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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 235 records · Page 13

Field Sensitivity Analysis of Turbulence Model Parameters for Flow Over a Wing

Reynolds-averaged-Navier-Stokes (RANS) turbulence models are a critical tool in computational-fluid-dynamics simulations of aerodynamic systems, but simulation results can be highly sensitive to RANS-model parameter choices. Sensitivity analysis can be used to quantify these impacts, and the objective of this study is to demonstrate field sensitivity analysis with respect to ten parameters in the 2003 Menter shear-stress-transport (SST) turbulence model. Here, the analysis is demonstrated for an application relevant to wind energy, namely, flow over a NACA 0015 wing at 12 degree angle of attack and a Reynolds number of 1.5 x 10 6 . We quantify sensitivity using Sobol indices and the mean-squared gradient, which are estimated using polynomial chaos and active subspace models, respectively. Our results indicate that there are substantial spatial variations in parameter sensitivities, with different sets of most-sensitive parameters near the wing, as well as in the downstream wake, consistent with the physical interpretations of the turbulence model inputs. We show that, for this particular turbulence model and flow, simultaneous dimension reduction is possible across all quantities of interest, enabling efficient exploration of model outcomes. Ultimately, this analysis provides new insights into turbulence model parameter sensitivities in incompressible flows, and also demonstrates the implementation of field sensitivity analysis for applications relevant to aerodynamics simulations.

17 WIND ENERGY↗

Dissecting the metabolic reprogramming of maize root under nitrogen-deficient stress conditions

The growth and development of maize (Zea mays L.) largely depends on its nutrient uptake through the root. Hence, studying its growth, response, and associated metabolic reprogramming to stress conditions is becoming an important research direction. A genome-scale metabolic model (GSM) for the maize root was developed to study its metabolic reprogramming under nitrogen stress conditions. The model was reconstructed based on the available information from KEGG, UniProt, and MaizeCyc. Transcriptomics data derived from the roots of hydroponically grown maize plants were used to incorporate regulatory constraints in the model and simulate nitrogen-non-limiting (N+) and nitrogen-deficient (N-) condition. Model-predicted flux-sum variability analysis achieved 70% accuracy compared with the experimental change of metabolite levels. In addition to predicting important metabolic reprogramming in central carbon, fatty acid, amino acid, and other secondary metabolism, maize root GSM predicted several metabolites (l-methionine, l-asparagine, l-lysine, cholesterol, and l-pipecolate) playing a regulatory role in the root biomass growth. Furthermore, this study revealed eight phosphatidylcholine and phosphatidylglycerol metabolites which, even though not coupled with biomass production, played a key role in the increased biomass production under N-deficient conditions. Overall, the omics-integrated GSM provides a promising tool to facilitate stress condition analysis for maize root and engineer better stress-tolerant maize genotypes.

Plant Sciences↗

Metabolome and RNA-seq Analysis of Responses to Nitrogen Deprivation and Resupply in Tea Plant (Camellia sinensis) Roots

Nitrogen (N) is an important contributor in regulating plant growth and development as well as secondary metabolites synthesis, so as to promote the formation of tea quality and flavor. Theanine, polyphenols, and caffeine are important secondary metabolites in tea plant. In this study, the responses of Camellia sinensis roots to N deprivation and resupply were investigated by metabolome and RNA-seq analysis. N deficiency induced content increase for most amino acids (AAs) and reduction for the remaining AAs, polyphenols, and caffeine. After N recovery, the decreased AAs and polyphenols showed a varying degree of recovery in content, but caffeine did not. Meanwhile, theanine increased in content, but its related synthetic genes were down-regulated, probably due to coordination of the whole N starvation regulatory network. Flavonoids-related pathways were relatively active following N stress according to KEGG enrichment analysis. Gene co-expression analysis revealed TCS2 , AMT1;1 , TAT2 , TS , and GOGAT as key genes, and TFs like MYB, bHLH, and NAC were also actively involved in N stress responses in C. sinensis roots. These findings facilitate the understanding of the molecular mechanism of N regulation in tea roots and provide genetic reference for improving N use efficiency in tea plant.

Xu, Wenluan↗

Atomistic Simulations of the Elastic Compression of Platinum Nanoparticles

Abstract The elastic behavior of nanoparticles depends strongly on particle shape, size, and crystallographic orientation. Many prior investigations have characterized the elastic modulus of nanoscale particles using experiments or simulations; however their reported values vary widely depending on the methods for measurement and calculation. To understand these discrepancies, we used classical molecular dynamics simulation to model the compression of platinum nanoparticles with two different polyhedral shapes and a range of sizes from 4 to 20 nm, loaded in two different crystal orientations. Multiple standard methods were used to calculate the elastic modulus from stress-vs-strain data for each nanoparticle. The magnitudes and particle-size dependence of the resulting moduli varied with calculation method and, even for larger nanoparticles where bulk-like behavior may be expected, the effective elastic modulus depended strongly on shape and orientation. Analysis of per-atom stress distributions indicated that the shape- and orientation-dependence arise due to stress triaxiality and inhomogeneity across the particle. When the effective elastic modulus was recalculated using a representative volume element in the center of a large nanoparticle, the elastic modulus had the expected value for each orientation and was shape independent. It is only for single-digit nanoparticles that meaningful differences emerged, where even the very center of the particle had a lower modulus due to the effect of the surface. These findings provide better understanding of the elastic properties of nanoparticles and disentangle geometric contributions (such as stress triaxiality and spatial inhomogeneity) from true changes in elastic properties of the nanoscale material.

36 MATERIALS SCIENCE↗

Thermo-Mechanical Distortion of Tungsten-Coated Steel During High Heat Flux Testing Using Plasma Arc Lamps

An experimental setup and a test section were designed and fabricated for high heat flux testing (HHFT) of neutron-irradiated specimens using water-wall plasma arc lamps. Because of the radiological considerations and limitations of reactor irradiation, the size of the test articles was limited to disks less than 10 mm in diameter. The specimen was clamped onto an actively cooled block, and clamping allowed the insertion of several thermocouples on the back surface of the specimen through a copper (Cu) block. Five vacuum plasma sprayed tungsten (W)–coated F82H steel specimens were subjected to HHFT. Surface profilometry measurements, which were conducted after HHFT, revealed central bowing of the top W surface. This type of residual distortion occurred for all of the specimens, and the larger the specimens were, the larger was the distortion.In an attempt to understand specimen distortion and address the science questions related to the testing of subsize specimens during HHFT, a simplified thermo-mechanical model was developed. By using a measured temperature in the Cu as an isothermal boundary condition, the model eliminated the need for coupling cooling fluid flow models with stress models, greatly simplifying the analysis. The main variable in the proposed model is hC, i.e., the thermal contact conductance between the F82H and the Cu washer. Inelastic properties, including hardening properties, were considered for F82H steel and Cu. Numerical simulation results demonstrated a buildup of residual deformation during HHFT and a very complex state of stress and deformation during typical heat flux (HF) cycling. Additionally, hoop stress evolution during a high heat flux cycle reveals that F82H at an interface with W would be mainly in compression during HF application and experienced a transition to a tension state during cooldown. Also, specimen distortion evolves during each HF cycle, as the specimen bows downward during HF application and upward during the cooldown period between HF cycles. The final specimen distortion, i.e., upward bowing of the specimen center, was qualitatively predicted for hC values of 4000 to 5000 W/(m 2 ·K). This hC range of values, for which bulging is obtained, is at the lower spectrum of the range of values for hC, consistent with the low thermal contact conductance expected from the unpolished F82H surface.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Information theory and machine learning illuminate large‐scale metabolomic responses of Brachypodium distachyon to environmental change

SUMMARY Plant responses to environmental change are mediated via changes in cellular metabolomes. However, <5% of signals obtained from liquid chromatography tandem mass spectrometry (LC‐MS/MS) can be identified, limiting our understanding of how metabolomes change under biotic/abiotic stress. To address this challenge, we performed untargeted LC‐MS/MS of leaves, roots, and other organs of Brachypodium distachyon (Poaceae) under 17 organ–condition combinations, including copper deficiency, heat stress, low phosphate, and arbuscular mycorrhizal symbiosis. We found that both leaf and root metabolomes were significantly affected by the growth medium. Leaf metabolomes were more diverse than root metabolomes, but the latter were more specialized and more responsive to environmental change. We found that 1 week of copper deficiency shielded the root, but not the leaf metabolome, from perturbation due to heat stress. Machine learning (ML)‐based analysis annotated approximately 81% of the fragmented peaks versus approximately 6% using spectral matches alone. We performed one of the most extensive validations of ML‐based peak annotations in plants using thousands of authentic standards, and analyzed approximately 37% of the annotated peaks based on these assessments. Analyzing responsiveness of each predicted metabolite class to environmental change revealed significant perturbations of glycerophospholipids, sphingolipids, and flavonoids. Co‐accumulation analysis further identified condition‐specific biomarkers. To make these results accessible, we developed a visualization platform on the Bio‐Analytic Resource for Plant Biology website ( https://bar.utoronto.ca/efp_brachypodium_metabolites/cgi‐bin/efpWeb.cgi ), where perturbed metabolite classes can be readily visualized. Overall, our study illustrates how emerging chemoinformatic methods can be applied to reveal novel insights into the dynamic plant metabolome and stress adaptation.

59 BASIC BIOLOGICAL SCIENCES↗

Residual Stress Modeling with Phase Transformation for Wire Arc Additive Manufacturing of B91 Steel

Wire arc additive manufacturing (WAAM) is an energy-efficient manufacturing technique used for near-net-shape production of functional industrial components. However, heat accumulation during deposition and the associated mechanical and metallurgical changes result in complex residual stress profiles across the cross section of the fabricated components. These residual stresses are detrimental to the service life of the components. In this study, sequentially coupled thermomechanical analysis of WAAM B91 steel is conducted to quantify the residual stress variation across the component. The thermomechanical analysis includes a transient heat transfer model and a static stress model that incorporates the transformation-induced plasticity due to martensitic phase transformation. Here, the experimentally calibrated heat transfer model mirrors the temperature variation of the system during the deposition. The results from the stress model are validated via x-ray diffraction measurements, and the numerical results are in good agreement with the experimental data.

20 FOSSIL-FUELED POWER PLANTS↗

Progressive collapse analysis of stiffened panel structure with consideration of actual welding distortion and residual stresses

To date, inclusion of welding distortion and residual stresses in determining the strength of marine structures is based on empirical formulations due to welding complexity. In this study, a more feasible numerical model was developed from the perspective of inherent strain theory. The accuracy of this simplified numerical model was confirmed by transient thermo-elastic–plastic finite element analysis using a novel dynamic mesh refining and iterative substructure method which is 50 times faster than conventional finite element method. Welding distortion by the two numerical approaches was validated with experimental measurement. The collapse analyses indicated that the inherent strain model predicted a compressive strength and load-displacement curve with high accuracy, as validated by the transient thermo-mechanical model. The global stiffness and the ultimate strength of the welded structure would be overestimated by about 22% if no welding effects were considered. The proposed computation procedure for determining the ultimate strength of welded structures is accurate, simple, and practical and enables improvement of ultimate strength through optimization of welding joint design to reduce the welding residual stress and distortion.

Huang, Hui↗

Investigation of residual stress distribution in wire-arc directed energy deposited refractory molybdenum alloy utilizing numerical thermo-mechanical analysis and neutron diffraction method

Directed energy deposition (DED), a metal additive manufacturing (AM) technique, offers higher deposition rates and energy efficiency, making it suitable for fabricating components from refractory molybdenum alloys, such as molybdenum-titanium-zirconium (TZM). However, large thermal gradients and non-equilibrium thermal cycles in DED could generate high residual stress in the component, potentially deteriorating quality and performance. Thus, this study aims to investigate residual stress generation and its distribution in wire-arc DED of TZM thin-wall, utilizing thermo-mechanical analysis and high-fidelity neutron diffraction (ND) method. Two interpass temperatures (50°C and 200°C) have been considered to investigate their impact on residual stress formation. During experiments, in-situ thermal data has been recorded using thermocouples, which have been utilized for calibrating the thermal model. Thermocouple data shows a good agreement with the simulation results, having a difference of less than 10 %. Post-deposition part deformation has been observed, which is measured using a coordinate measuring machine, showing maximum values of 0.93 mm and 0.78 mm for interpass temperatures of 50°C and 200°C, respectively. Numerical predictions of distortion deviated by less than 15% from the experimental results. ND measurement and simulation results indicate that residual stress magnitude and evolution vary across the TZM deposits, revealing microstructural anisotropy in both conditions. Notably, lower interpass temperatures resulted in higher residual stresses, confirmed by experimental and simulation data. Further, this study demonstrated that an integrated experimental and thermo-mechanical analysis can potentially reveal the temperature history, part deformation, and residual stress formation in wire-arc DED TZM alloy.

36 MATERIALS SCIENCE↗

Estimating Internal Stress of an Alteration Layer Formed on Corroded Boroaluminosilicate Glass through Spectroscopic Ellipsometry Analysis

Aqueous corrosion of glass may result in the formation of an alteration layer in the glass surface of which chemical composition and network structure are different from those of the bulk glass. Since corrosion occurs far below the glass-transition temperature, the alteration layer cannot fully relax to the new structure with the lowest possible energy. Molecular dynamics simulations suggested that such a network will contain highly strained chemical bonds, which can be manifested as a stress in the alteration layer. Common techniques to measure stress in thin films or surface layers were found inadequate for thick monolithic glass samples corroded in water. Here, we explored the use of spectroscopic ellipsometry to test the presence of internal stress in the alteration layer formed by aqueous corrosion of glass. Furthermore, a procedure for analyses of spectroscopic ellipsometry data to determine birefringence in the alteration layer was developed. Findings with the established fitting procedure suggested that a stress builds up in the corroded surface layer of a boroaluminosilicate glass if there is a change in relative humidity, pH, or electrolyte concentration of the environment to which the glass surface is exposed. A similar process may occur in other types of glass, and it may affect the surface properties of corroded glass objects.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Thermomechanical analysis and modeling of a high-temperature light trapping planar cavity solar receiver

The development of durable particle-based high-temperature solar receivers is critical for advancing concentrating solar-thermal (CST) technologies to enable high-efficiency power generation and industrial process heat. Here, this study presents a computational framework to evaluate the thermomechanical performance of a proposed enclosed light-trapping planar cavity receiver designed for particle-based thermal energy systems. The receiver incorporates absorptive cavities and fluidized particle-bed channels to enhance heat capture and reduce thermal losses. Finite element analysis (FEA) is employed to assess stress, strain, and creep-fatigue behavior under concentrated solar flux using realistic thermal boundary conditions derived from coupled system models and experimental assembly parameters. The analysis investigates the influence of particle-to-wall heat transfer coefficients (HTC) ranging from 800 to 1800 W/m 2 .K on the thermomechanical response of six candidate high-temperature alloys: Alloy 740H, Alloy 282, Alloy 617, 316H, Alloy 230, and 800H. Results show that increasing HTC reduces thermal gradients, leading to lower stresses and strains and extended minimum predicted creep life. While all materials satisfy fatigue life requirements under the investigated conditions, significant differences in creep resistance are observed. Alloy 740H consistently exhibits the longest minimum predicted creep life and the most favorable durability margins, followed by Alloy 282, with the remaining materials showing reduced creep resistance under identical loading. The reported creep lives are conservative lower-bound estimates intended for comparative material evaluation. This framework highlights the critical roles of material selection and geometry optimization in improving mechanical durability and reliability of solar-thermal receivers, forming a foundation for future experimental validation and design optimization.

14 SOLAR ENERGY↗

Design optimization of lightweight automotive seatback through additive manufacturing compression overmolding of metal polymer composites

With the growing demand for enhanced automotive fuel efficiency and environmental sustainability, there is a need for lightweighting automotive components through innovative design and manufacturing processes. Here, this study leverages a combination of numerical iterative design optimization and hybrid additive manufacturing–compression molding (AM-CM) technique for metal polymer composites to lightweight an automotive seatback. The AM-CM process enables robust mechanical interlocking between metals and composites, boasting high stiffness and strength with low overall density. Replacing metallic components with such metal polymer composites allows for comparable mechanical performance while significantly reducing the overall weight. First, the automotive seatback design space is reduced to critical load carrying regions using topology optimization and high stress concentration areas are identified using finite element analysis. Next, a lightweight metal polymer subcomponent is designed for a high stress concentration region. The full seatback frame with spatially heterogeneous material-specific design is then iteratively optimized to enable enhanced stiffness with minimal weight. Overall, the automotive seatback frame designed with location-specific metal, polymer, and metal polymer composite materials weighs 20% less than the metal-only design while exhibiting similar stiffness.

36 MATERIALS SCIENCE↗

Defining weather scenarios for simulation-based assessment of thermal resilience of buildings under current and future climates: A case study in Brazil

In response to increasingly severe weather conditions, optimization of building performance and investment provides an opportunity to consider co-benefits of thermal resilience during energy efficiency retrofits. This work aims to assess thermal resilience of buildings using building performance simulation to evaluate the indoor overheating risk under nine weather scenarios, considering historical (2010s), mid-term future (2050s), and long-term future (2090s) typical meteorological years, and heat wave years. Such an analysis is based on resilience profiles that combine six integrated indicators. A case study with a district of 92 buildings in Brazil was conducted, and a combination of strategies to improve thermal resilience was identified. Results reflect the necessity of planning for resilience in the context of climate change. This is because strategies recommended under current conditions might not be ideal in the future. Therefore, an adaptable design should be prioritized. Cooling energy consumption could increase by 48 % by the 2050s, while excessive overheating issues could reach 37 % of the buildings. Simple passive strategies can significantly reduce the heat stress. A comprehensive thermal resilience analysis should ultimately be accompanied by a thorough reflection on the stakeholders’ objectives, available resources, and planning horizon, as well as the risks assumed for not being resilient.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Neutron and photon in-vivo materials characterization at the evolving plasma-material interface in plasma-burning fusion environments

This report includes the first set of MOSS data collected in the context of fusion-relevant plasma-material interactions. The data collected show that the surface curvature and stress irreversibly change during low-energy deuterium ion irradiation. This holds for both tungsten thin films, bulk tungsten, and single-crystal silicon. Meanwhile, argon irradiation did not produce this same effect. The surface morphology of the exposed samples was virtually identical regardless of gas species. There were, however, some surface chemistry differences between argon-exposed and deuterium-exposed samples, mainly concerning the oxide states of the W4f XPS signal. The changes in surface chemistry could be due to hydrogen dynamics on the tungsten surfaces, though further investigation will be required with in-situ irradiation and analysis. The changes in surface stress could also not be explained by temperature alone, as the temperature reached during the ion irradiations was too low to induce non-elastic strain. With this in mind, deuterium retention in the materials could change the surface curvature and stress. To confirm this, further work will be needed to quantify the change in curvature and relate it to ion flux, fluence, and deuterium retention. Unfortunately, when this work was conducted, the experimental setup for thermal desorption spectroscopy was not operating correctly, and that work could not be included in this dissertation. Despite experimental difficulties, this work shows the first results of a promising technique to study deuterium dynamics in tungsten-based reconstituted thin films.

36 MATERIALS SCIENCE↗