which favor the presence of very high-energy gamma-ray emission at a level of (2Δ ln L) 1/2 ≥ 2.5. Adopting a correlation between the spindown power and gamma-ray luminosity of each pulsar, we performed a stacked likelihood analysis of these 37 MSPs, finding that the data supports the conclusion that these sources emit very high-energy gamma-rays at a level of (2Δ ln L) 1/2 = 4.24. Among sets of randomly selected sky locations within HAWC’s field-of-view, less than 1% of such realizations yielded such high statistical significance. Our analysis suggests that MSPs produce very high-energy gamma-ray emission with a similar efficiency to that observed from the Geminga TeV-halo, η MSP = (0.39 - 1.08) x η Geminga . So this conclusion poses a significant challenge for pulsar interpretations of the Galactic Center gamma-ray excess, as it suggests that any population of MSPs potentially capable of producing the GeV excess would also produce TeV-scale emission in excess of that observed by HESS from this region. Future observations by CTA will be able to substantially clarify this situation

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

C2QA - Bosonic Qiskit

The practical benefits of hybrid quantum information processing hardware that contains continuous-variable objects (bosonic modes such as mechanical or electromagnetic oscillators) in addition to traditional (discrete-variable) qubits have recently been demonstrated by experiments with bosonic codes that reach the break-even point for quantum error correction [1]–[5] and by efficient Gaussian boson sampling simulation of the Franck-Condon spectra of triatomic molecules [6] that is well beyond the capabilities of current qubit-only hardware. The goal of this Co-design Center for Quantum Advantage (C2QA) project is to develop an instruction set architecture (ISA) for hybrid qubit/bosonic mode systems that contains an inventory of the fundamental operations and measurements that are possible in such hardware. The corresponding abstract machine model (AMM) would also contain a description of the appropriate error models associated with the gates, measurements and time evolution of the hardware. This information has been implemented as an extension of IBM Qiskit. IBM Qiskit is an open-source software development toolkit (SDK) for simulating the quantum state of a quantum circuit and for running the same circuits on prototype hardware within the IBM Quantum Experience. We introduce the Bosonic Qiskit software to enable the simulation of hybrid qubit/bosonic systems using the existing Qiskit software development kit [7]. This implementation can be used for simulating new hybrid systems, verifying proposed physical systems, and modeling systems larger than can currently be constructed. We also cover tutorials and example use cases included within the software to study JaynesCummings models, bosonic Hubbard models, plotting Wigner functions and animations, and calculating maximum likelihood estimations using Wigner functions.

quantum, boson, Qiskit↗

Implementation and Demonstration of P4 Software for Improving ICS Protocol Visibility and Control [Slides]

No prior enabling funded work applicable to this proposal. Programming Protocol-independent Packet Processors (P4) is an open source, domain-specific programming language for network switching devices. P4 complements traditional Software Defined Networking (SDN) which is primarily concerned with the management of packets (e.g. routing/dropping decisions) rather than how each packet is processed. The introduction of P4 provided new capabilities (e.g. firewall, load balancing, enhanced security) but has primarily been deployed in data centers. This effort investigates ways to expand P4 into other niches such as ICS networks.

97 MATHEMATICS AND COMPUTING↗

Preliminary Reactor Fueling Support Equipment Recommendation

The National Reactor Innovation Center (NRIC) is a national program that was established as part of the Nuclear Energy Innovation Capabilities Act (NEICA). NRIC’s mission is to accelerate the demonstration and deployment of advanced nuclear energy through its mission to inspire stakeholders and the public, empower innovators, and deliver successful outcomes through efficient coordination of partners and resources. NRIC is designed to bridge the gap between research, development, and the marketplace to help convert some of the nation’s most promising advanced nuclear reactors into commercial applications.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Integrating Data Centers and Grid Technologies at Scale

This presentation focuses on the challenge of integrating AI-driven data centers with the power grid at scale. It examines the AI data center capacity challenge and the role of new Medium Voltage Direct Current (MVDC) and other grid-enhancing technologies in enabling efficient and reliable power delivery. The session will highlight the National Laboratory of the Rockies' ARIES capabilities and planning tools, along with collaborative examples involving Verrus, Compass, and Schneider through the Agora test bed for grid-friendly data center evaluations, and ON. Energy for UPS evaluation. It will showcase the NLR Stable Grid Platform for studying oscillations caused by large-scale data centers, along with planning tools to assess grid security and reliability. Additionally, the presentation covers reconductoring strategies to increase grid capacity and explores innovative data center architectures, including the Advanced DC Architectures with Power-electronic Transformers (ADAPT) platform, which enables testing of complete DC architectures for data centers.

24 POWER TRANSMISSION AND DISTRIBUTION↗

FORCE Integration with DRAFT and IDAES

Integrated energy systems (IES) combine, in mutually beneficial ways, power from variable renewable energy sources and nuclear power plants (NPP) to produce multiple commodities and improve economic viability under uncertain market conditions. Technical and economic analysis of IES requires modeling of complex processes with software models having enough fidelity to capture real-world dynamics while still being capable of running using reasonable computing resources. The open-source Framework for Optimization of Resources and Economics (FORCE) tool suite, developed at Idaho National Laboratory (INL), has enabled comprehensive modeling and simulation of IES. The capabilities within FORCE include grid portfolio optimization through the Holistic Energy Resource Optimization Network (HERON) and the transient process model analysis library HYBRID, among others. Recent developments for the FORCE toolset have centered on strengthening the flexibility and modularity to link with external models and other available software to enhance IES simulations. Adding versatility to the FORCE toolset improves capability resulting in better techno-economic simulation of nuclear and IES components (both in potential higher fidelity and accuracy to expected performance after deployment). It also helps leverage existing work in the IES field and improve efficiency in national code development. This report focuses on two such endeavors: integration of the Dynamic Reliability Analysis Framework Tool (DRAFT) and the Design Integration and Synthesis Platform to Advance Tightly Coupled Hybrid Energy Systems (DISPATCHES) software packages into FORCE.

97 MATHEMATICS AND COMPUTING↗

SITCOMTN-164: AnaCal Shear Profile of Abell 360 in LSSTComCam Data Preview 1

This technote presents the measurement of the weak-lensing shear profile for the Abell 360 galaxy cluster using LSSTComCam data processed with the AnaCal pipeline. We detail the procedures involved in bright-star masking, source selection, and the estimation of tangential and cross shear around the cluster center. The resulting shear profiles provide key insights into the mass distribution of Abell 360 and demonstrate the capabilities of AnaCal in processing early LSST data, with the tangential shear profile detected at 5σ significance.

79 ASTRONOMY AND ASTROPHYSICS↗

New Virtual Test Bed Capabilities: Virtual DOME Model and New Updates to Repository

The Department of Energy (DOE) Office of Nuclear Energy National Reactor Innovation Center accelerates the deployment of novel reactor concepts by establishing both physical and virtual spaces for building and testing various components, systems, and complete pilot plants. The Virtual Test Bed represents the virtual arm of the National Reactor Innovation Center and is a joint effort with the DOE Nuclear Energy Advanced Modeling and Simulation Program. The Virtual Test Bed mission is to accelerate the deployment of advanced reactors by facilitating the adoption of cutting-edge DOE advanced modeling and simulation tools to design, evaluate, and license reactors. This is primarily achieved by storing example challenge problems in an externally available repository and by developing models to fill the M&S gaps needed for potential demonstrators. Activities conducted this fiscal year focused on developing of a Demonstration of Microreactor Experiments shield model to help accelerate the confirmatory analysis required for the reactor demonstration. This model and workflow will allow developers to leverage advanced modeling and simulation tools to ensure their reactor demonstration concept will meet dose requirements and that the surrounding shield will stay within concrete temperature limits during steady-state and transient operation conditions. An initial model has been developed to evaluate the temperature distribution in the concrete shield during steady-state operation, including neutron and gamma heating effects. Various modeling strategies have been examined to understand their applicability and limitations with different reactor designs to make the workflow as reactor-agnostic as possible and computationally effective to maximize its usability. In addition to describing the Demonstration of Microreactor Experiments shield model and associated results, this report summarizes other accomplishments regarding repository maintenance and improvement and new external models hosted on the repository.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

CSAC observations from 2025 CHEDAR review [Slides]

Overall, the CSAC is impressed by the strong start of CHEDAR, a multi-institutional center with broader scope than its predecessor. The CSAC was impressed and energized by discussions with center students and staff; the enthusiasm for science is universal and the sense of the contribution in context to the NNSA mission is mostly understood. The Center is well positioned to build on a strong start and (1) enhance integration of code-development targeted to, and numerical design in on-going experimental campaigns, (2) focus and better tell the story of the astrophysical connection for on-going experimental campaigns, and (3) expand and deepen ties between Center students (and faculty) and the NNSA National Laboratories. Overall, the CSAC was encouraged and energized by the materials presented. Now, the Center has to recognize the need to continue growing strategically. There is abundant access to experimental facilities – is that a challenge to focused effort? The PIs will need to balance the pace of experimental campaigns and analysis and simulation so that informed progress and focused investigation can develop in each campaign. There was a clear need to connect simulations to the goals of experimental campaigns – what is the best way to cultivate that connection? Are there adequate resources in the near term to develop code capability? What is the balance between close personal mentorship and collaboration across the separate institutions that compose the Center? The CSAC feels confident that the team leading CHEDAR will find creative solution to these challenges.

47 OTHER INSTRUMENTATION↗

Field Programmable Gate Arrays for Enhancing the Speed and Energy Efficiency of Quantum Dynamics Simulations

We present the first application of field programmable gate arrays (FPGAs) as new, customizable hardware architectures for carrying out fast and energy-efficient quantum dynamics simulations of large chemical/material systems. Instead of tailoring the software to fixed hardware, which is the typical case for writing quantum chemistry code for central processing units (CPUs) and graphics processing units (GPUs), FPGAs allow us to directly customize the underlying hardware (even at the level of specific electrical signals in the circuit) to give a truly optimized computational performance for quantum dynamics calculations. By offloading the most intensive and repetitive calculations onto an FPGA, we show that the computational performance of our real-time electron dynamics calculations can even exceed that of optimized commercial mathematical libraries running on high-performance GPUs. In addition to this impressive computational speedup, we show that FPGAs are immensely energy-efficient and consume 4 times less energy than modern GPU or CPU architectures. These energy savings are a practical and important metric for supercomputing centers (many of which exceed over $1 million in power costs alone), as exascale computing capabilities become more widespread and commonplace. Taken together, the implementation techniques and performance metrics of our study demonstrate that FPGAs could play a promising role in upcoming quantum chemistry and materials science applications, particularly for the acceleration and energy-efficient execution of quantum dynamics calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Architector

Architector is a 3D chemical structure generation software package designed to take minimal 2D information about ligands and metal centers and generates chemically sensible 3D conformers and stereochemistry of the organometallic compounds. Architector is capable of high-throughput in-silico construction of s-, p-, d-, and f-block organometallic complexes. Architector represents a transformative step towards cross-periodic table computational design of metal complex chemistry.

Yang, Ping↗

2020 Exascale Computing Project Annual Meeting (Executive Summary Report)

The Exascale Computing Project (ECP) delivers specific applications, software products, and outcomes on DOE computing facilities. Integration across these elements for specific hardware technologies for exascale system instantiations is fundamental to ECP success. The outcome of the ECP is the delivery of a capable exascale computing ecosystem to provide breakthrough solutions addressing our most critical challenges in scientific discovery, energy assurance, economic competitiveness, and national security. This outcome is not a matter of ensuring more powerful computing systems. The ECP is designed to create more valuable and rapid insights from a wide variety of applications (“capable”), which requires a much higher level of inherent efficacy in all methods, software tools, and ECP-enabled computing technologies to be acquired by DOE laboratories (“ecosystem”). The ECP annual meeting provides a unique opportunity for the core technical expertise in the United States focused on achieving this next plateau of computational science and computing performance to engage in direct discussions on project execution. Face-to-face gatherings in technical communities like this are common and needed for the exchange of scientific ideas and technical performance. The ECP annual meeting stands apart from other technical conferences and meetings in the computing community as it is uniquely and solely focused on the execution of the ECP and the integration of technical activities leading to the creation of the exascale computing ecosystem for the future. The direct interaction of key critical technical staff, who are leaders in their respective fields, and the resulting give-and-take between software, applications, and hardware and the technical co-design therein, is unique and essential to the effective execution of the ECP. The first annual meeting was held in Knoxville, Tennessee, January 31 – February 2, 2017 and brought together, for the first time, a diverse collection of researchers from 16 DOE national laboratories as well as university computer and computational science researchers to discuss shared problems and joint solutions for the development of a capable exascale computing ecosystem. These interactions resulted in focused technical plans and an energized community centered on advances for ECP. The second annual meeting was held in Knoxville, Tennessee, February 5–9, 2018. It included 643 individual thought leaders and performers in application development, software research and deployment, and hardware research and integrators, all of whom are part of the multifaceted, billion dollar HPC community. This meeting provided a platform to discuss and disseminate numerous examples where researchers with common goals and synergistic solutions came together for the first time to deliver tangible results. Additionally, at the 2018 meeting, ECP researchers had the opportunity to digest all US HPC vendor R&D product roadmaps pointing to exascale – not only to learn how their research can play a role, but, more importantly, to influence those roadmaps to ensure successful delivery on DOE applications that will contribute to (if not solve) problems of national interest in national security, science, energy, and health, as well as growing security threats. The third annual meeting was held in Houston, Texas, January 14–17, 2019. With a 19% increase in the number of registrations (768 people), and the change in location, the third annual meeting was considered the most impactful of the three at the time. The new website provided a better platform for the dissemination of the content, the new venue as a meeting hotel instead of a conference center facilitated interactions and discussions after event hours, and the addition of an award-winning mobile event conference app (Whova) transformed dramatically the attendee experience at the event. This fourth annual meeting was held in Houston, Texas, February 3-7, 2020. This meeting had an increase in the number of attendees for a total of 824 people registered (782 attendees) and included numerous enhancements based on feedback and lessons learned from previous meetings, some of which are listed here: Improved quality of the sessions, their material and the whole program.; Had more industry participation and addition of external collaborators from overseas.; Published the full agenda earlier to better accommodate attendance and travel plans based on schedule.; Centralized all sessions in one venue.; Provided additional hotels and room blocks for the attendees.; Improved communication with the audience (links, material, directions, notifications, etc.) to go paperless.; Enhanced side meeting scheduling, management and user experience.; Made available additional space and tables for impromptu meetings and side discussions.; Improved IT and A/V solutions for speakers. In addition, our final survey captured the following points as opportunities for improvement in future meetings: consider a different meeting location that is more pedestrian friendly, reduce talks during working meals to allow more collaboration and informal time, adapt the agenda to acknowledge attendees from different timezones, consider recording some of the tutorials and/or sessions to share broadly with the HPC community, have a larger poster room, provide additional power strips, and improve the WiFi.

97 MATHEMATICS AND COMPUTING↗

GoldSim E-Area Low-Level Waste Lacility Vadose Zone Model Benchmarking

This report documents the development and benchmarking of the E-Area Low-Level Waste Facility (ELLWF) GoldSim Engineered and Slit Trench (ET and ST) vadose zone models. Subsequent activities (beyond the scope of this effort) will couple the GoldSim-based vadose zone models to the GoldSim aquifer model, with the intent of performing stochastic analyses that couple all pertinent fate and transport processes from the ground surface up to the 100-m Point of Assessment (POA). The benchmarking presented within this report focuses on the Slit Trench 06 (ST06) bydrostratigraphic location that resides within the center set of slit trenches. These GoldSim-based vadose zone models are generic models capable of being benchmarked to any of the other trench locations within E-Area.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Blockchain for Fault-Tolerant Grid Operations Version 2.0

This report explores the potential of distributed ledger technology (DLT) as a transformative tool to enhance fault-tolerant operations in electrical distribution systems. Leveraging DLT's core attributes, including an immutable decentralized ledger, distributed consensus mechanisms, and state replication capabilities, this study focuses on three critical use cases. A central aspect of this research centers on the utilization of a consensus-driven ledger, providing actors within the system, such as distributed resources, with access to a reliable data repository. This empowers these actors to collaborate effectively and make informed decisions, all securely recorded on the blockchain. The first use case concentrates on data configuration, utilizing mathematical criteria---particularly, the chi-squared test for gross error detection---to identify trustworthy sensors for advanced decision-making. Building upon this foundation of trust, the second use case, topology identification, accurately determines circuit breaker states, unveiling the distribution network's topology. Ultimately, the third use case leverages this trust to execute switching actions, reconfiguring feeders and restoring power to disconnected customers after fault events. The concept of trust serves as a cornerstone in this approach, marking a departure from traditional fault location, isolation, and service restoration (FLISR) methods. Additionally, the blockchain-based architecture introduces decentralization, empowering disconnected areas to make autonomous decisions, even when communication with a central control center is disrupted. The primary contributions of this report are twofold: (1) a novel approach for evaluating distribution system voltage areas while preserving data ownership and (2) the implementation of interactions between distribution network areas using the actor model. Unlike the previous sequential approach for evaluating the area connection voltages, which required a radial network topology, this study's area model reduction enables a more versatile approach. The area model reduction addresses issues of prolonged data waiting times and multiple points of failure within the previous approach. Notably, the presented evaluation for the reduced network model area connection reveals a significant increase in the differences in voltage magnitudes. Simulation and evaluation of area agents across four distinct cases elucidate the area-level interaction behavior during a fault event. Simulations demonstrate that the proposed distributed FLISR (DFLISR) approach can successfully restore service to an affected area. Varying message delays and message loss probabilities in each simulation case underscore their impacts on restoration times, ranging from 3 min and 32 s to 6 min and 19 s. In contrast, power is not restored in an area in one of our simulation cases.

24 POWER TRANSMISSION AND DISTRIBUTION↗