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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Insertion reactions and structural studies of [(NHC)CuH] 2 with nitrogen-based substrates

The stoichiometric and catalytic reactions of Cu-H dimers supported by N-heterocyclic carbenes (NHCs) have mainly focused on the insertions of aldehydes, ketones, CO 2 , and unsaturated hydrocarbons. Here we investigated the stoichiometric reactions of dimeric [(NHC)CuH] 2 (NHC = IPr*, 6Dipp) with unsaturated nitrogen-based substrates of PhN=NPh, N 3 Ad, pyrazine, and N 2 O. The spectroscopic and structural chacterizations of the resulting monomeric, two-coordinate Cu(I) complexes containing diphenyl hydrazido, triazenido, pyrazinyl, and hydroxide ligands are discussed. The hydrazido complex of (IPr*)Cu(NPh-NHPh) and triazenido complex of (IPr*)Cu(HNNNAd) are resistant to N—N bond cleavage and loss of N 2 , respectively, to form the corresponding amido complexes even when heated at 80 °C over several hours.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Ring-Polymer Molecular Dynamics Rate Coefficient Calculations for Insertion Reactions: X + H 2 → HX + H (X = N, O)

The thermal rate constants of two prototypical insertion-type reactions, namely, N/O + H 2 → NH/OH + H, are investigated with ring polymer molecular dynamics (RPMD) on full-dimensional potential energy surfaces using recently developed RPMDrate code. It is shown that the unique ability of the RPMD approach among the existing theoretical methods to capture the quantum effects, e.g., tunneling and zero-point energy, as well as recrossing dynamics quantum mechanically with ring-polymer trajectories leads to excellent agreement with rigorous quantum dynamics calculations. Lastly, the present result is encouraging for future applications of the RPMD method and the RPMDrate code to complex-forming chemical reactions involving polyatomic reactants.

insertion reaction↗
DOE OSTI2020

KRUSTY Experiment: Reactivity Insertion Accident Analysis

The centerpiece of the Kilopower Project, i.e., the Kilowatt Reactor Using Stirling TechnologY (KRUSTY) test, consists of the development and testing of a ground technology demonstration of a small fission power system based on a 1-kW(electric) space science power requirement. The KRUSTY test was authorized by the U.S. Department of Energy’s (DOE’s) National Nuclear Security Administration Nevada Field Office. Authorization was obtained by adding an amendment to the existing regulatory documents for the National Criticality Experiments Research Center to cover the KRUSTY experiment. This amendment was reviewed and approved by the DOE. The most important safety question for the experiment was the addition of over 2 $ of excess reactivity to the reactor system. This amount of excess reactivity meant that the analyst could postulate accidents where the reactor went prompt critical, leading to physical shock or melting of the fuel. This paper analyzes these accidents using computer calculations and examines the controls used to mitigate them. The estimation of the impacts both on accident progression and consequences of reactivity insertion events was a significant part of obtaining approval for the KRUSTY experiment. The regulatory approval of KRUSTY was one of the first to be obtained for a completely new reactor concept in many decades.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

Low Insertion Loss and Highly Sensitive SH-SAW Sensors Based on 36° YX LiTaO 3 Through the Incorporation of Filled Microcavities

Reduction in power consumption and improvement in mass sensitivity are important considerations for surface acoustic wave (SAW) devices used in various sensing applications. Detection of minute quantities of a particular species (clinical sensing) and power requirements (wireless sensing) are two key metrics that must be optimized. In this paper, a 3-D finite element model (FEM) was employed to compare insertion loss (IL) and mass sensitivity of SAW sensors having microcavities filled with ZnO and nanocrystalline diamond to a standard two-port SAW design. Initial simulation results show that ZnO filled cavities (depth = 5 mu m) were most effective at reducing power loss Delta IL = (6.03 dB) by increasing particle displacement (acousto-electric to mechanical transduction) at the output transducer. A 100-pg/cm(2) load was applied to the sensing area of each device to evaluate mass sensitivity. Our simulations suggest that ZnO filled cavities with shallow depth (2.5 mu m) have the greatest sensitivity. The FEM simulations are used to understand the acoustic wave propagation in microcavity-based SAW sensors. The observed enhancement in mass sensitivity and power transfer is attributed to waveguiding effects and constructive interference of the scattered acoustic waves from the microcavities. Devices fabricated with microcavities similar to 1 mu m deep decreased IL by 3.306 dB compared with a standard SAW device. Additional simulations were conducted for each device configuration using the same depth in order to make a direct comparison between measured and simulated results. Our findings offer encouraging prospects for designing low IL highly sensitive microcavity-based SAW biosensors.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Manufacture and Quality Control of Insert Coil with Real ITER TF Conductor

JAEA successfully completed the manufacture of the toroidal field (TF) insert coil (TFIC) for a performance test of the ITER TF conductor in the final design in cooperation with Hitachi, Ltd. The TFIC is a single-layer 8.875-turn solenoid coil with 1.44-m diameter. This will be tested for 68-kA current application in a 13-T external magnetic field. TFIC was manufactured in the following order: winding of the TF conductor, lead bending, fabrication of the electrical termination, heat treatment, turn insulation, installation of the coil into the support mandrel structure, vacuum pressure impregnation (VPI), structure assembly, and instrumentation. Here in this presentation, manufacture process and quality control status for the TFIC manufacturing are reported.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

REBCO Insert Coils toward High-Field, Large-Bore Magnet for Quantum Physics Research

High-temperature superconducting (HTS) magnets offer a promising solution for generating high magnetic fields efficiently and economically, serving as a vital component in nextgeneration scientific instruments and carbon-neutral power systems, notably in cost-effective compact fusion reactors. These high magnetic fields play a pivotal role in advancing research on quantum materials, particularly in elucidating the intricate electronic states near magnetic phase transitions. Here, this paper delves into the research conducted at the Princeton Plasma Physics Laboratory, which is divided into three phases aimed at overcoming technical hurdles in creating large-bore, high-field HTS magnets for cutting-edge quantum physics research. In Phase 1, we designed, constructed, and tested a compact REBCO solenoidal magnet comprising six double-pancake coils featuring a 41.3-mm inner diameter and a 70.0-mm outer diameter. It adopts a no-insulation approach to ensure electrical and thermal stability. Successful testing in a saturated liquid nitrogen bath confirmed its capability to generate a 0.8-T field at 77 K and 2 T at 65 K, with ongoing integration into liquid helium testing. Building on this experience, Phase 2 involves the design of an HTS insert coil, intended to nest within a 12-T low-temperature superconducting (LTS) outsert to achieve a minimum of 20 T at 4.2 K. The focus of Phase 2 centers on addressing challenges posed by screening-current (SC) effects, particularly the associated stress/strain issues. Employing a numerical model that fully couples the SC and mechanical analysis, we discuss strategies for managing stress to mitigate the effects of SCinduced stress concentrations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Reactivity Insertion Accident (RIA) Capability Status in the BISON Fuel Performance Code

One of the Challenge Problems being considered within CASL relates to modelling and simulation of Light Water Reactor LWR) fuel under Reactivity Insertion Accident (RIA) conditions. BISON is the fuel performance code used within CASL for LWR fuel under both normal operating and accident conditions, and thus must be capable of addressing the RIA challenge problem. This report outlines required BISON capabilities for RIAs and describes the current status of the code. Information on recent accident capability enhancements, application of BISON to a RIA benchmark exercise, and plans for validation to RIA behavior are included.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2000

Intramolecular activation of a Ca(2+)-dependent protein kinase is disrupted by insertions in the tether that connects the calmodulin-like domain to the kinase

Ca(2+)-dependent protein kinases (CDPK) have a calmodulin-like domain (CaM-LD) tethered to the C-terminal end of the kinase. Activation is proposed to involve intramolecular binding of the CaM-LD to a junction sequence that connects the CaM-LD to the kinase domain. Consistent with this model, a truncated CDPK (DeltaNC) in which the CaM-LD has been deleted can be activated in a bimolecular interaction with an isolated CaM-LD or calmodulin, similar to the activation of a calmodulin-dependent protein kinase (CaMK) by calmodulin. Here we provide genetic evidence that this bimolecular activation requires a nine-residue binding segment from F436 to I444 (numbers correspond to CPK-1 accession number L14771). Two mutations at either end of this core segment (F436/A and VI444/AA) severely disrupted bimolecular activation, whereas flanking mutations had only minor effects. Intramolecular activation of a full-length kinase was also disrupted by a VI444/AA mutation, but surprisingly not by a F436/A mutation (at the N-terminal end of the binding site). Interestingly, intramolecular but not bimolecular activation was disrupted by insertion mutations placed immediately downstream of I444. To show that mutant enzymes were not misfolded, latent kinase activity was stimulated through binding of an antijunction antibody. Results here support a model of intramolecular activation in which the tether (A445 to G455) that connects the CaM-LD to the kinase provides an important structural constraint and is not just a simple flexible connection.

NASA Discipline Plant Biology↗
NASA NTRS2014

Contingency Trajectory Design for a Lunar Orbit Insertion Maneuver Failure by the Lunar Atmosphere Dust Environment Explorer (LADEE) Spacecraft

The purpose of this extended abstract is to present results from a failed lunar-orbit insertion (LOI) maneuver contingency analysis for the Lunar Atmosphere Dust Environment Explorer (LADEE) mission, managed and operated by NASA Ames Research Center in Moffett Field, CA. The LADEE spacecrafts nominal trajectory implemented multiple sub-lunar phasing orbits centered at Earth before eventually reaching the Moon (Fig. 1) where a critical LOI maneuver was to be performed [1,2,3]. If this LOI was missed, the LADEE spacecraft would be on an Earth-escape trajectory, bound for heliocentric space. Although a partial mission recovery is possible from a heliocentric orbit (to be discussed in the full paper), it was found that an escape-prevention maneuver could be performed several days after a hypothetical LOI-miss, allowing a return to the desired science orbit around the Moon without leaving the Earths sphere-of-influence (SOI).

Lunar Orbit Insertion↗
NASA NTRS2010

Accurate Insertion Loss Measurements of the Juno Patch Array Antennas

This paper describes two independent methods for estimating the insertion loss of patch array antennas that were developed for the Juno Microwave Radiometer instrument. One method is based principally on pattern measurements while the other method is based solely on network analyzer measurements. The methods are accurate to within 0.1 dB for the measured antennas and show good agreement (to within 0.1dB) of separate radiometric measurements.

insertion loss↗
DOE OSTI2023

ECAR-6599 Rev 0 PCAT Walls Temperature Distribution, Beryllium Inserts and Fuel-to-Fuel Gap Tolerance Analysis

This document reports the primary coolant system structures temperature distribution for the Primary Coolant Apparatus Test (PCAT) of the MARVEL microreactor. The temperature distributions have been calculated using the RELAP5-3D system code, using one-dimensional approximation, and considering radial heat losses, effects of thermal insulators, and hot spot factors. Sensitivities on the Be inserts dimensions tolerances and heater-to-heater pitch has been also performed, investigating the effects on the NaK and heater cartridge sheath temperatures.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗
DOE OSTI2023

Crystallographic Insight of Reduced Lattice Volume Expansion in Mesoporous Cu 2+ -Doped TiNb 2 O 7 Microspheres during Li + Insertion

TiNb 2 O 7 represents a promising anode material for lithium-ion batteries (LIBs), but its practical applications are currently hampered by the non-negligible volumetric expansion and contraction during the charge/discharge process and the sluggish ion/electron kinetics. Here a combination technique is reported by systematically optimizing the porous and spherical morphology, crystal structure, and surface decoration of mesoporous Cu 2+ -doped TiNb 2 O 7 microspheres to enhance the electrochemical Li + storage performance and stability simultaneously. The Cu 2+ dopants preferentially replace Ti 4+ in crystal lattices, which decreases the Li + diffusion barrier and increases the electronic conductivity, as confirmed by density functional theory (DFT) calculation and demonstrated by diverse electrochemical characterizations. The successful Cu 2+ doping significantly reduces the lattice expansion coefficient from 7.26% to 4.61% after Li + insertion along the b-axis of TiNb 2 O 7 , as visualized from in situ and ex situ XRD analysis. The optimal 5% Cu 2+ -doped TiNb 2 O 7 with surface coating of N-doped carbon exhibits significantly enhanced specific capacity and rate and cyclic performances in both half- and full-cell configurations, demonstrating an excellent electrochemical behavior for fast-charging LIB applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Beyond Insertion for Na‐Ion Batteries: Nanostructured Alloying and Conversion Anode Materials

Abstract Sodium‐ion technology has the potential to become the next generation of low cost and environmentally friendly electrochemical energy storage system for grid‐level applications. The low cost and abundant raw materials employed in sodium cells have driven the recent increasing interest in sodium‐ion batteries (SIBs), which appear especially appealing, since manufacturers can use the already existing production technology of lithium‐ion batteries. However, SIBs are still an early stage technology, which requires several issues affecting cell performance to be addressed. Despite the accelerated development of cathode materials, anode materials still require further investigation and optimization to reach high energy density performance. In the pursuit of high capacity anode materials, several alloying‐, conversion‐, and combined conversion–alloying‐based electrodes have been investigated. This review offers a comprehensive overview on the recent progresses toward the realization of “beyond‐insertion” anode materials. The role of nanostructuration with the associated advantages and disadvantages is presented for each class of compounds, combined with the main strategies adopted to improve the electrochemical behavior. Finally, an overview of the challenges and perspectives associated with the development of the next generation of anode materials is presented with a particular focus on the role of the electrolyte solutions and solid/electrolyte interphase.

Zhang, Huang↗
DOE OSTI2023

Direct Insertion Polymerization of Ionic Monomers: Rapid Production of Anion Exchange Membranes

Abstract The limited number of methods to directly polymerize ionic monomers currently hinders rapid diversification and production of ionic polymeric materials, namely anion exchange membranes (AEMs) which are essential components in emerging alkaline fuel cell and electrolyzer technologies. Herein, we report a direct coordination‐insertion polymerization of cationic monomers, providing the first direct synthesis of aliphatic polymers with high ion incorporations and allowing facile access to a broad range of materials. We demonstrate the utility of this method by rapidly generating a library of solution processable ionic polymers for use as AEMs. We investigate these materials to study the influence of cation identity on hydroxide conductivity and stability. We found that AEMs with piperidinium cations exhibited the highest performance, with high alkaline stability, hydroxide conductivity of 87 mS cm −1 at 80 °C, and a peak power density of 730 mW cm −2 when integrated into a fuel cell device.

Hsu, Jesse H.↗