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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A comprehensive framework for validating simulation models of power system equipment using terminal measurements

Accurate simulation of power-plants is essential to the planning and operation of modern power grids. The current methods used to periodically check power-plant simulation models have many open questions about their limitations and accuracy. The research in this project explored using Monte-Carlo Experimentation (MCE) as a means for answering these important questions.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Progress in the HTTF Benchmark and RELAP5-3D Gas-Cooled Reactor Validation

This slide set presents results of analysis done in the first year after the kickoff of the HTTF benchmark. This work includes the development of a new RELAP5-3D model of the facility and collection and presentation of results from one of the exercises in the benchmark. Highlights include good agreement between the new and legacy models for full-power steady state and similar predictions of maximum block temperature during a pressurized conduction cooldown. Additionally, code-to-code comparisons of a full-power steady state and depressurized conduction cooldown (DCC) from full-power steady state as part of Problem 2 Exercises 1A and 1B show good agreement on temperatures predicted in the core but considerable spread in central reflector temperatures. During the DCC, temperature behavior is similar across all models, but cooldown rates are dictated by the performance of the reactor cavity cooling system

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Validation and Mechanistic Studies of the Headspace Effect in MOF Synthesis

Abstract The influence of headspace volume and composition on metal–organic framework (MOF) synthesis has been largely overlooked with no mechanisms currently invoking these factors. Herein, we reveal that an increased volume of oxygen in the headspace during the synthesis of zinc carboxylate‐based MOFs (MOF‐5, MOF‐177, and IRMOF‐8) as well as UiO‐66 and ZJU‐28 accelerates crystal formation. Investigation into the underlying mechanism of this phenomenon elucidates the critical roles played by all reagents, and some of their byproducts, in MOF synthesis. These insights are the key to developing more efficient and sustainable synthetic strategies for MOF production.

Donovan, Julia C. [Department of Chemistry Institu↗
DOE OSTI2025

Validation and Mechanistic Studies of the Headspace Effect in MOF Synthesis

Abstract The influence of headspace volume and composition on metal–organic framework (MOF) synthesis has been largely overlooked with no mechanisms currently invoking these factors. Herein, we reveal that an increased volume of oxygen in the headspace during the synthesis of zinc carboxylate‐based MOFs (MOF‐5, MOF‐177, and IRMOF‐8) as well as UiO‐66 and ZJU‐28 accelerates crystal formation. Investigation into the underlying mechanism of this phenomenon elucidates the critical roles played by all reagents, and some of their byproducts, in MOF synthesis. These insights are the key to developing more efficient and sustainable synthetic strategies for MOF production.

Donovan, Julia C. [Department of Chemistry Institu↗
DOE OSTI2024

CI/CD Efforts for Validation, Verification and Benchmarking OpenMP Implementations

Software developers must adapt to keep up with the changing capabilities of platforms so that they can utilize the power of High-Performance Computers (HPC), including exascale systems. OpenMP, a directive-based parallel programming model, allows developers to include directives to existing C, C++, or Fortran code to allow node level parallelism without compromising performance. This paper describes our CI/CD efforts to provide easy evaluation of the support of OpenMP across different compilers using existing testsuites and benchmark suites on HPC platforms. Our main contributions include (1) the set of a Continuous Integration (CI) and Continuous Development (CD) workflow that captures bugs and provides faster feedback to compiler developers, (2) an evaluation of OpenMP (offloading) implementations supported by AMD, HPE, GNU, LLVM, and Intel, and (3) evaluation of the quality of compilers across different heterogeneous HPC platforms. With the comprehensive testing through the CI/CD workflow, we aim to provide a comprehensive understanding of the current state of OpenMP (offloading) support in different compilers and heterogeneous platforms consisting of CPUs and GPUs from NVIDIA, AMD, and Intel.

Jarmusch, Aaron↗
DOE OSTI2025

Field validation of dynamic mechanical torque measurements using fiber-optic strain sensors for geared wind turbines

Abstract Accurate knowledge of the mechanical loads of wind turbine gearboxes has become essential in modern, highly loaded gearbox designs, as maintaining or even improving gearbox reliability with increasing torque density demands is proving to be challenging. Unfortunately, the traditional method of measuring dynamic mechanical torque using strain gauges placed on the outer surface of a rotating shaft and transmitting the resulting signal is unsuitable for serial deployment due to technical and economic constraints. An alternative method based on fiber-optic strain sensors placed on the stationary outer surface of the gearbox ring gear has been proposed. Like shaft torsion, the radial deformation of the ring gear is proportionate to the rotor torque. Placing the sensors on a stationary component is a cost-effective alternative for serial implementation because the need for complex and expensive data transfer via wireless transmission or a slip ring is eliminated. In this paper, we present the results of an extensive field experiment conducted to evaluate the torque measurement accuracy of this novel sensing solution installed on the gearbox of a Gamesa G97 2-MW wind turbine at the National Renewable Energy Laboratory’s Flatirons Campus. Torque measurements derived from fiber-optic strain sensors placed on the ring gear of the planetary stage are compared to conventional torque measurements from strain gauges placed on the main shaft. Two different torque estimation data processing methods were evaluated, with the method based on operational deflection shapes providing the most accurate results with an average normalized root mean square error below 0.7% for a load revolution distribution analysis. The effect of operating conditions on the torque estimate was also investigated, and the third planet-passing operational deflection shape was found to be the least sensitive to nontorque load-related effects. The fiber-optic strain sensors’ successful operation during the complete test campaign has demonstrated a robust and accurate solution for fleet-wide enhanced gearbox remaining useful life estimation.

17 WIND ENERGY↗
DOE OSTI2024

Formulation, Implementation and Validation of a 1D Boundary Layer Inflow Scheme for the QUIC Modeling System

Recent studies have highlighted the importance of accurate meteorological conditions for urban transport and dispersion calculations. In this work, we present a novel scheme to compute the meteorological input in the Quick Urban & Industrial Complex () diagnostic urban wind solver to improve the characterization of upstream wind veer and shear in the Atmospheric Boundary Layer (ABL). The new formulation is based on a coupled set of Ordinary Differential Equations (ODEs) derived from the Reynolds Averaged Navier–Stokes (RANS) equations, and is fast to compute. Building upon recent progress in modeling the idealized ABL, we include effects from surface roughness, turbulent stress, Coriolis force, buoyancy and baroclinicity. We verify the performance of the new scheme with canonical Large Eddy Simulation (LES) tests with the GPU-accelerated FastEddy"Equation missing" solver in neutral, stable, unstable and baroclinic conditions with different surface roughness. Furthermore, we evaluate QUIC calculations with and without the new inflow scheme with real data from the Urban Threat Dispersion (UTD) field experiment, which includes Lidar-based wind measurements as well as concentration observations from multiple outdoor releases of a non-reactive tracer in downtown New York City. Compared to previous inflow capabilities that were limited to a constant wind direction with height, we show that the new scheme can model wind veer in the ABL and enhance the prediction of the surface cross-isobaric angle, improving evaluation statistics of simulated concentrations paired in time and space with UTD measurements.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Validation of Hole-Drilling Residual Stress Measurements in Workpieces of Various Thickness

A recent revision to the ASTM E837 standard for near-surface residual stress measurement by the hole-drilling method describes a new thickness-dependent stress calculation procedure applicable to “thin” and “intermediate” workpieces for which strain versus depth response depends on workpiece thickness. This new calculation procedure differs from that of the prior standard, which applies only to thick workpieces with strain versus depth response independent of thickness. Herein we assess the new calculation procedures by performing hole-drilling residual stress measurements in samples with a range of thickness. Near-surface residual stress is measured in a thick aluminum plate containing near-surface residual stress from a uniform shot peening treatment, and in samples of different thickness removed from the plate at the peened surface. A finite element (FE) model is used to assess consistency between measured residual stress across the range of sample thickness. Measured residual stress varies with sample thickness, with thinner samples exhibiting smaller near-surface compressive stress and a larger gradient of subsurface stress. These trends are consistent with both observed bending (curvature) of the removed samples and the trend in FE-calculated expected residual stress. The measured and expected residual stresses are in good agreement for samples of intermediate thickness, but the agreement decreases with sample thickness. Measured residual stress is invariant with gage circle diameter. The new thickness-dependent stress calculation procedure for hole-drilling provides meaningful improvement compared to thick-workpiece calculations.

42 ENGINEERING↗
DOE OSTI2024

Implementation and validation of optimal start control strategy for air conditioners and heat pumps

Commercial buildings are responsible for approximately 20 % of the total energy consumption and greenhouse gas emissions in the United States. Over 85 % of these buildings lack building automation systems, and many are small (<50,000 square feet), underserved, and use rooftop units (RTUs) for heating, ventilation, and air-conditioning needs. Because these buildings lack proper energy management systems, several operational deficiencies lead to excess energy consumption. Studies have shown that managing the RTUs’ heating and cooling set points, schedules, setbacks, and optimal start can result in a 20 % to 25 % reduction in electricity consumption in small commercial buildings. These buildings typically use fixed schedules to start the RTUs 60 to 120 min before occupancy begins, which results in excess energy consumption. This paper presents research that demonstrates and evaluates the performance of four optimal start methods, which utilize data-based modeling as a key element in facilitating adaptive control in response to time-varying inputs while requiring minimal sensor inputs. The evaluation found energy savings in two commercial buildings equipped with RTUs by periodically alternating four different optimal start models during the cooling and heating season. The resulting energy savings are positive for all models and range from 2 to 5 kWh/day/unit. The units on the east side of the building showed higher savings, while interior units showed greater variability in savings due to the differences in capacities and room sizes. Savings were considerably greater during the heating season compared to the cooling season. The performance of all four models on Mondays was poor; models suggested a shorter optimal start time, which resulted in relatively larger errors. Finally, the future work will look at using a different model for the days after weekends and holidays.

42 ENGINEERING↗
DOE OSTI2024

Intensified biogas to liquid (IBGTL) Process: Experimental validation and modeling analysis

The Intensified Biogas to Liquid (IBGTL) process aims to overcome traditional economy-of-scale barriers in biogas-to-liquid fuel production by integrating bi-reforming and Fischer-Tropsch synthesis (FTS) in a single IBGTL reactor. This reactor operates at uniform pressure with different optimized temperatures across two zones for efficient conversion, utilizing multifunctional bi-reforming catalysts and high-temperature FTS catalysts. Bench scale experiments were carried out using landfill gas (LFG) in a single pass process, and the yield data from these experiments were fed into process scale-up design and techno-economic analysis (TEA) across four scenarios: (1) a single pass process, (2) a process with material recycling, (3) a process with liquefied petroleum gas (LPG) co-product recovery, and (4) a process with electricity generation from the fuel gas produced. TEA identified Scenario 2 as the most cost-effective, achieving a Minimum Fuel Selling Price (MFSP) of $\$4.59$ per gallon, competitive with the current national diesel price of $\$4.7$ per gallon. However, comparison with the conventional two-reactor system highlights the need for catalyst performance improvements. Sensitivity analysis emphasized the importance of manufacturing cost, liquid fuel yield, and biogas flow rate. Further analysis determined that the IBGTL process must achieve a diesel mass yield beyond 11.7% to surpass the economic viability of the conventional TriFTS (Tri-reforming followed by Fischer-Tropsch Synthesis) process. If the IBGTL process attains the TriFTS yield of up to 17%, the resulting MFSP could be approximately 31% lower than the current TriFTS MFSP. Furthermore, renewable energy credits and carbon credits can further enhance the economic viability of BGTL processes.

09 BIOMASS FUELS↗
DOE OSTI2024

Bioelectrochemical reactor to manage anthropogenic sulfate pollution for freshwater ecosystems: Mathematical modeling and experimental validation

Anthropogenic sulfate loading into otherwise low-sulfate freshwater systems can cause significant ecological consequences as a biogeochemical stressor. To address this challenge, in situ bioremediation technologies have been developed to leverage naturally occurring microorganisms that transform sulfate into sulfide rather than implementing resource-intensive physio-chemical processes. However, bioremediation technologies often require the supply of electron donors to facilitate biological sulfate reduction. Bioelectrochemical systems (BES) can be an alternative approach for supplying molecular hydrogen as an electron donor for sulfate-reducing bacteria through water electrolysis. Although the fundamental mechanisms behind BESs have been studied, limited research has evaluated the design and operational parameters of treatment systems when developing BESs on a scale relevant to environmental systems. Further, this study aimed to develop an application-based mathematical model to evaluate the performance of BESs across a range of reactor configurations and operational modes. The model was based on sulfate transformation by hydrogenotrophic sulfate-reducing bacteria coupled with the recovery of solid iron sulfide species formed by the oxidative dissolution of dissolved ferrous iron from a stainless steel anode. Sulfate removal closely corresponded to the rate of electrolytic hydrogen production and hydraulic residence time but was less sensitive to specific microbial rate constants. The mathematical model results were compared to experimental data from a pilot-scale BES tested with nonacidic mine drainage as a case study. The close agreement between the mathematical model and the pilot-scale BES experiment highlights the efficacy of using a mathematical model as a tool to develop a conceptual design of a scaled-up treatment system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

A sustainable cobalt separation with validation by techno-economic analysis and life-cycle assessment

Sustainable, cost-effective cobalt/nickel separations chemistry contributes to the realization of economically competitive lithium-ion battery recycling, as well as primary mining of cobalt and nickel. Such improvements can address supply chain challenges for cobalt, a critical element. Herein, we disclose a simple method for separating Co/Ni by second coordination-sphere molecular recognition. Selective cobalt precipitation is achieved using carbonate ions in an ammonia solution due to the outer-sphere, hydrogen bonding interactions between [Co(NH 3 ) 6 ] 3+ and CO 3 2− , evaluated with density functional theory calculations. We demonstrate this method on mixtures of Co/Ni chlorides comprising a 10-fold excess of Ni and provide comparisons with ore-processing systems. High purities (99.4(3)% Co; 98.2(4)% Ni) and recoveries (77(8)% Co; ∼100% Ni) were observed for both Co- and Ni-enriched products using optimized conditions. In conclusion, this method is potentially economically competitive based on initial techno-economic analysis (TEA) and life-cycle assessment (LCA) that also illustrate advantages in terms of sustainability.

cobalt↗