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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Influence of Metal Identity on Light-Induced Switchable Adsorption in Azobenzene-Based Metal–Organic Frameworks

Energy-efficient capture and release of small gas molecules, particularly carbon dioxide (CO 2 ) and methane (CH 4 ), are of significant interest in academia and industry. Porous materials such as metal–organic frameworks (MOFs) have been extensively studied, as their ultrahigh porosities and tunability enable significant amounts of gas to be adsorbed while also allowing specific applications to be targeted. However, because of the microporous nature of MOFs, the gas adsorption performance is dominated by high uptake capacity at low pressures, limiting their application. Hence, methods involving stimuli-responsive materials, particularly light-induced switchable adsorption (LISA), offer a unique alternative to thermal methods. Here, we report the mechanism of a well-known LISA system, the azobenzene-based material PCN-250, for CO 2 and CH 4 adsorption. There is a noticeable difference in the LISA effect dependent on the metal cluster involved, with the most significant being PCN-250-Al, where the adsorption can change by 83.1% CH 4 and 56.1% CO 2 at 298 K and 1 bar and inducing volumetric storage changes of 36.2 and 33.9 cm 3 /cm 3 at 298 K between 5 and 85 bar (CH 4 ) and 2 and 9 bar (CO 2 ), respectively. Using UV light in both single-crystal X-ray diffraction and gas adsorption testing, we show that upon photoirradiation, the framework undergoes a “localized heating” phenomenon comparable to an increase of 130 K for PCN-250-Fe and improves the working capacity. Furthermore, this process functions because of the constrained nature of the ligand, preventing the typical trans-to-cis isomerization observed in free azobenzene. In addition, we observed that the degree of localized heating is highly dependent on the metal cluster involved, with the series of isostructural PCN-250 systems showing variable performance based upon the degree of interaction between the ligand and the metal center.

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

High Performance Circuit Pastes for Solid Oxide Fuel Cell Applications: Final Technical Report

Using a combination of in-plane electrical conductivity measurements, electrical contact resistance measurements, tensile fracture tests, double shear lap fracture tests, rapid thermal cycling adhesion tests, in situ wetting angle measurements, 3D X-ray tomography, reduction-oxidation (RedOx) cycling, scanning electron microscopy (SEM), energy dispersive x-ray spectroscopy (EDAX), Density Functional Theory (DFT) modeling, Molecular Dynamics (MD) modeling, and Phase Field modeling, this project determined that a new brazing technique developed by the PIs (specifically the use of nickel particles to direct the wetting and spreading of molten silver) could be used to produce well-adhered, >97% dense, electrically-conductive circuits, current collectors, and/or electrical contacts on a variety of ceramic and ceramic-coated substrates (specifically lanthanum strontium manganite, yttria stabilized zirconia, sapphire, Cr2O3-passivated stainless steel, and Al2O3-passivated stainless steel). Compared to other silver-based alternatives, Ag:Ni led to less manufacturing defects and was more tolerant of the extreme environments (isothermal high-temperature aging) and occasional abuse (rapid thermal cycling and RedOx cycling) encountered during Solid Oxide Fuel Cell and/or Solid Oxide Electrolysis Cell operation. Further, in some situations (such as when to produce Ag:Ni electrical contacts to Al2O3-protected stainless steel) the Ni particles also improved operation by acting as chemical getters that removed electrically-insulating, surface-segregating substrate impurities (i.e. by lowering the contact resistance with the underlying substrate).

36 MATERIALS SCIENCE↗
DOE OSTI2018

Mn- and N- doped carbon as promising catalysts for oxygen reduction reaction: Theoretical prediction and experimental validation

Development of platinum group metal (PGM)-free as well as iron-free electrocatalysts is imperative to achieve low-cost and long-term durability of polymer electrolyte membrane fuel cells. Here in this paper, we combined computational and experimental studies to investigate the mechanism, activity, and durability of Mn and N co-doped carbon (denoted as Mn-N-C) as promising catalysts for oxygen reduction reaction (ORR) in challenging acid medium. The first-principles density functional theory calculations predict that it is favorable for O 2 to be reduced into H 2 O via four-electron pathway on MnN 4 sites embedded in carbon layer. Using the reaction energies calculated from DFT, microkinetic analysis predicts that the MnN 4 sites could catalyze ORR with a half-wave potential only 60 mV lower than that of Pt (111) and 80 mV lower than that of the FeN 4 sites embedded in carbon layer, assuming the same density of active sites in the catalysts. Motivated by the computational prediction, we synthesized a Mn-N-C catalyst using a polymer (i.e., polyaniline-PANI) hydrogel precursors via a high temperature approach. Structural characterization indicates that atomically dispersed Mn sites coordinated with N are very likely formed in the catalyst. Electrochemical measurements show that the synthesized Mn-N-C catalyst can promote four-electron ORR with a catalytic activity in acids comparable to that of the Fe-N-C catalyst prepared using the same procedure. More importantly, the Mn-N-C catalyst exhibits superior potential cyclic stability, only losing 20 mV after 10000 cycles (0.6 to 1.0 V in O 2 saturated electrolyte). In comparison, the Fe-N-C catalyst would loss 80 mV after only 5000 cycles under the same testing conditions. Our computational and experimental results strongly suggest that the Mn and N co-doped carbon could be promising high-performance catalysts for ORR in acidic medium.

25 ENERGY STORAGE↗
DOE OSTI2015

AGR-1 Irradiation Test Final As-Run Report, Rev. 3

This document presents the as-run analysis of the AGR-1 irradiation experiment. AGR-1 is the first of eight planned irradiations for the Advanced Gas Reactor (AGR) Fuel Development and Qualification Program. Funding for this program is provided by the US Department of Energy (DOE) as part of the Next-Generation Nuclear Plant (NGNP) project. The objectives of the AGR-1 experiment are: 1. To gain experience with multi-capsule test train design, fabrication, and operation with the intent to reduce the probability of capsule or test train failure in subsequent irradiation tests. 2. To irradiate fuel produced in conjunction with the AGR fuel process development effort. 3. To provide data that will support the development of an understanding of the relationship between fuel fabrication processes, fuel product properties, and irradiation performance. In order to achieve the test objectives, the AGR-1 experiment was irradiated in the B-10 position of the Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL) for a total duration of 620 effective full power days of irradiation. Irradiation began on December 24, 2006 and ended on November 6, 2009 spanning 13 ATR cycles and approximately three calendar years. The test contained six independently controlled and monitored capsules. Each capsule contained 12 compacts of a single type, or variant, of the AGR coated fuel. No fuel particles failed during the AGR-1 irradiation. Final burnup values on a per compact basis ranged from 11.5 to 19.6 %FIMA, while fast fluence values ranged from 2.21 to 4.39 x 10 25 n/m 2 (E >0.18 MeV). We’ll say something here about temperatures once thermal recalc is done. Thermocouples performed well, failing at a lower rate than expected. At the end of the irradiation, nine of the originally-planned 19 TCs were considered functional. Fission product release-to-birth (R/B) ratios were quite low. In most capsules, R/B values at the end of the irradiation were at or below 10 -7 with only one capsule significantly exceeding this value. A maximum R/B of around 2 x 10 -7 was reached at the end of the irradiation in Capsule 5. Several shakedown issues were encountered and resolved during the first three cycles. These include the repair of minor gas line leaks; repair of faulty gas line valves; the need to position moisture monitors in regions of low radiation fields for proper functioning; the enforcement of proper on-line data storage and backup, the need to monitor thermocouple performance, correcting for detector spectral gain shift, and a change in the mass flow rate range of the neon flow controllers.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2018

Concept of Operations: National Technology Test Bed Network for Water Resource Recovery

There is an urgency to advancing wastewater technologies due to aging water infrastructure and emerging regulations. A crosscutting working group proposes a conceptual design for a test bed network to understand and evaluate wastewater technologies to drive acceptance and deployment of new technologies to enhance performance. The working group includes contributors from the U.S. Department of Energy, the U.S. Environmental Protection Agency, the U.S. National Science Foundation, and the Water Research Foundation (formerly known as the Water Environment & Reuse Foundation). Upgrading today's aging wastewater treatment infrastructure to a new generation of water resource recovery facilities (WRRFs) requires the development and deployment of innovative technologies. The path to technology adoption depends on expensive, time consuming, and often repetitive cycles of testing and validation. Existing water resource recovery technology testing facilities (e.g., test beds) are underutilized and cannot, by themselves, broaden technology uptake. It has been proposed that technology adoption could be accelerated by a network linking these test facilities with innovators, manufacturers, utilities, regulators, policymakers, and educators. This document proposes a structure for a National Test bed Network (TBN) for water resource recovery. The concepts for its operation are explored herein. This document identifies drivers to launch a TBN and critical needs for successful implementation of the network. An important driver to technology implementation at WRRFs is the relationship between local utilities and state regulators. The TBN could provide access to validated performance data and facilitate deployment. To link the stakeholders and accelerate deployment, the TBN will require standards for methods, data quality, data management, and data security. These standards will enable validation of performance and will expand the “toolbox” that utilities and regulators could consider. Design, set up, and launch of this toolbox is beyond the scope of operations of utilities and regulators and will likely require external support to achieve full operation. Herein, a pathway is proposed to achieve this full operation. This document defines the function of a WRRF TBN. It also proposes a structure for the TBN to achieve its stated goals and mission. Finally, this document summarizes findings from several sources, including a series of workshops about the TBN concept, operators of test beds in ancillary industries, and discussions with regulators and permitting agencies. A description of this work was published in the peer-reviewed literature (Mihelcic 2017).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2019

Understanding the Response of Photosynthetic Metabolism in Tropical Forests to Seasonal Climate Variations

We propose a study focused on the basic question: What controls the response of photosynthesis in Amazonian forests to seasonal variations in climate? This question, despite its apparent simplicity, remains difficult for modern earth system models to answer, and is also the subject of continuing controversy in the remote-sensing literature. For example, in the modeling arena, four cutting-edge earth system models (ESM’s) show significant divergence in their seasonal patterns of photosynthesis from observed whole-system photosynthetic fluxes at two sites in the central Amazon. The overall objective of the project is to guide improvements in earth system models of tropical forest photosynthesis by collecting and integrating a suite of observations to 1) test several hypotheses (three core, conceptual hypotheses for explaining observed photosynthetic seasonality and a methodological hypotheses for scaling from leaves to canopy with hyperspectral cameras), and 2) perform a synthesis activity that applies our empirical work to earth system models of terrestrial carbon cycling. The project will provide an extensive suite of new and unique datasets that enable us to fill, through advanced modeling techniques and analysis, critical knowledge gaps in current understanding of what controls the response of canopy photosynthesis and related functions in Amazonian forests to seasonal variation in climate. Three major types of datasets and data products will be delivered: (1) in situ leaf and tree-scale measurements from intensive ecophysiological and ecohydological field campaigns, (2) time-series observations of leaf-to-crown scale forest reflectance properties and atmospheric radiation from two innovative, ground-based imaging sensors (respectively, the Hyperspectral Vegetation Imaging System and the High Dynamic Range All-Sky Imaging System), and (3) results from state-of-the-art models of 3-dimensional canopy processes for radiative transfer and photosynthesis that integrate and link our observations to tropical forest processes. These data products and the improved knowledge we achieve with them will contribute to testing and improving the treatment of tropical forest processes in ESMs. They will contribute data to and leverage related data from of the GOAmazon campaign, and make significant contributions to support the overall goals of GOAmazon. This work will also help establish a foundation for the Next Generation Ecosystem Experiments (NGEE) in the Tropics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Neutronics Calculation of Fast Reactor Using Modern Computing Systems

The possibility of using the LUCKY-A three-dimensional multiprocessor transport code as a neutronics module for the COREMELT integrated non-stationary code for performing safety analysis, which is used for fast sodium reactor safety validation, is discussed. In this application, more stringent requirements are imposed on the computing speed of the LUCKY-A code. To test LUCKY-A possibilities, a typical computational problem is examined in a formulation characteristic for the proposed use of the code. The possibilities of the code for parallelized calculations are shown, and a comparison is made with calculations performed with the MMKKENO and TRIGEX codes. The efficacy of a parallel computational process is investigated as a function of the number of computing kernels used.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Linkage Transformations in a Three-Dimensional Covalent Organic Framework for High-Capacity Adsorption of Perfluoroalkyl Substances

Despite their many advantages, covalent organic frameworks (COFs) built from three-dimensional monomers are synthetically difficult to functionalize. Herein, we provide a new synthetic approach to the functionalization of a three-dimensional covalent organic framework (COF-300) by using a series of solid-state linkage transformations. By reducing the imine linkages of the framework to amine linkages, we produced a more hydrolytically stable material and liberated a nucleophilic amino group, poised for further functionalization. We then treated the amine-linked COF with diverse electrophiles to generate a library of functionalized materials, which we tested for their ability to adsorb perfluoroalkyl substances (PFAS) from water. The framework functionalized with dimethylammonium groups, COF-300-dimethyl, adsorbed more than 250 mg of perfluorooctanoic acid (PFOA) per 1 g of COF, which represents an approximately 14,500-fold improvement over that of COF-300 and underscores the importance of electrostatic interactions to PFAS adsorption performance. In conclusion, this work provides a conceptually new approach to the design and synthesis of functional three-dimensional COFs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A machine learning aided interpretable model for rupture strength prediction in Fe-based martensitic and austenitic alloys

Abstract The class of 9–12% Cr ferritic-martensitic alloys (FMA) and austenitic stainless steels have received considerable attention due to their numerous applications in high temperature power generation industries. To design high strength steels with prolonged service life requires a thorough understanding of the long-term properties, e.g., creep rupture strength, rupture life, etc., as a function of the chemical composition and processing parameters that govern the microstructural characteristics. In this article, the creep rupture strength of both 9–12% Cr FMA and austenitic stainless steel has been parameterized using curated experimental datasets with a gradient boosting machine. The trained model has been cross validated against unseen test data and achieved high predictive performance in terms of correlation coefficient ( $$R^{2} > 0.98 $$ R 2 > 0.98 for 9–12% Cr FMA and $$R^{2} > 0.95 $$ R 2 > 0.95 for austenitic stainless steel) thus bypassing the need for additional comprehensive tensile test campaigns or physical theoretical calculations. Furthermore, the feature importance has been computed using the Shapley value analysis to understand the complex interplay of different features.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Precision lattice test of the gauge/gravity duality at large N

We perform a systematic, large-scale lattice simulation of D0-brane quantum mechanics. The large-N and continuum limits of the gauge theory are taken for the first time at various temperatures 0.4≤T≤1.0. As a way to test the gauge/gravity duality conjecture we compute the internal energy of the black hole as a function of the temperature directly from the gauge theory. We obtain a leading behavior that is compatible with the supergravity result E/N 2 =7.41T 14/5 : the coefficient is estimated to be 7.4±0.5 when the exponent is fixed and stringy corrections are included. This is the first confirmation of the supergravity prediction for the internal energy of a black hole at finite temperature coming directly from the dual gauge theory. As a result, we also constrain stringy corrections to the internal energy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

DSP Implementation of a Novel Recurrent Neural Network Controller into a TI Solar Microinverter

Single-phase grid-tied inverters are widely used to integrate small-scale renewable energy sources and distributed generations to the utility grid. A novel Recurrent Neural Network (RNN) current controller is introduced to solve the resonant problem associated with LCL based inverters. The well-trained RNN controller was validated through a Texas Instruments (TI) LCL filter based solar microinverter kit that contains a C2000 TI microcontroller. The inverter closed current loop test without the grid connection was conducted in a laboratory setup to verify the RNN contoller functionality. The laboratory waveform results verified that the RNN current controller produced the strong tracking of the measured inverter AC current to its reference value even at a low sampling frequency of 5KHz. The proposed RNN current controller also proved to perform better than the built-in three-pole-three-zero (3P3Z) current controller provided by TI and produce lower values of Total Harmonic Distortion (THD).

digital signal processor↗
DOE OSTI2024

Forced Oscillation Source Location in Power Systems Using MVMD-assisted DEF in TF Plane

Fast and accurate forced oscillation source location (FOSL) is critical for mitigating forced oscillations in power systems. Here, to overcome the shortcomings of traditional dissipating energy flow (DEF) in decomposing the forced oscillation components from the measurement responses, a multivariate variational mode decomposition (MVMD)-assisted FOSL is proposed in this paper to locate the forced oscillation sources from measurements in time-frequency (TF) plane. The multi-channel measurement matrix of each generator is formed, then the multi-channel modes are decomposed from the formed multi-channel measurement matrix using the MVMD. Further, the intrinsic mode functions (IMFs) associated with the forced oscillation mode are distinguished from the decomposed modes according to the relative energy weights. With the distinguished IMFs, the MVMD-assisted DEF calculation method is developed to locate the forced oscillation source. Finally, the performance of the proposed method is evaluated using the simulation data of the WECC 179-bus test system and IEEE-NASPI Oscillation Source Location Contest as well as the actual PMU data of ISO New England. The results validated the effectiveness and accuracy of the proposed method in the FOSL.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

PBE-HIL (Powering the Blue Economy Hardware-in-the-Loop models) [SWR-25-37]

Powering the Blue Economy Hardware-in-the-Loop models (PBE-HIL) is a repository of Power Hardware-in-the-loop models developed for typical Powering the Blue Economy market loads and power requirements. The HIL models were developed to be as generic and functional as possible, meaning that the user can easily configure these models to represent their unique PBE design. These PBE load and power requirement HIL models can then be used to inform marine energy converter (MEC) and power electronics design, as well as be used in laboratory testing using HIL equipment, leading to improved understanding of MEC performance and lower risk prior to open-water MEC deployment.

Labuschagne, Hannes [National Renewable Energy Lab↗
DOE OSTI2015

Design and Development of an Integrated Workstation Automation Hub

Miscellaneous Electronic Loads (MELs) account for one third of all electricity consumption in U.S. commercial buildings, and are drivers for a significant energy use in India. Many of the MEL-specific plug-load devices are concentrated at workstations in offices. The use of intelligence, and integrated controls and communications at the workstation for an Office Automation Hub – offers the opportunity to improve both energy efficiency and occupant comfort, along with services for Smart Grid operations. Software and hardware solutions are available from a wide array of vendors for the different components, but an integrated system with interoperable communications is yet to be developed and deployed. In this study, we propose system- and component-level specifications for the Office Automation Hub, their functions, and a prioritized list for the design of a proof-of-concept system. Leveraging the strength of both the U.S. and India technology sectors, this specification serves as a guide for researchers and industry in both countries to support the development, testing, and evaluation of a prototype product. Further evaluation of such integrated technologies for performance and cost is necessary to identify the potential to reduce energy consumptions in MELs and to improve occupant comfort.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Evaluation of the Nanometrics Centaur Digitizer

Sandia National Laboratories has tested and evaluated a new digitizer, the Centaur, manufactured by Nanometrics, Inc. This digitizer is used to record sensor output for seismic and infrasound monitoring applications. The purpose of the digitizer evaluation was to measure the performance characteristics in such areas as power, sensitivity, self-noise, dynamic range, system noise, modified noise power ration, relative transfer function, analog bandwidth, harmonic distortion, common mode, cross talk, timing tag accuracy and timing drift. The Centaur provides six channels of 24 bit digitization, three of which may be transmitted utilizing CD1.1 protocol.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

The Applicability of Unit Systems to High-Performance Computing Applications

Dimensional analysis is a key technique used to verify the soundness of scientific models. Most experts agree that engineering and scientific software would be made more reliable by integrating dimensional analysis in their type system. We explored how High Performance Computing (HPC) applications could integrate compile-time dimensional analysis. We started by investigating various implementation of unit systems for C++. Eventually, selecting the latest (and most advanced) one to apply to our test codes. We worked with code of increasing complexity, from a projectile trajectory calculation to the proxy-application Lulesh. This included our code, Springs-3D, which focuses on demonstrating language features while performing simple physic computations. Finally, our main contribution is a source-code analysis which extracts constraints on the dimension of all variables, functions, and constants in an application. This resulting system of equations is solved using the dimensions of a few of these objects. This analysis has the potential to greatly reduce the time spent performing dimensional analysis when refactoring application to use a representation of units.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Robust Heat-Flux Sensors for Coal-Fired Boiler Extreme Environments

In this project, robust heat-flux measurement systems were developed. The heat-flux sensors utilize thermoelectric effects to directly transduce the heat-flux inputs to analog electrical voltage signals. They were constructed from dedicated materials that can withstand temperatures of at least 1000°C and maintain adequate performance at these conditions for prolonged periods of time. The proposed approaches took into account numerous considerations, including system cost, sensor head resilience, sensor footprint, data accuracy, response time, and maintenance requirements. Through modern thermoelectric materials design, methodical materials selection and rigorous testing in materials characterization labs and medium-scale fire research facilities, we have demonstrated functioning laboratory prototypes, upon which one could base industrial heat-flux sensing platforms capable of operating in the challenging high-temperature, corrosive environments of the boilers of coal-fired power plants. A distributed sensor array for heat-flux measurements throughout the furnace water-wall, the superheater area and the economizer coils can provide critical data for the power plant control systems to increase efficiency, improve safety and reduce down times. For example, the combined heat-flux sensor/control systems can contribute to the optimization of burner and boiler operations under flexible loads, the optimization of heat-exchange conditions and overall reduction of heat rate and emissions, the prediction of imminent overheating conditions, and the optimization of the soot-blowing protocols.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2025

LDRD for a high-current polarized-beam photogun

The electron accelerator driving the Ce+BAF conversion target requires a spin-polarized photogun capable of delivering a CW beam current of at least 1 mA. As the high beam current limits the useful operating time of the gun between photocathode reactivations due to ion back-bombardment, it is critical to increase the charge lifetime. A Jefferson Lab LDRD project aims to calibrate the simulation models needed to predict photocathode lifetime as a function of electrostatic optics and drive laser parameters in order to design a gun providing at least 1000 C charge lifetime. A prototype gun demonstrating the validity of the scaling predictions will be built and tested at the Gun Test Stand. I will describe the background and progress of this project and give an outlook on the expected performance.

Bruker, Max [Thomas Jefferson National Accelerator↗