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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

An Architectural Survey of the REECo Maintenance Compound, Area 6, Nevada National Security Site, Nye County, Nevada

The U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office (NNSA/NFO) plans to install a 26.45-mile-long 138-kilovolt (kV) transmission line on the Nevada National Security Site (NNSS) in Nye County, Nevada. This new transmission line will upgrade the electrical transmission system and provide reliable power between Mercury Switching Station in Area 23 and the U1a Facility in Area 1. The proposed upgrade to the power transmission system constitutes an undertaking subject to review under Section 106 of the National Historic Preservation Act (NHPA) (54 United States Code [USC] § 306101) and its implementing regulations, 36 Code of Federal Regulations (CFR) Part 800. A portion of this new transmission line will cross the western perimeter of the Reynolds Electrical and Engineering Company (REECo) Maintenance Compound located in Area 6 of the NNSS. This compound with its trade shops, storage sheds, and yards served as a general construction facility that supported nuclear testing activities on the NNSS from 1967 to 1992. Although three architectural resources in the compound have previously been recorded and evaluated for the National Register of Historic Places (NRHP), other resources within it have not, nor has the compound been recorded and evaluated as a potential district. The State Historic Preservation Officer (SHPO) concurred with NNSA/NFO’s determination that the unevaluated REECo Maintenance Compound will be adversely affected by the proposed undertaking (Reed 2021). The NNSA/NFO, in consultation with the SHPO, then developed the Memorandum of Agreement DE-GM58-22NA25553 between the U.S. Department of Energy and the Nevada State Historic Preservation Officer Regarding Installation of a 138-kilovolt Transmission Line from the Mercury Switching Station to the U1a Facility and the Removal of the Historic 138-kilovolt Transmission Line from the Mercury Switching Station to the U1a Facility in Areas 1, 3, 5, 6, and 23 of the Nevada National Security Site, Nye County, hereafter referred to as the MOA. This architectural survey report was prepared in accordance with MOA Stipulation III.B. It describes the origins, history, layout, and functions of the REECo Maintenance Compound during the Cold War and identifies contributing and noncontributing resources. The report defines a district boundary based on archival research and the field survey and concludes with an appendix that presents digital color images of the compound with descriptions and a map key showing image viewpoints and directions. Although none of the architectural resources are recommended individually eligible, the district evaluation concludes the REECo Maintenance Compound is eligible as a historic district for listing in the NRHP under the Secretary of the Interior’s Significance Criteria A and C at the local level. The historic district retains all seven aspects of integrity and conveys its significance under the abovementioned criteria.

138 kV↗
DOE OSTI2022

PTSFA QA Review of Container Procurements: Information Use Procedure

The purpose of this Packaging and Transportation Safety Functional Area (PTSFA) procedure is to describe the process in which the PTSFA Quality Assurance Engineer (QAE) or designee reviews and approves the documentation associated with the procurements of containers to be used for onsite transfer or off-site transportation of hazardous materials and waste.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Flavor Fragmentation Function Factorization

A definition of partonic jet flavor that is both theoretically well-defined and experimentally robust would have profound implications for measurements and predictions especially for heavy flavor applications. Recently, a definition of jet flavor was introduced as the net flavor flowing along the direction of the Winner-Take-All axis of a jet which is soft safe to all orders, but not collinear safe. Here, we exploit the lack of collinear safety and propose a factorization theorem of perturbative flavor fragmentation functions that resum collinear divergences and describe the evolution of flavor from the short distance of jet production to the long distance at which hadronization occurs. Collinear flavor evolution is governed by a small modification of the DGLAP equations. We present a detailed all-orders analysis and identify exact relations that must hold amongst the various anomalous dimensions by probability conservation and the existence of fixed points of the renormalization group flow. We explicitly validate the factorization theorem at one-loop order, and demonstrate its consistency at two loops in particular flavor channels. Starting at two-loops, constraints on phase space imposed by flavor measurements potentially allow for non-trivial soft contributions, but we demonstrate that they are scaleless and so explicitly vanish, ensuring that soft particles are summed inclusively and all divergences are exclusively collinear in nature. This factorization theorem opens the door to precision calculations with identified flavor in the infrared.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Clean Energy Cybersecurity Accelerator: Cohort 2 - runZero Public Report

The U.S. Department of Energy (DOE) Office of Cybersecurity, Energy Security, and Emergency Response (CESER) sponsors the Clean Energy Cybersecurity Accelerator™ (CECA) to expedite the deployment of emerging security technologies that address the most urgent security concerns facing modern and future electric grids. CECA Cohort 2 assessed solutions focused on hidden risks due to incomplete system visibility and device security and configuration. Improving visibility can be achieved through operational technology (OT) asset identification solutions, including capabilities like automatic discovery, vulnerability reporting, and configuration monitoring. Solutions that monitor and identify assets in information technology (IT) networks in other domains are widely used; however, there is far less adoption of monitoring solutions for operational technology environments. Wider adoption may increase with increased confidence in the ability for these solutions to understand and respond to the specific requirements of OT environments. CECA Cohort 2 evaluated the active and passive asset discovery capabilities of market-ready solutions, documented and analyzed results, and identified gaps in functionality or capabilities. This report and describes how these results can help advance the adoption of these and similar solutions in the electric sector.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Clean Energy Cybersecurity Accelerator: Cohort 2 - Asimily Public Report

The U.S. Department of Energy (DOE) Office of Cybersecurity, Energy Security, and Emergency Response (CESER) sponsors the Clean Energy Cybersecurity Accelerator (TM) (CECA) to expedite the deployment of emerging security technologies that address the most urgent security concerns facing modern and future electric grids. CECA Cohort 2 assessed solutions focused on hidden risks due to incomplete system visibility and device security and configuration. Improving visibility can be achieved through operational technology (OT) asset identification solutions, including capabilities like automatic discovery, vulnerability reporting, and configuration monitoring. Solutions that monitor and identify assets in information technology (IT) networks in other domains are widely used; however, there is far less adoption of monitoring solutions for operational technology environments. Wider adoption may increase with increased confidence in the ability for these solutions to understand and respond to the specific requirements of OT environments. CECA Cohort 2 evaluated the active and passive asset discovery capabilities of market-ready solutions, documented and analyzed results, and identified gaps in functionality or capabilities. This report and describes how these results can help advance the adoption of these and similar solutions in the electric sector.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

A pedagogical derivation of dynamical susceptibilities

Dynamical two-particle susceptibilites are important for a wide range of different experiments in condensed-matter physics and beyond. Nevertheless, most textbooks avoid describing how to derive such response functions, perhaps because they are viewed as too complex. In the literature, most derivations work with generalized susceptibilities, which are more general, but require an even higher layer of complexity. In this work, we show a more direct derivation in the context of model Hamiltonians which can be mapped directly onto an impurity model. We also present an alternative derivation for the irreducible vertex in the context of the Falicov-Kimball model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

The dependence of divertor power sharing on magnetic flux balance in near double-null configurations on Alcator C-Mod

Management of power exhaust will be a crucial task for tokamak fusion reactors. Reactor concepts are often proposed with double-null divertors, i.e. having two magnetic separatrices in an up-down symmetric configuration. This arrangement is potentially advantageous since the majority of the tokamak exhaust power tends to flow to the outer pair of divertor legs at large major radius, where the geometry is favorable for spreading the heat over a large surface area and there is more room for advanced divertor configurations. Despite the importance, there have been relatively few studies of divertor power sharing in near double null configurations and no studies at the poloidal magnetic fields and scrape-off layer power widths anticipated for a reactor. Motivated by this need we have undertaken a systematic study on Alcator C-Mod, examining the effect of magnetic flux balance on the power sharing among the four divertor legs in near double-null plasmas. Ohmic L-modes at three values of plasma current and ICRF-heated enhanced D-alpha (EDA) H-modes and I-modes at a single value of plasma current are explored, producing poloidal magnetic fields of 0.42, 0.62 and 0.85 Tesla. For Ohmic L-modes and ICRF-heated EDA H-modes, we find that the point of equal power sharing between upper and lower divertors occurs remarkably close to a balanced double null. Power sharing amongst the outer (upper versus lower) and inner (upper versus lower) pairs of divertors can be described in terms of a logistic function of magnetic flux balance, consistent with heat flux mapping along magnetic field lines to the outer midplane. Power sharing between inner and outer legs is found to follow a Gaussian-like function of magnetic flux balance with non-zero power to the inner divertors at double null. The overall behavior of H-modes operated near double null and for I-modes operating to within one heat flux e-folding of double null are found similar to Ohmic L-modes, with a significant reduction of power on the inner divertor legs. The results are encapsulated in terms of empirically-informed analytic functions of magnetic flux balance. When combined with magnetic equilibrium control system specifications, these relationships can be used to specify the power flux handling requirements for each of the four divertor target plates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Rapid and continuous analyte processing in droplet microfluidic devices

The compositions and methods described herein are designed to introduce functionalized microparticles into droplets that can be manipulated in microfluidic devices by fields, including electric (dielectrophoretic) or magnetic fields, and extracted by splitting a droplet to separate the portion of the droplet that contains the majority of the microparticles from the part that is largely devoid of the microparticles. Within the device, channels are variously configured at Y- or T junctions that facilitate continuous, serial isolation and dilution of analytes in solution. The devices can be limited in the sense that they can be designed to output purified analytes that are then further analyzed in separate machines or they can include additional channels through which purified analytes can be further processed and analyzed.

Strey, Helmut↗
DOE OSTI2019

Minimized cyanobacterial microcompartment for carbon dioxide fixation

A fusion chimeric protein is described herein that can assemble a functional carboxysome core, which is able to fix carbon by taking atmospheric carbon dioxide and converting it into useful carbon-containing compounds such as 3-phosphoglycerate (3-PGA).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Hydrophilic, light active coating for membranes

A porous membrane provides enhanced filtration of pollutants and particles by coating the membrane with conformal thin films of doped titanium dioxide via atomic layer deposition or, alternatively, sequential infiltration synthesis. The membrane can either be organic or inorganic, and the doping of the membrane, usually with nitrogen, is an important feature that shifts the optical absorption of the TiO2 from the UV range into the visible-light range. This enables the use of lower energy light, including sunlight, to activate the photocatalytic function of the film. The coating described in the present invention is compatible with virtually any porous membrane and allows for precise tuning of the pore size with molecular precision. The present invention presents a new coating process and chemical structure that provides catalytic activity, strongly enhanced by light, to both mitigate fouling and break down various organic pollutants in the process stream.

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

Seismic detection switch

A seismic switch (SS) that is able to detect and signal when internal faults have occurred within the SS is described. The SS provides safety class functionality to the detection of seismic activity. For example, the SS may detect earthquakes above a specified level, resulting in the disconnection of electrical power to a radioactive waste storage facility, which could result in the ignition of waste materials should the storage facility and/or storage container fail during a seismic event. By reducing the risk of fire under these circumstances, the possibility of offsite releases is significantly reduced.

Hayward, Allen D.↗
DOE OSTI2025

Likelihood-Based Particle Identification in the Short-Baseline Near Detector

Accurate particle identification is crucial in any high-energy physics experiment, allowing scientists to understand the unique interactions and mechanisms at play in a detector. In this project, I develop and study a new particle identification (PID) algorithm for the Short-Baseline Near Detector, a likelihood-based approach, different from out current $\chi^2$ method. A likelihood estimation offers a more physically motivated strategy for PID. The distribution random energy losses of charged particles traveling through a medium are described by the Vavilov probability density function. By using this model, we can account for random energy losses and construct likelihood functions specific to each particle type, potentially enabling a more accurate method for PID.

Vanderwaal, Sophia [U. Alabama, Huntsville] (ORCID↗
DOE OSTI2023

Multipole Expansion of Atomic Electron Density Fluctuation Interactions in the Density-Functional Tight-Binding Method

The accuracy of the density-functional tight-binding (DFTB) method in describing noncovalent interactions is limited due to its reliance on monopole-based spherical charge densities. In this study, we present a multipole-extended second-order DFTB (mDFTB2) method that takes into account atomic dipole and quadrupole interactions. Furthermore, we combine the multipole expansion with the monopole-based third-order contribution, resulting in the mDFTB3 method. To assess the accuracy of mDFTB2 and mDFTB3, we evaluate their performance in describing noncovalent interactions, proton transfer barriers, and dipole moments. Here, our benchmark results show promising improvements even when using the existing electronic parameters optimized for the original DFTB3 model. Both mDFTB2 and mDFTB3 outperform their monopole-based counterparts, DFTB2 and DFTB3, in terms of accuracy. While mDFTB2 and mDFTB3 perform comparably for neutral and positively charged systems, mDFTB3 exhibits superior performance over mDFTB2 when dealing with negatively charged systems and proton transfers. Overall, the incorporation of the multipole expansion significantly enhances the accuracy of the DFTB method in describing noncovalent interactions and proton transfers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Performance of Diffusion Monte Carlo Calculations for Predicting the Relative Energies of Quinoidal and Nonquinoidal Species

Coupled cluster singles and doubles with perturbative triples [CCSD(T)] and single determinant fixed-node diffusion Monte Carlo (SD-DMC) have emerged as two of the most useful methods for providing benchmark reaction and interaction energies of chemical systems without strong static correlation. The errors in DMC energies are dominated by an inexact description of the nodal surfaces for electron exchange. One of the main approaches to addressing the fixed-node error is to use multideterminant (MD) trial wave functions. We consider here the energy differences between pairs of related molecules with aromatic and quinoidal structures as well as between quinoidal isomers. Quinoidal systems tend to have some diradical character, leading one to anticipate that SD-DMC calculations may face challenges in accurately describing their energetics. The MD trial wave functions were generated from the complete active space calculations. A comparison is made with the predictions of well-converged CCSD(T) calculations.

basis sets↗
DOE OSTI2021

Cluster Configuration Spaces of Finite Type

For each Dynkin diagram $D$, we define a ''cluster configuration space'' ${\mathcal{M}}_D$ and a partial compactification ${\widetilde {\mathcal{M}}}_D$. For $D = A_{n-3}$, we have ${\mathcal{M}}_{A_{n-3}} = {\mathcal{M}}_{0,n}$, the configuration space of $n$ points on ${\mathbb P}^1$, and the partial compactification ${\widetilde {\mathcal{M}}}_{A_{n-3}}$ was studied in this case by Brown. The space ${\widetilde {\mathcal{M}}}_D$ is a smooth affine algebraic variety with a stratification in bijection with the faces of the Chapoton-Fomin-Zelevinsky generalized associahedron. The regular functions on ${\widetilde {\mathcal{M}}}_D$ are generated by coordinates $u_\gamma$, in bijection with the cluster variables of type $D$, and the relations are described completely in terms of the compatibility degree function of the cluster algebra. As an application, we define and study cluster algebra analogues of tree-level open string amplitudes.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

The highly exothermic hydrogen abstraction reaction H 2 Te + OH → H 2 O + TeH: comparison with analogous reactions for H 2 Se and H 2 S

The “gold standard” CCSD(T) method is adopted along with the correlation consistent basis sets up to aug-cc-pV5Z-PP to study the mechanism of the hydrogen abstraction reaction H 2 Te + OH. Here, the predicted geometries and vibrational frequencies for reactants and products are in good agreement with the available experimental results. With the ZPVE corrections, the transition state in the favorable pathway of this reaction energetically lies 1.2 kcal mol -1 below the reactants, which is lower than the analogous relative energies for the H 2 Se + OH reaction (-0.7 kcal mol -1 ), the H 2 S + OH reaction (+0.8 kcal mol -1 ) and the H 2 O + OH reaction (+9.0 kcal mol -1 ). Accordingly, the exothermic reaction energies for these related reactions are predicted to be 47.8 (H 2 Te), 37.7 (H 2 Se), 27.1 (H 2 S), and 0.0 (H 2 O) kcal mol -1 , respectively. Geometrically, the low-lying reactant complexes for H 2 Te + OH and H 2 Se + OH are two-center three-electron hemibonded structures, whereas those for H 2 S + OH and H 2 O + OH are hydrogen-bonded. With ZPVE and spin–orbit coupling corrections, the relative energies for the reactant complex, transition state, product complex, and the products for the H 2 Te + OH reaction are estimated to be -13.1, -1.0, -52.0, and -52.6 kcal mol -1 , respectively. Finally, twenty-eight DFT functionals have been tested systematically to assess their ability in describing the potential energy surface of the H 2 Te + OH reaction. The best of these functionals for the corresponding energetics are -9.9, -1.4, -46.4, and -45.4 kcal mol -1 (MPWB1K), or -13.1, -2.4, -57.1, and -54.6 kcal mol -1 (M06-2X), respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Open library of g-functions for 34,321 configurations

Thermal response functions, known as g-functions, are commonly used in ground heat exchanger design tools and whole building energy simulation programs to simulate the ground heat exchanger performance. Calculation of g-functions can be quite computationally time-consuming, particularly as the number of boreholes gets large. However, once the g-function is computed, the actual simulation time can be quite short, particularly if a hybrid time-step (Cullin and Spitler 2011) approach is used. Because of this, pre-computed g-function libraries are commonly used in design tools and building simulation tools. This paper describes development of a new, publicly available library containing g-functions for 34,321 borehole field configurations; for each configuration, gfunctions are provided for 5 depths to allow interpolation between different borehole-to-height ratios. The available configurations include configurations in standard shapes: lines, rectangles, open rectangles, L-shapes, and U-shapes. It also includes new configurations: C-shapes, lopsided-U-shapes, and zoned rectangles, which are rectangular configurations with different interior and perimeter spacing of the boreholes.

Spitler, Jeffery↗