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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

A guide to the use of the pressure disk rotor model as implemented in INS3D-UP

This is a guide for the use of the pressure disk rotor model that has been placed in the incompressible Navier-Stokes code INS3D-UP. The pressure disk rotor model approximates a helicopter rotor or propeller in a time averaged manner and is intended to simulate the effect of a rotor in forward flight on the fuselage or the effect of a propeller on other aerodynamic components. The model uses a modified actuator disk that allows the pressure jump across the disk to vary with radius and azimuth. The cyclic and collective blade pitch angles needed to achieve a specified thrust coefficient and zero moment about the hub are predicted. The method has been validated with experimentally measured mean induced inflow velocities as well as surface pressures on a generic fuselage. Overset grids, sometimes referred to as Chimera grids, are used to simplify the grid generation process. The pressure disk model is applied to a cylindrical grid which is embedded in the grid or grids used for the rest of the configuration. This document will outline the development of the method, and present input and results for a sample case.

Chaffin, Mark S.↗
DOE OSTI2023

Improving evapotranspiration computation with electrical resistivity tomography in a maize field

Abstract Hydrogeophysical methods have been increasingly used to study subsurface soil–water dynamics, yet their application beyond the soil compartment or the quantitative link to soil hydraulic properties remains limited. To examine how these methods can inform model‐based evapotranspiration (ET) calculation under varying soil water conditions, we conducted a pilot‐scale field study at an experimental maize plot with manipulated irrigation treatments. Our goal was to develop a workflow for (1) acquiring and inverting field electrical resistivity tomography (ERT) data, (2) correlating ERT to soil hydraulic properties, (3) spatially characterizing soil water stress that feeds into ET modeling (the FAO‐56 model), and (4) evaluating the performance of ERT‐based ET computation. Our results showed that ERT was able to capture decimeter‐scale soil water content (SWC) dynamics from root water uptake and irrigation manipulation and the contrast of soil water stress between deficiently and fully irrigated maize. We also demonstrated the flexibility of using ERT to spatially integrate soil water stress in the soil volume of interest, which could be adjusted based on different crops and plot layouts. The integration of the ERT datasets into ET modeling provided insights into the spatial heterogeneity of the subsurface that has been challenging for point‐based sensing, which can further our understanding of the hydraulic dynamics in the soil‐plant‐atmosphere continuum.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Spectral emittance measurements of micro/nanostructures in energy conversion: a review

Micro/nanostructures play a key role in tuning the radiative properties of materials and have been applied to the high-temperature energy conversion systems for improved performance. Among the various radiative properties, spectral emittance is of integral importance for the design and analysis of materials that function as radiative absorbers or emitters. This article presents an overview of the spectral emittance measurement techniques using both the direct and indirect methods. Several micro/nanostructures are also introduced, and a special emphasis is placed on the emissometers developed for characterizing engineered micro/nanostructures in high-temperature applications (e.g., solar energy conversion and thermophotovoltaic devices). Both experimental facilities and measured results for different materials are summarized. Future prospects in developing instrumentation and micro/nanostructured surfaces for practical applications are also outlined. This study provides a comprehensive source of information for the application of micro/nanostructures in high-temperature energy conversion engineering.

14 SOLAR ENERGY↗
DOE OSTI2025

High-heat transfer lithium-ion batteries: A new era in battery thermal management

Despite advances in lithium-ion battery technology, critical challenges remain that must be addressed to accelerate electric vehicle (EV) adoption and global energy transformation. Significantly improved battery thermal management (BTM) is key to overcoming these challenges. BTM approaches focus on increasing heat transfer coefficients via air, liquid, or refrigerant cooling, but less attention is given to reducing the battery's thermal resistance, a major bottleneck for heat transfer. This work introduces a novel approach to reduce battery thermal resistance by integrating in-plane heat transfer with optimized cell geometry, minimized thermal resistances, and reduced interfacial resistances, representing a departure from previous methods. The standard prismatic can cell incorporating this technology is referred to as the high heat transfer (HHT) battery. An equivalent resistance battery thermal model is developed for speed and accuracy, validated against experimental data in the literature, demonstrating strong correlation and ensuring reliable predictions for real-world performance. Thermal performance metrics of the conventional and HHT batteries are compared using a parametric study with air, liquid, and refrigerant boundary conditions across a range of aspect ratios. The HHT battery shows a heat removal rate up to 20 times higher than a conventional battery. These findings suggest that HHT technology could be transformative for EV battery performance, enabling fast charging, mitigating thermal runaway, extending battery life, reducing cold-weather power loss, increasing reliability, lowering costs, and enabling higher energy density, all critical for EV adoption and energy transformation. Future work will focus on prototyping and real-world testing to refine these findings for commercial-scale applications.

25 ENERGY STORAGE↗
DOE OSTI2024

Visualizing the SEI formation between lithium metal and solid-state electrolyte

The solid electrolyte interphase (SEI) is regarded as the most important factor affecting the durability of lithium-metal anode in all-solid-state batteries (ASSBs). Despite its significance, the nucleation and growth mechanism of SEI is not yet well understood. Here, we elucidate the thermodynamics and kinetics governing SEI formation at the Li|β-Li 3 PS 4 interface at the atomic scale via thermodynamic phase equilibrium analysis and machine-learning-potential-assisted molecular dynamics (MD) simulations. An accurate moment tensor potential using the machine-learning method is developed for a reactive model of Li|β-Li 3 PS 4 . This potential enabled us to perform large-scale MD simulations with the model size expanded to the experimental dimensions (~40 nm) while maintaining the same level of accuracy as density functional theory calculations. The results reveal a four-stage evolution process at the Li|β-Li 3 PS 4 interface, namely (i) fast ion diffusion, (ii) nucleation, (iii) Li 2 S growth, and (iv) stabilization. Notably, we demonstrate that the SEI can be categorized into crystalline and amorphous regions. The simulated SEI thickness, structure, and composition closely match experimental findings, validating the accuracy of the MD simulations. We further disclose the significant impact of ion diffusion kinetic limitations on the phase formation and crystallization of interfacial products. Furthermore, we shed light on the detailed potential energy (PE) distribution of lithium along the direction perpendicular to the interface. Finally, this information is crucial for better understanding interfacial ion mobility.

25 ENERGY STORAGE↗
DOE OSTI2021

Metastable Materials Discovery in the Age of Large-Scale Computation

Computational materials discovery has been successful in predicting novel, technologically relevant materials. However, it has remained focused almost exclusively on finding ground-state structures. Now that the lower-hanging fruit has been found in many fields of application, materials exploration is moving toward metastable materials: higher energy phases that are stable at practical time scales. Because of the challenges associated with predicting which phases are realistic, this class of materials has remained relatively unexplored, despite numerous examples of metastable structures with unmatched properties (e.g., diamond). This article highlights recent advances in developing computational and theoretical methods for predicting useful and realizable metastable materials. Topics discussed cover (1) the latest strategies for identifying potential metastable phases, (2) methodologies for assessing which phases can be realized experimentally, and (3) current approaches to estimate the lifetime of metastable materials.

amorphous materials↗
DOE OSTI2022

Probing drift velocity dispersion in MAPbI 3 photovoltaic cells with nonlinear photocurrent spectroscopy

Conventional time-of-flight (TOF) measurements yield charge carrier mobilities in photovoltaic cells with time resolution limited by the RC time constant of the device, which is on the order of 0.1–1 µs for the systems targeted in the present work. We have recently developed an alternate TOF method, termed nonlinear photocurrent spectroscopy (NLPC), in which carrier drift velocities are determined with picosecond time resolution by applying a pair of laser pulses to a device with an experimentally controlled delay time. In this technique, carriers photoexcited by the first laser pulse are “probed” by way of recombination processes involving carriers associated with the second laser pulse. Here, we report NLPC measurements conducted with a simplified experimental apparatus in which synchronized 40 ps diode lasers enable delay times up to 100 µs at 5 kHz repetition rates. Carrier mobilities of ∼0.025 cm 2 /V/s are determined for MAPbI 3 photovoltaic cells with active layer thicknesses of 240 and 460 nm using this instrument. Here, our experiments and model calculations suggest that the nonlinear response of the photocurrent weakens as the carrier densities photoexcited by the first laser pulse trap and broaden while traversing the active layer of a device. Based on this aspect of the signal generation mechanism, experiments conducted with co-propagating and counter-propagating laser beam geometries are leveraged to determine a 60 nm length scale of drift velocity dispersion in MAPbI 3 films. Contributions from localized states induced by thermal fluctuations are consistent with drift velocity dispersion on this length scale.

14 SOLAR ENERGY↗
DOE OSTI2025

Multiphase Species Transport Modeling for Molten Salt Reactors in the System Analysis Module: Generation, Decay, Deposition, and Extraction of Insoluble Fission Products

With the increase of interests in the design and deployment of advanced reactor systems, a desire for simulation tools supporting system analysis of reactor operation and safety is rising. Molten salt reactors (MSRs), one of the advanced reactor systems, utilize liquid fused salt fuel as both coolant and fuel. During operation, MSR generates insoluble fission products, including noble metals and gases. The buildup of these species in fuel salt presents safety concerns as they may deposit on surfaces of critical components and produce excessive decay heat, causing the failure of system components. Timely removal of these noble metals and gases would ensure the safe operation of the reactor system. The dynamic nature of salt fuel system, involving the generation, decay, deposition, and extraction of noble metals and gases, calls for robust species transport models to facilitate system analysis and monitoring, and design of efficient species removal components. This paper concentrates on the development of a computational framework for species transport, consisting of multiphase transport model formulation, mass transfer between phases, numerical implementation in MOOSE environment, verification through Method of Manufacture Solutions (MMS) and validation against experimental data from the Molten Salt Reactor Experiment (MSRE). Integrating this framework into the System Analysis Module (SAM) code further enhances SAM’s capabilities for advanced reactor analysis in the future.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Multi-Factor-Coupled, Ahead-of-Time Aggregation of Power Flexibility Under Forecast Uncertainty

The increasing penetration of distributed energy resources (DERs) is significantly reshaping the role of distribution systems under active energy management. To aggregate the active-reactive power flexibility of DERs dispersed at the feeder and provide capacity support to the transmission system, it is essential to efficiently identify feasible substation power injection trajectories. This paper introduces a novel ahead-of-time flexibility characterization method to address it. First, a polyhedral non-feeder-level power flexibility region (PFR) is constructed, accounting for various time-dependent, power-coupled, and forecast error uncertainties. Then, a polyhedral feeder-level PFR is analytically derived through a coordinate transformation, which can reveal the uncertainty propagation path, i.e., how uncertainty applies to the feeder-level PFR. To facilitate the high-level application, a tractable chance-constrained Chebyshev centering optimization model is further developed to find a ball-shaped inner approximation of the feeder-level PFR. Finally, the proposed method is validated on a modified IEEE 123-bus test system. Here, both theoretical and experimental results show that, with appropriate robustness parameter settings, the proposed method can make the approximated PFR less conservative with abundant robustness against forecast error uncertainty.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

High-Fidelity Numerical Investigation on Elucidating Sodium Heat Transfer Characteristics for 37-Pin Wire-Wrapped Fuel Bundle in the PLANDTL Facility

This study involved a Reynolds-averaged Navier-Stokes- (RANS-) based computational fluid dynamics (CFD) analysis of the 37-pin wire-wrapped fuel bundle of the PNC Plant dynamics test loop (PLANDTL) facility. Previously, mainly the hydrodynamic phenomena of the wire-wrapped fuel bundle were analyzed, but the present study additionally included heat transfer analysis through conjugate heat transfer. The main purpose of the study was to benchmark the experimental data of the PLANDTL 37-pin wire-wrapped fuel bundle to investigate the heat transfer phenomena. In addition, the aim was to verify the accuracy of the RANS-based CFD analysis method using the STAR-CCM+ simulation software in comparison with the experimental data. The grid used for verification was an innovative grid system consisting of hexahedra using Fortran-based code. The development of the RANS-based CFD methodology included grid sensitivity analysis, turbulence model sensitivity analysis, and turbulent Prandtl number sensitivity analysis. Information on the temperature, mass flow rate, and area of the CFD results for each subchannel was provided for the top of the heated section and is expected to serve as a reference for future studies aiming to perform the validation and verification of a PLANDTL facility. In addition, the dependence of the peak temperature on the azimuth angle of each pin was analyzed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Enhancing Analytical Performance of (Mg,Fe)3O4/Glassy Carbon Electrodes by Tailoring Chemical Composition of (Mg,Fe)3O4 Nanoparticles

A series of MgxFe3-xO{sup 4} (x = 0-1) nanoparticles was synthesized in order to prepare novel MgxFe3-xO{sup 4}/glassy carbon modified electrodes. Effects of magnesium content (x) on the analytical performance of the modified electrodes in the detection of gallic acid were evaluated. It was found that magnesium concentration and crystallite/particle size of the prepared nanoparticles play significant roles in the sensing properties of modified electrodes. The increase of magnesium concentration up to the value of x = 0.4 in MgxFe3-xO{sup 4}/glassy carbon paste was accompanied by an increase of the corresponding oxidation current of gallic acid. However, further growth of x value caused decline of the obtained oxidation current. An electroanalytical procedure was established, and the analytical performance of the proposed Mg0.4Fe2.6O{sup }4#/glassy carbon paste electrode was monitored using previously optimized experimental conditions. A working linear range from 1-39 µM gallic acid was obtained with detection limit of 0.29 µM. According to these results, the developed procedure can be applied for detection of low concentrations of gallic acid with satisfactory selectivity in the presence of some common naturally occurring compounds. Experimental results indicate that the developed procedure could be a novel approach in the detection of antioxidant, overcoming some known disadvantages such as passivation, and could be a promising replacement for sophisticated chromatographic methods.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

AN OVERVIEW OF PLASMA PROCESSING OF SRF CAVITIES AT JLAB

Plasma processing is a common technique where the free oxygen produced in a low-pressure RF plasma breaks down and removes hydrocarbons from surfaces. This increases the work function and reduces the secondary emission coefficient of the treated surfaces. Jefferson Lab has an ongoing R&D program in plasma processing. The experimental program investigated processing using argon/oxygen and helium/oxygen gas mixtures. The initial focus of the effort was processing C100 cavities by injecting RF power into the HOM coupler ports. We also developed the methods for establishing a plasma C75 cavities where the RF power is injected via the fundamental power-coupler. As part of the process development we processed, three C100 cryomodules in our off-line cryomodule test facility. In May 2023 we processed four C100 cryomodules in-situ in the CEBAF accelerator with the cryomodules returning to an operational status in Sept. 2023. The cumulative improvement in field emission free operation, as measured on a cavity by cavity basis, was 59 MeV or 24%. We recently started processing 7 cryomodules in the CEBAF accelerator in August 2024. Methods systems and results from processing cryomodules and individual cavities in the vertical test will be presented. Current status and future plans will also be presented.

Ganey, Tiffany↗
DOE OSTI2017

Development of Multi-physics (Multiphase CFD + MCNP) simulation for generic solution vessel power calculation

The current study aims to predict the steady state power of a generic solution vessel and to develop a corresponding heat transfer coefficient correlation for a Moly99 production facility by conducting a fully coupled multi-physics simulation. A prediction of steady state power for the current application is inherently interconnected between thermal hydraulic characteristics (i.e. Multiphase computational fluid dynamics solved by ANSYS-Fluent 17.2) and the corresponding neutronic behavior (i.e. particle transport solved by MCNP6.2) in the solution vessel. Thus, the development of a coupling methodology is vital to understand the system behavior at a variety of system design and postulated operating scenarios. In this study, we report on the k-effective (keff) calculation for the baseline solution vessel configuration with a selected solution concentration using MCNP K-code modeling. The associated correlation of thermal properties (e.g. density, viscosity, thermal conductivity, specific heat) at the selected solution concentration are developed based on existing experimental measurements in the open literature. The numerical coupling methodology between multiphase CFD and MCNP is successfully demonstrated, and the detailed coupling procedure is documented. In addition, improved coupling methods capturing realistic physics in the solution vessel thermal-neutronic dynamics are proposed and tested further (i.e. dynamic height adjustment, mull-cell approach). As a key outcome of the current study, a multi-physics coupling methodology between MCFD and MCNP is demonstrated and tested for four different operating conditions. Those different operating conditions are determined based on the neutron source strength at a fixed geometry condition. The steady state powers for the generic solution vessel at various operating conditions are reported, and a generalized correlation of the heat transfer coefficient for the current application is discussed. The assessment of multi-physics methodology and preliminary results from various coupled calculations (power prediction and heat transfer coefficient) can be further utilized for the system code validation and generic solution vessel design improvement.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Development of Passive HC/NOx Trap Catalysts for Low Temperature Gasoline Applications

This project aimed to develop fundamental understanding of the chemistry of NO adsorption and reaction in Pd/zeolites so as to facilitate the rational design of passive NOx adsorber catalysts. The approach adopted combined both experimental and computational methods, which together allow a deeper understanding of the governing chemistry than the use of either method alone. The workflow began with Pd/H-CHA and Pd/H-BEA catalyst synthesis and characterization, in which the Si/Al ratio and Al siting were systematically varied. This was followed by catalyst evaluation using temperature-programed adsorption/desorption methods, as well as in situ spectroscopic measurements to probe the chemistry of NO adsorption. In parallel, the adsorption of NO and other relevant species (H 2 O, CO, HCs) was studied by means of quantum chemical calculations in order to rationalize the experimental data and provide additional insights. Catalyst aging studies were also performed with the aim of elucidating the mechanism of catalyst degradation. Finally, the insights gained in this project were applied to the preparation of an optimized HC/NOx adsorber catalyst, the performance of which was studied using exhaust gas from an engine dynamometer.

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

An Overview of the Molten Salt Thermal Properties Database–Thermophysical, Version 2.1.1 (MSTDB-TP v.2.1.1)

The current status of the Molten Salt Thermodynamic Database- Thermal Physical (MSTDB-TP) is reported. Building off of MSTDB-TP and through the direction of the Roadmap for thermal property measurement of Molten Salt Reactor systems, MSTDB-TP 2.1.1 has now been released containing a total 448 salt entries (data from 140+independent studies) compared to the original commit of 62, containing thermophysical properties including density, viscosity, thermal conductivity, and heat capacity. Along with the new database release, further advancement of Saline, a C++application programming interface (API), and a graphical user interface (GUI) has facilitated increased user/developer interaction with the database. Furthermore, estimation techniques, first principles calculations (Ab-Initio) and interpolation/extrapolation methods (Redlich-Kister/Muggianu), have shown great promise in the future of thermophysical property determination for filling out compositional spaces and investigating experimentally difficult salts (hazardous/expensive). This report describes the database composition, development and advancement of database tools, and the strategy of advancing and implementing estimation data into future iterations of the database for MSTDB-TP.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Characterization and Accelerated Life Testing of a New Solid Oxide Electrolysis Cell

The project aims to develop mechanistic degradation models that realistically predict long-term Solid Oxide Electrolysis Cell (SOEC) durability, using input data from accelerated electrochemical life testing combined with quantitative microstructural and microchemical evaluation. A promising SOEC type will be further developed. The understanding achieved by combining experimental results and theory will be used to guide improvements in long-term SOEC durability, and validate that this technology can reach DOE H 2 production cost and durability targets. Planned outcomes include: (1) new experimental accelerated testing data on SOEC degradation at the oxygen electrode, fuel electrode, and electrolyte; (2) predictive theory of degradation developed based on the accelerated test data; (3) new electrode materials and processing methods that minimize degradation rate; (4) determination of the impact of SOEC electrolyte thickness and electrode composition/microstructure on performance and degradation; (5) determination of the operating conditions where degradation is minimized; and (6) validation of degradation models for extrapolating accelerated test data to predict long-term durability.

08 HYDROGEN↗
DOE OSTI2025

Preliminary Design of Engineering-Scale Salt Accident Analysis Facility to Support Molten Salt Reactor Licensing

Systems-level nuclear accident analysis codes for reactor licensing must be validated using experimental data that represent behaviors expected during actual full-scale accidents. Some behaviors may arise from coupled processes and only manifest at large scales. This report presents the preliminary design of the Salt Accident Analysis Facility (SAAF, pronounced “safe”), which is an experimental test facility to be constructed at Argonne that can be used to conduct integrated salt accident tests at an engineering scale. The measurement capabilities of the SAAF are based on previously developed methods and will provide the representative datasets that are needed to support molten salt reactor (MSR) licensing. Details of the design, the processes to be quantified, the measurement techniques for quantifying the processes, the variables that can be adjusted to simulate different accident scenarios, and operational considerations are presented herein. This report provides stakeholders the opportunity to give feedback on the test facility capabilities and planned analyses before it is constructed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗