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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

CMSSW Scaling Limits on Many-Core Machines

Today the LHC offline computing relies heavily on CPU resources, despite the interest in compute accelerators, such as GPUs, for the longer term future. The number of cores per CPU socket has continued to increase steadily, reaching the levels of 64 cores (128 threads) with recent AMD EPYC processors, and 128 cores on Ampere Altra Max ARM processors. Over the course of the past decade, the CMS data processing framework, CMSSW, has been transformed from a single-threaded framework into a highly concurrent one. The first multithreaded version was brought into production by the start of the LHC Run 2 in 2015. Since then, the framework's threading efficiency has gradually been improved by adding more levels of concurrency and reducing the amount of serial code paths. The latest addition was support for concurrent Runs. In this work we review the concurrency model of the CMSSW, and measure its scalability with real CMS applications, such as simulation and reconstruction, on mode rn many-core machines. We show metrics such as event processing throughput and application memory usage with and without the contribution of I/O, as I/O has been the major scaling limitation for the CMS applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Core–Multishell-Structured Digital-Gradient Cathode Materials with Enhanced Mechanical and Electrochemical Durability

Ni-rich cathode materials provide high energy density, but their structural and surface instability limits their cyclability and thermal stability. As one of the approaches to mitigate this problem, cathode materials comprising Ni-rich high-capacity core wrapped in Mn-rich multiple shells are produced successfully. In contrast to the conventional batch-type process for concentration-gradient materials, a digital-gradient cascade coprecipitation process described here achieves the improvements in productivity and quality consistency needed to move toward large-scale manufacturing. The core-multishell cathode materials produced in this manner not only have longer cycle life and improved rate performance compared to homogeneous Ni-rich cathode materials having the same overall composition, but also show remarkably enhanced thermal stability and low impedance growth characteristics. In a novel attempt to determine the correlation between the mechanical properties of the core-multishell cathode particles and their electrochemical cyclabilities, their breaking force and elasticity were successfully measured using a statistical approach, which indicates that a cathode particle with stable surface composition as well as high breaking force has improved capacity retention and durability. These results guide the realization of long life and high thermal stability in Ni-rich cathode materials through heterogeneous particle engineering.

25 ENERGY STORAGE↗
DOE OSTI2020

Neodymium-iron-boron magnet with selective surface modification, and method of producing same

A bulk high performance permanent magnet comprising a neodymium-iron-boron core having an outer surface, and a coercivity-enhancing element residing on at least a portion of said outer surface, with an interior portion of said neodymium-iron-boron core not having said coercivity-enhancing element therein. Also described herein is a method for producing the high-coercivity bulk permanent magnet, the method comprising: (i) depositing a coercivity-enhancing element on at least a portion of an outer surface of a neodymium-iron-boron core substrate to form a coated permanent magnet; and (ii) subjecting the coated permanent magnet to a pulse thermal process that heats said outer surface to a substantially higher temperature than an interior portion of said neodymium-iron-boron core substrate, wherein said substantially higher temperature is at least 200° C. higher than said interior portion and is of sufficient magnitude to induce diffusion of said coercivity-enhancing element below said outer surface but outside of said interior portion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Deformation Rate‐Adaptive Conducting Polymers and Composites

Abstract Materials are more easily damaged during accidents that involve rapid deformation. Here, a design strategy is described for electronic materials comprised of conducting polymers that defies this orthodox property, making their extensibility and toughness dynamically adaptive to deformation rates. This counterintuitive property is achieved through a morphology of interconnected nanoscopic core–shell micelles, where the chemical interactions are stronger within the shells than the cores. As a result, the interlinked shells retain material integrity under strain, while the rate of dissociation of the cores controls the extent of micelle elongation, which is a process that adapts to deformation rates. A prototype based on polyaniline shows a 7.5‐fold increase in ultimate elongation and a 163‐fold increase in toughness when deformed at increasing rates from 2.5 to 10 000% min −1 . This concept can be generalized to other conducting polymers and highly conductive composites to create “self‐protective” soft electronic materials with enhanced durability under dynamic movement or deformation.

Hernandez, Victor↗
DOE OSTI2022

Regimes of evaporation and mixing behaviors of nanodroplets at transcritical conditions

The objective of this paper is to examine the fundamental mechanisms responsible for the transition between subcritical evaporation and supercritical dense-fluid-mixing in the absence of convection effects, specifically focusing on the liquid–vapor interfacial dynamics. To isolate the dynamics of this transition process, we characterize the different physical behaviors exhibited by an -dodecane nanoscale droplet placed in different nitrogen ambient conditions across the fuel’s critical point. We employ a continuum-based interface-resolving diffuse-interface method to explore the underlying phase-exchange mechanisms that bring about such distinct dynamics. Following the comparison against molecular dynamics simulations and experiments of evaporating droplets and experimental data for vapor–liquid equilibria, a parametric study at various ambient conditions and droplet sizing is performed to identify four regimes of evaporation/mixing behaviors: sub- and supercritical droplet evaporation, and sub- and supercritical dense-fluid-mixing. It is shown that the distinction in the phase-exchange mechanisms in these four regimes are brought about by the different thermodynamic phases the droplet center can exhibit during the evaporation/mixing process: subcritical liquid, supercritical liquid-like, subcritical gaseous, and supercritical gas-like, respectively. It is shown that the subcritical dense-fluid-mixing behavior is a direct result of nanoconfinement of the liquid–vapor interfacial structure and thus is not present for large droplet sizes. Finally, the present study also shows that the supercritical phase-exchange dynamics can follow two different pathways: supercritical droplet-like evaporation and supercritical dense-fluid-mixing. Furthermore, promoting the early transition to supercritical dense-fluid-mixing can significantly expedite the phase-exchange process through the disintegration of the liquid-like droplet core.

42 ENGINEERING↗
DOE OSTI2015

A Combined SAXS/SANS Study for the in Situ Characterization of Ligand Shells on Small Nanoparticles: The Case of ZnO

ZnO nanoparticles (NPs) have great potential for their use in, e.g., thin film solar cells due to their electro-optical properties adjustable on the nanoscale. Therefore, the production of well-defined NPs is of major interest. For a targeted production process, the knowledge of the stabilization layer of the NPs during and after their formation is of particular importance. For the study of the stabilizer layer of ZnO NPs prepared in a wet chemical synthesis from zinc acetate, only ex situ studies have been performed so far. An acetate layer bound to the surface of the dried NPs was found; however, an in situ study which addresses the stabilizing layer surrounding the NPs in a native dispersion was missing. By the combination of small angle scattering with neutrons and X-rays (SANS and SAXS) for the same sample, we are now able to observe the acetate shell in situ for the first time. In addition, the changes of this shell could be followed during the ripening process for different temperatures. With increasing size of the ZnO core (d core ) the surrounding shell (d shell ) becomes larger, and the acetate concentration within the shell is reduced. For all samples, the shell thickness was found to be larger than the maximum extension of an acetate molecule with acetate concentrations within the shell below 50 vol %. Furthermore, there is not a monolayer of acetate molecules that covers the NPs but rather a swollen shell of acetate ions. This shell is assumed to hinder the growth of the NPs to larger macrostructures. In addition, we found that the partition coefficient μ between acetate in the shell surrounding the NPs and the total amount of acetate in the solution is about 10% which is in good agreement with ex situ data determined by thermogravimetric analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Femtosecond X-ray induced changes of the electronic and magnetic response of solids from electron redistribution

Resonant X-ray absorption, where an X-ray photon excites a core electron into an unoccupied valence state, is an essential process in many standard X-ray spectroscopies. With increasing X-ray intensity, the X-ray absorption strength is expected to become nonlinear. Here we report the onset of such a nonlinearity in the resonant X-ray absorption of magnetic Co/Pd multilayers near the Co L 3 edge. The nonlinearity is directly observed through the change of the absorption spectrum, which is modified in less than 40 fs within 2 eV of its threshold. This is interpreted as a redistribution of valence electrons near the Fermi level. For our magnetic sample this also involves mixing of majority and minority spins, due to sample demagnetization. Our findings reveal that nonlinear X-ray responses of materials may already occur at relatively low intensities, where the macroscopic sample is not destroyed, providing insight into ultrafast charge and spin dynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Guide field effects on the distribution of plasmoids in multiple scale reconnection

The effects of a finite guide field on the distribution of plasmoids in high-Lundquist-number current sheets undergoing magnetic reconnection in large plasmas are investigated with statistical models. Merging of plasmoids is taken into account either assuming that guide field flux is conserved resulting in nonforce-free profiles in general, or that magnetic helicity is conserved and Taylor relaxation occurs to convert part of the summed guide field flux into reconnecting field flux toward minimum energy states resulting in force-free profiles. It is found that the plasmoid distribution in terms of reconnecting field flux follows a power law with index 7/4 or 1 depending on whether merger frequencies are independent of or dependent on their relative velocity to the outflow speed, respectively. This result is approximately the same for the force-free and nonforce-free models, with nonforce-free models exhibiting indices of 2 and 1 for the same velocity dependencies. Distributions in terms of guide field flux yield indices of 3/2 for the nonforce-free model regardless of velocity dependence. This is notably distinct from the indices of 11/8 and 1 for the force-free models independent of and dependent on velocity, respectively. At low guide field fluxes, the force-free models exhibit a second power law index of 1/2 due to nonconstant flux growth rates. The velocity-dependent force-free model predicts the production of slightly more rapidly moving large guide field flux plasmoids which are supported by observational evidence of flux ropes with strong core fields. Implications are discussed on particle acceleration via Fermi processes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Overview and first measurements of the MAST Upgrade bolometer diagnostic

Here, a suite of multi-channel resistive bolometers has been implemented to measure the total radiation from Mega Amp Spherical Tokamak Upgrade plasmas, with cameras covering the core plasma and lower divertor chamber. Data are digitized and processed using novel field-programmable gate array-based electronics, offering improved compactness and new operational capabilities. A synthetic diagnostic has been developed to explore the quality of 2D reconstructions available from the system and to quantify the uncertainty on quantities such as the total radiated power. Measurements in the first campaign have demonstrated correct functioning of the diagnostic while also highlighting issues with electrical noise and some failure mechanisms of the detectors, as well as significant neutral beam fast-particle losses.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Satellites, core hole excitations, and spin-resolved electronic structure in the spectroscopy of half-metallic CrO 2

Photoelectron satellites—the structures appearing on the low kinetic or high binding-energy side of the “main” or “elastic” photopeak—betray the complex many-body interactions set in motion by the sudden creation of the core hole. In this work, we demonstrate, using the technologically important ferromagnetic half-metal CrO 2 , how such satellites can manifest themselves in other core-level spectroscopies of the material and how they can reveal important details pertinent to its electronic structure. Specifically, we identify a fluorescence satellite in the Cr 𝐿 3 resonant x-ray-emission spectra that radiates at a constant emission energy across the Cr 𝐿 3 x-ray edge with energy ≈1.3 eV above the ordinary valence fluorescence. Here, we provide evidence that this feature arises from the valence recombination of the Cr 2⁢𝑝 core hole “dressed” by the same shakeup charge-transfer process present in both the Cr x-ray photoelectron and the Cr x-ray absorption spectra with its energy uniquely measuring the exchange splitting of the Cr 3⁢𝑑 level. Further analysis of the x-ray emission data reveals three additional features that radiate at constant loss energy that are attributed to combinations of Cr 3⁢𝑑⁢(𝑡 2⁢𝑔 ) → Cr 3⁢𝑑⁢(𝑡 2⁢𝑔 ), charge-transfer O 2⁢𝑝→Cr 3⁢𝑑, and crystal-field Cr⁢ 3⁢𝑑⁡(𝑡 2⁢𝑔 )→Cr⁢ 3⁢𝑑⁡(𝑒 𝑔 ) excitations. These assignments and their energies are supported by density-functional theory calculations, the accuracy of which we demonstrate by hard x-ray valence-photoemission measurements. Atomic multiplet calculations, which include crystal-field effects, help interpret x-ray photoelectron and x-ray absorption spectra of the covalently mixed Cr ion. Resonant Cr K-𝐿 2,3 ⁢𝐿 2,3 Auger-electron emission spectra support a ligand-to-metal nature of the charge-transfer process while highlighting the charge sensitivity differences between photon-in/electron-out and photon-in/photon-out spectroscopies.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Multiparticle Photonuclear Reactions in the p-Process at Temperatures between 1 and 10 GK

The role of (γ, 2n), (γ, pn), and (γ, 2p) multiparticle photonuclear reactions in processes that lead to the nucleosynthesis of p-nuclides is considered. The library of rates of multiparticle photonuclear reactions that was developed for the temperature range between 1 and 10 GK and which is intended for use in stellar-evolution models and in calculations of nucleosynthesis is described. A simulation of the p-process in the course of an SN-IIa core-collapse event reveals that, within the scenario being considered, a dominant effect of multiparticle photonuclear reactions consists in enhancing the rate of photodisintegration of p-nuclides at temperatures above 6 to 7 GK.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Blockchain-based fault tolerant grid operations system

To maintain/improve the distribution system fault-tolerance for a grid with high penetration of distributed energy resources requires improvement, Blockchain can add value to improve fault-tolerant grid operations. That can be achieved using blockchain's core features of distributed consensus-based decision-making process and immutability.

Bereta dos Reis, Fernando↗
DOE OSTI2021

It begins - digitizing the Rocky Flats Collection

From 1952 to 1989, the Rocky Flats Plant near Golden, Colorado, manufactured plutonium cores - the nuclear weapon pits that still exist in the nation’s nuclear weapons stockpile. Not only did Rocky Flats personnel produce these plutonium cores, they also documented every facet of this highly technical process. Moreover, Rocky Flats was a premier center for actinide research and development, with these data as relevant today as they were yesterday

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2021

Blockchain for Fault-Tolerant Grid Operations

Distribution system fault/failure has a direct impact on customers. Distribution systems are not designed with the contingency of one or more elements failing as the transmission system, however, distribution systems are more likely to have faults in comparison to transmission and generation systems. Most of the distribution systems have a radial design with the protection system assumption of unidirectional power flow. The radial design results in the disconnection of customers for any given component failure. The rapid deployment of distributed energy resources conflicts with the assumption of unidirectional power flow. To maintain/improve the distribution system fault tolerance for a grid with high penetration of distributed energy resources requires improvement. Blockchain can add value to improve fault-tolerant grid operations. That can be achieved using blockchain’s core features of distributed consensus-based decision-making process and immutability. In the process of preparing for an event or system restoration, there is a need for reliable data and system situational awareness. The system situational awareness enables accurate planning for possible scenarios and system restoration after an event, an area where blockchain’s distributed architecture can help. The value of blockchain for a fault-tolerant grid operation is elaborated with three use cases: 1) fault location, isolation, and service restoration; 2) topology identification; and 3) data configuration. These use cases demonstrate how blockchain-based architecture can facilitate bridging the vulnerabilities of the existing implementation.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Blockchain for Fault-Tolerant Grid Operations

Radial topology and vast geographic coverage make distribution systems prone to widespread power outages upon the failure of a single (or multiple) upstream component. Fault-handling algorithms depend heavily on correct estimations of the system’s state to effectively isolate the affected area and reduce the number of affected customers while maintaining operational safety. The work described here leverages the core features of distributed, consensus-based decision-making processes and the immutability of blockchain, and demonstrates their value in improving fault-tolerant grid operations. In this work, blockchain was used to create a trusted data-sharing platform that enables independent actors to reconstruct the system state; this enables distributed resources to make intelligent decisions with limited knowledge. Although the process requires data sharing, its algorithms have been designed to limit the amount of private information that is exchanged, which helps preserve business-sensitive data and maintain customer privacy. In addition, by reducing the information that must be shared, the communication requirements are also reduced; (however, an in-depth analysis of the communication requirements is beyond the scope of this project). The proposed use cases are intended to represent a foundational basis for third parties to develop functional solutions that can eventually be deployed in the field. To further provide guidance, the envisioned use cases have incorporated design requirements that consider the blockchain characteristics and a need to limit information from surrounding resources, which preserve the assumption and the possibility that such resources could belong to different entities. This report presents a detailed design of the three use cases with the tools needed to enable the analysis being tested. The implemented gross error detection method can detect mismatches when the error exceeds 3.8 times the sensor’s rated accuracy. Detection of the circuit breaker state successfully identified the correct states across all simulation tests. A distribution-system power-flow solution in the simulator OpenDSS generally possesses a convergency tolerance of 0.01% on the voltage magnitude. The evaluation of possible reconnection using voltage magnitude—preserving the data ownership—has a voltage magnitude difference smaller than 0.001% from the OpenDSS result. The results preserving data ownership have a difference within the expected power flow tolerance with full knowledge of the system, which surpasses expectations.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Timeouts Best Practices

This study investigates common timeouts encountered in the electric vehicle (EV) charging communications process. Many different timeouts are defined within the EV charging communications protocols. These timeouts can either be a fixed value or a defined range of values. In both cases, the timeout defines the duration of time for which one or both parties in the communications session are expected to wait for some action or process to complete before terminating the charge attempt. These timeout-based terminations are intended to prevent the charging process from becoming stuck indefinitely in any particular step. These terminations also enable a retry of the terminated charging session to begin. However, misaligned timeout values can have a significant negative impact on the user experience. Premature termination of charging sessions due to inappropriate timeout settings can lead to charging failures, causing inconvenience, wasted time, and frustration for users. These disruptions can degrade the overall user experience, making it essential to carefully manage and align timeout values with the relevant actions and processes to ensure reliable and satisfactory EV charging sessions. The core objective of this study is to boost reliability and enhance user experience by conducting a thorough review of timeout-based issues in EV charging and delivering a set of recommendations to modify these existing timeouts. These recommendations are informed by feedback gathered from multiple EV charging partners. This document is intended to inform electric vehicle supply equipment (EVSE) and EV manufacturers, EV charging infrastructure developers, and policymakers responsible for designing and implementing EV charging protocols and systems.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2018

The Future of Software and Computing for HEP: Pushing the Boundaries of the Possible

The nature of computing is changing. Driven by the solid state physics of CPU technology, industry is moving to multi-core systems with less memory, power, and memory bandwidth per core. The result is that the pleasantly parallel HEP event processing paradigm has to adjust to this new reality. New techniques such as machine learning and algorithms capable of exploiting vector processors, will be needed. Advances in instrumentation enabling fine-granularity high-precision measurements, have driven a data revolution. In this paper I will capture the needs, and where we are in addressing these data and compute challenges.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Relaxation mechanisms, structure and properties of semi-coherent interfaces

In this work, using the Cu–Ni (111) semi-coherent interface as a model system, we combine atomistic simulations and defect theory to reveal the relaxation mechanisms, structure, and properties of semi-coherent interfaces. By calculating the generalized stacking fault energy (GSFE) profile of the interface, two stable structures and a high-energy structure are located. During the relaxation, the regions that possess the stable structures expand and develop into coherent regions; the regions with high-energy structure shrink into the intersection of misfit dislocations (nodes). This process reduces the interface excess potential energy but increases the core energy of the misfit dislocations and nodes. The core width is dependent on the GSFE of the interface. The high-energy structure relaxes by relative rotation and dilatation between the crystals. The relative rotation is responsible for the spiral pattern at nodes. The relative dilatation is responsible for the creation of free volume at nodes, which facilitates the nodes’ structural transformation. Several node structures have been observed and analyzed. In conclusion, the various structures have significant impact on the plastic deformation in terms of lattice dislocation nucleation, as well as the point defect formation energies.

36 MATERIALS SCIENCE↗