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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 1,189 records · Page 66

All sources NASA NTRS DOE OSTI

DOE OSTI2023

A large area 100-channel PICOSEC Micromegas detector with time resolution at the 20 ps level

Abstract The PICOSEC Micromegas precise timing detector is based on a Cherenkov radiator coupled to a photocathode operating in a semi-transparent mode and a Micromegas amplification structure. The first proof of concept single-channel prototype was able to achieve a time resolution below 25 ps. One of the crucial aspects in the development of precise timing gaseous detectors applicable in high-energy physics experiments is a modular design that enables large area coverage. The first 19-channel multi-pad prototype with an active area of approximately 10 cm 2 suffered from degraded timing resolution due to the non-uniformity of the preamplification gap thickness. A new 100 cm 2 detector module with 100 channels based on a rigid hybrid ceramic/FR4 Micromegas board for improved drift gap uniformity was developed. Initial measurements with 80 GeV/c muons showed improvements in timing response over the measured pads and a time resolution below 25 ps. More recent measurements with a thinner drift gap detector module and newly developed RF pulse amplifiers show that the pad centre resolution can be enhanced to the level of 17 ps. This work will present the development of the detector from structural simulations, design, and beam test commissioning with a focus on the timing performance of a thinner drift gap detector module in combination with new electronics using an automated timing scan method.

Utrobicic, A.↗

DOE OSTI2020

Operando Tailoring of Defects and Strains in Corrugated β-Ni(OH) 2 Nanosheets for Stable and High-Rate Energy Storage

Nickel hydroxide represents a technologically important material for energy storage, such as hybrid supercapacitors. It has two different crystallographic polymorphs, α- and β-Ni(OH) 2 , showing advantages in either theoretical capacity or cycling/rate performance, manifesting a trade-off trend that needs to be optimized for practical applications. In this work, the synergistic superiorities in both activity and stability of corrugated β-Ni(OH) 2 nanosheets are demonstrated through an electrochemical abuse approach. With ≈91% capacity retention after 10 000 cycles, the corrugated β-Ni(OH) 2 nanosheets can deliver a gravimetric capacity of 457 C g -1 at a high current density of 30 A g -1 , which is nearly two and four times that of the regular α- and β-Ni(OH) 2 , respectively. Operando spectroscopy and finite element analysis reveal that greatly enhanced chemical activity and structural robustness can be attributed to the in situ tailored lattice defects and the strain-induced highly curved micromorphology. This work demonstrates a multi-scale defect-and-strain co-design strategy, which is helpful for rational design and tuned fabrication of next-generation electrode materials for stable and high-rate energy storage.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Electronic Structure of Metallophthalocyanines, MPc (M = Fe, Co, Ni, Cu, Zn, Mg) and Fluorinated MPc

In this work, we compute the electronic structure and optical excitation energies of metal-free and transition-metal phthalocyanines (H2Pc and MPc for M = Fe, Co, Ni, Cu, Zn, Mg) using density functional theory with optimally tuned range-separated hybrid functionals (OT-RSH). We show that the OT-RSH approach provides photoemission spectra in quantitative agreement with experiments as well as optical band gaps within 10% of their experimental values, capturing the interplay of localized d-states and delocalized pi-pi* states for these organometallic compounds. We examine the tunability of MPcs and H 2 Pc through fluorination, resulting in quasi-rigid shifts of the molecular orbital energies by up to 0.7 eV. Our comprehensive data set provides a new computational benchmark for gas-phase phthalocyanines, significantly improving upon other density-functional-theory-based approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures

The discovery and design of biologically important RNA molecules is outpacing three-dimensional structural characterization. In this work, we demonstrate that cryo-electron microscopy can routinely resolve maps of RNA-only systems and that these maps enable subnanometer-resolution coordinate estimation when complemented with multidimensional chemical mapping and Rosetta DRRAFTER computational modeling. Furthermore ,this hybrid ‘Ribosolve’ pipeline detects and falsifies homologies and conformational rearrangements in 11 previously unknown 119- to 338-nucleotide protein-free RNA structures: full-length Tetrahymena ribozyme, hc16 ligase with and without substrate, full-length Vibrio cholerae and Fusobacterium nucleatum glycine riboswitch aptamers with and without glycine, Mycobacterium SAM-IV riboswitch with and without S-adenosylmethionine, and the computer-designed ATP-TTR-3 aptamer with and without AMP. Simulation benchmarks, blind challenges, compensatory mutagenesis, cross-RNA homologies and internal controls demonstrate that Ribosolve can accurately resolve the global architectures of RNA molecules but does not resolve atomic details. These tests offer guidelines for making inferences in future RNA structural studies with similarly accelerated throughput.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Photophysical properties of zero-dimensional perovskites studied by PBE0 and GW+BSE methods

Due to the exceptional photophysical properties and great potential applications in solid state lighting, zero-dimensional halide perovskites with broadband emitting have recently attracted much attention. In this work, to reveal the origin of the broadband absorption and emission spectra of 0D (C 4 N 2 H 14 Br) 4 SnBr x I 6-x (x = 3), the ground state and exciton dynamics properties have been studied by hybrid PBE0 functional and the GW+BSE method. Different self-trapped excitons (STEs) are obtained, and their emission energies by PBE0 are consistent well with experimental data. By considering the vibrational broadening of emission, our calculated full width at half maximum of emission accords well with the experiment. The absorption of free exciton and STEs is also calculated by considering the quasiparticle and excitonic effect. Our results show that these light-induced trapped states can be observed by experiments, as confirmed in other similar systems by the femtosecond transient absorption spectra.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

WEST actively cooled load resilient ion cyclotron resonance heating system results

Three identical new WEST ion cyclotron resonance heating (ICRH) antennas have been designed, assembled then commissioned on plasma from 2013 to 2019. The WEST ICRH system is both load-resilient and compatible with long-pulse operations. The three antennas have been successfully operated together on plasma in 2019 and 2020, with up to 5.8 MW of coupled power. In this work, the load resilience capability has been demonstrated and the antenna feedback controls for phase and matching have been developed. The breakdown detection systems have been validated and successfully protected the antennas. The use of ICRH in combination with lower hybrid has triggered the first high confinement mode transitions identified on WEST.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Secondary neutron production from thick target deuteron breakup

Thick target deuteron breakup is a variable-energy accelerator-based source of high-energy neutrons, with applications in fundamental and applied nuclear science and engineering. However, the breakup mechanism remains poorly understood, and data on neutron yields from thick target breakup remain relatively scarce. In this work, the double-differential neutron yields from deuteron breakup have been measured on a thick beryllium target at ϵ d = 33 and 40 MeV, using both time-of-flight and activation techniques. We have also introduced a simple hybrid model for the double-differential deuteron breakup cross section, applicable in the ϵ d = 10-100 MeV energy range on light (Z ≤ 6) targets. This model features four empirical parameters that have been fit to reproduce experimental breakup measurements on beryllium targets, using the method of least squares. It was shown that these parameters extrapolate well to higher energies, and to other low-Z target materials. Here, we also include optimization of the parameters that modify the Kalbach systematics for compound and preequilibrium reactions, in order to better reproduce the experimental data for beryllium targets at large angles.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Evaluation of Real-Time Mitigation Techniques forCyber Security in IEC 61850 / IEC 62351Substations

This paper presents the design logic and implementation aspects of three potential real-time mitigation techniques capable of countering GOOSE-based attacks: (i) IEC 62351-compliant message authentication code (MAC) scheme, (ii) a semantics-enforced rule- based intrusion detection system (IDS), and (iii) a hybrid approach integrating both MAC verification and Intrusion Detection System (IDS). A comparative evaluation of these real-time mitigation approaches is conducted using a cyber-physical system(CPS) security testbed. The results show that the hybrid integration significantly enhances mitigation capability. Furthermore, the processing delays of all three methods remain within the strict delivery requirements of GOOSE communication. The study also identifies limitations that none of the techniques can fully address, highlighting areas for future work.

Liu, Chen-Ching [Virginia Polytechnic Inst. and St↗

DOE OSTI2025

Ensemble-Based Characterization of Historical Storm Types in ERA5 over CONUS

We present Storm-Type Labeled Precipitation, a gridded dataset that classifies ERA5 precipitation over CONUS (20–50° N, 125–66° W) by storm type at 6-hourly resolution. Each grid cell/time step is assigned to one of five classes—mesoscale convective system (MCS), extratropical cyclone (ETC), hurricane (HUR), atmospheric river (AR), or other convective, with an “unidentified” code reserved for cases with no detected type. Two products are provided: (i) a TempestExtremes (TE)–only version, and (ii) a hybrid TRACK–TE version that uses TRACK for ETCs and HURs and TE for MCSs and ARs. Outputs are integer masks aligned to ERA5 precipitation, supporting storm-type attribution of rainfall, event compositing, trend analysis, and model evaluation. Future work will extend detection to high-resolution downscaled Earth system model projections to support evaluations of projected changes in hydrologic hazards that may threaten critical water and energy infrastructures.

Rastogi, Deeksha [ORNL] (ORCID:0000000204624027)↗

NASA NTRS1987

Substorm-associated lower hybrid waves in the plasma sheet observed by ISEE 1

Observations of the electric field at frequencies from 2-128 Hz, using the burst mode of the spherical double probe on ISEE 1, have been examined for a time period previously identified as containing the traversal of a near-earth neutral line past the satellite. Intense waves (3 to over 30 mV/m) at approximately half the lower hybrid frequency were observed throughout the plasma sheet from the neutral sheet to the boundary, but only during the period of the large dc electric field and E x B velocity associated with the substorm neutral line. The wave number deduced from linear fits of the data was comparable to the inverse electron gyroradius. These results are consistent with the lower-hybrid drift instability. Although peaks between the ion and electron plasma frequency were sometimes observed simultaneously, the integrated power below 100 Hz was usually at least one to two orders of magnitude greater than that above 100 Hz. Although theoretical work has suggested that the instability would be suppressed at the neutral sheet, the largest waves observed occurred right at the neutral sheet when the southward component of the magnetic field was 6 gamma. The observed waves could provide an anomalous resistivity of about (3-1000) x 10 to the -7th S (compared to the classical value of 1 x 10 to the -18th S).

Cattell, C. A.↗

NASA NTRS2001

Large-mutation spectra induced at hemizygous loci by low-LET radiation: evidence for intrachromosomal proximity effects

A mathematical model is used to analyze mutant spectra for large mutations induced by low-LET radiation. The model equations are based mainly on two-break misrejoining that leads to deletions or translocations. It is assumed, as a working hypothesis, that the initial damage induced by low-LET radiation is located randomly in the genome. Specifically, we analyzed data for two hemizygous loci: CD59- mutants, mainly very large-scale deletions (>3 Mbp), in human-hamster hybrid cells, and data from the literature on those HPRT- mutants which involve at least deletion of the whole gene, and often of additional flanking markers (approximately 50-kbp to approximately 4.4-Mbp deletions). For five data sets, we estimated f, the probability that two given breaks on the same chromosome will misrejoin to make a deletion, as a function of the separation between the breaks. We found that f is larger for nearby breaks than for breaks that are more widely separated; i.e., there is a "proximity effect". For acute irradiation, the values of f determined from the data are consistent with the corresponding break misrejoining parameters found previously in quantitative modeling of chromosome aberrations. The value of f was somewhat smaller for protracted irradiation than for acute irradiation at a given total dose; i.e., the mutation data show a decrease that was smaller than expected for dose protraction by fractionation or low dose rate.

Non-NASA Center↗

DOE OSTI2023

Thermal Extraction and Delivery from Advanced Reactor Systems

This document presents preliminary thermodynamic analysis of thermal extraction and delivery from advanced nuclear reactors. Light-water, high temperature gas, sodium fast, and molten salt reactors are templated and analyzed for thermal extraction from nominal steam production conditions. Uncontrolled, controlled, and partial admission steam extraction methods are described and analyzed to show the differences in system impact from the various methods. Thermal delivery modeling results show comparisons that have become possible through the computational capabilities of the thermal delivery model. Due to the significant degrees of freedom of the problem, specific cases are used to compare the thermodynamic costs of heat transport using various heat transfer fluids. All this work is done using Modelica models, allowing for the future application of models in dynamic analyses beyond the steady-state calculations presented in this report. Appendices describe additional capabilities and methods that can help users analyze complex problems using HYBRID models developed in Modelica.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2017

Characterization, Operation and Analysis of Test Motors Containing Aluminized Hybrid Fuels

NASA Marshall Space Flight Center's Materials and Processes Department, with support from the Propulsion Systems Department, has renewed the development and maintenance of a hybrid test bed for exposing ablative thermal protection materials to an environment similar to that seen in solid rocket motors (SRM). The Solid Fuel Torch (SFT), operated during the Space Shuttle program, utilized gaseous oxygen for oxidizer and an aluminized hydroxyl-terminated polybutadiene (HTPB) fuel grain to expose a converging section of phenolic material to a 400 psi, 2-phase flow combustion environment. The configuration allows for up to a 2 foot long, 5 inch diameter fuel grain cartridge. Wanting to now test rubber insulation materials with a turn-back feature to mimic the geometry of an aft dome being impinged by alumina particles, the throat area has now been increased by several times to afford flow similarity. Combined with the desire to maintain a higher operating pressure, the oxidizer flow rate is being increased by a factor of 10. Out of these changes has arisen the need to characterize the fuel/oxidizer combination in a higher mass flux condition than has been previously tested at MSFC, and at which the literature has little to no reporting as well. Testing for fuel regression rate comprised a two-level, full factorial design available over Aluminum loading level, mass flow rate, pressure, and diameter. The data taken significantly surpasses the previous available data on regression rate of aluminized HTPB fuel burning with gaseous oxygen. It encompasses higher mass fluxes, and appears to generate more consistent data. The good test article and facility design and testing work of the Penn State HPCL combined with careful analysis of the data and good planning has made this possible. This should be able to assist with developing rate laws that are useful both for research planning and for developing flight system sizing relationships that can help optimize hybrid rocket concepts for trade studies. The successful approach of this DOE and test setup is applicable to other propellant combinations as well.

Kibbey, Timothy P.↗

NASA NTRS2017

Characterization, Operation and Analysis of Test Motors Containing Aluminized Hybrid Fuels

Kibbey, Timothy P.↗

DOE OSTI2022

Morphological Ordering of the Organic Layer for High-Performance Hybrid Thermoelectrics

Inorganic-organic hybrids, such as Te-PEDOT:PSS core/shell nanowires, have emerged as a class of promising thermoelectric materials with combined attributes of mechanical flexibility and low cost. However, the poorly understood structure-property relationship calls for further investigation for performance enhancement. Here, through precise treatments of focused electron beam irradiation and thermal annealing on individual Te-PEDOT:PSS nanowires, new, nonchemical mechanisms are introduced to specifically engineer the organic phase, and the measured results provide an unprecedented piece of evidence, confirming the dominant role of organic shell in charge transport. Paired with the Kang-Snyder model and molecular dynamics simulations, this work provides mechanistic insights in terms of heating-enabled morphological ordering of the polymer chains. The measured results show that thermal annealing on the 42 nm nanowire results in a ZT value of 0.78 at 450 K. In conclusion, through leveraging the interfacial self-assembly of the organic phase to construct a high electrical conductivity domain, this work lays out a clear framework for the development of next-generation soft thermoelectrics.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Impact of Hybrid Energy Storage System (HESS) Topologies on Performance: Exploration for Hydropower Hybrids

We investigate the technical performance of six HESS topologies integrated with run-of-river (ROR) hydropower to provide frequency support. We choose ROR hydropower because there are 23 GW of installed ROR hydropower in the U.S. and integrating these plants with energy storage could boost their contribution to grid services. We focus on HESSs composed of batteries and ultracapacitors because batteries are cost effective for storing energy but degrade more quickly as a function of cycling. In contrast, ultracapacitors can be cycled millions of times and are cost effective for quick injections of power. We find that active HESS topologies demonstrate the best overall improvement to grid frequency during a contingency while adhering to the power ramping limits of the HESS devices. Future work will investigate other services to identify if one HESS topology performs best for all services of interest or, more likely, different HESS topologies are best suited for specific services.

13 HYDRO ENERGY↗

DOE OSTI2026

Advancing density functional tight-binding method for large organic molecules through equivariant neural networks

Semi-empirical quantum-mechanical (QM) methods have become valuable tools for studying complex (bio)molecular systems due to their balance between computational efficiency and accuracy. A key aspect of these methods is their parameterization, which not only governs the reliability of the results but also provides an opportunity to enhance their overall performance. In our previous work [J. Phys. Chem. Lett., 2021, 11, 16], we advanced the third-order semi-empirical density functional tight-binding (DFTB3) method for computing multiple properties of small molecules by developing the machine learning (ML) potential NN rep to bridge the gap between DFTB3 electronic components and those of the hybrid DFT-PBE0 functional. To overcome the limitations of NN rep , we introduce the EquiDTB framework, which leverages physics-inspired equivariant neural networks (NN) to parameterize scalable and transferable many-body Δ TB potentials, replacing the standard pairwise DFTB repulsive potential. This advancement extends the applicability of our ML-corrected DFTB approach to larger molecules and non-covalent systems (including only C, N, O, and H atoms), going beyond the chemical space represented in the training QM datasets. The enhanced performance of EquiDTB over the standard TB methods is demonstrated by the accurate computation of the atomic forces of S66x8 molecular dimers, as well as their interaction energies. Moreover, EquiDTB can be effectively employed to explore the potential energy surfaces of large and flexible drug-like molecules—for example, to determine the minimum energy path between isomers, analyze structural transitions during dynamical simulations, compute vibrational modes, and investigate energetic rankings. The performance for single molecules slightly decreases when the DFTB electronic energy is reduced to first-order but remains superior to standard TB methods. Our work thus demonstrates that an optimal integration of an equivariant NN with QM datasets can advance the DFTB method while maintaining high efficiency, paving the way for reliable (bio)molecular simulations.

Medrano Sandonas, Leonardo [Technische Universität↗

DOE OSTI2021

A Generic Two-Vector Model Predictive Control for Hybrid Multilevel Converters

In this article, a generic two-vector model predictive control (TV-MPC) strategy is proposed for the hybrid multilevel converters (HMCs). The proposed method selects two optimal voltage vectors among all the vector candidates using a geometric positioning approach to reduce the computational burden, which is a common issue in the existing MPC methods for HMC. Then duty cycles of the two selected vectors are optimized to minimize the current tracking error, such that the current tracking performance can be enhanced compared with the conventional MPC. In addition, the voltages of the floating dc capacitors can be balanced by evaluating all switching sequences that belong to the optimal voltage vectors with optimal duty cycles. Here, the concept of the proposed TV-MPC is generic and applicable for any HMCs. A typical HMC based on active neutral-point-clamped topology is adopted as a case study in this work. Comprehensive simulation and experimental studies are performed on an all silicon-carbide HMC prototype to validate the effectiveness of the proposed control scheme.

42 ENGINEERING↗