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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 937 records · Page 52

Hierarchical Bayesian modeling for Inverse Uncertainty Quantification of system thermal-hydraulics code using critical flow experimental data

The best estimate plus uncertainty methodology in nuclear system thermal-hydraulic studies necessitates a comprehensive understanding of uncertainties in system code predictions. The forward uncertainty quantification (UQ) process involves the propagation of input uncertainties through the computational models to obtain uncertainties in the outputs. To this end, achieving an accurate estimation of input uncertainties is important, which is the focus of inverse UQ (IUQ). Traditionally, research in Bayesian IUQ within the nuclear engineering domain has largely relied on single-level Bayesian inference. While being effective for relatively small datasets, this approach encounters limitations for cases with large datasets. The use of a single-level model may prove inefficient, as the resultant posterior distributions can significantly differ when distinct subsets of data are employed. To address this issue, we employ an hierarchical Bayesian model for IUQ. Furthermore, this approach involves organizing observations into different groups based on the test conditions, thereby accommodating varying calibration parameters across these distinct groups. In this study, we developed and implemented a hierarchical Bayesian IUQ method to consider the grouping effect of critical flow measurement data from various geometries. Comparing the outcomes of IUQ under different selections of test data using hierarchical Bayesian IUQ against those obtained from single-level Bayesian IUQ, the forward propagation of hierarchical Bayesian IUQ results demonstrates a notably improved agreement with the experimental data.

42 ENGINEERING↗

Vortex Flow and Cavitation in Liquid Injection: A Comparison between High-Fidelity CFD Simulations and Experimental Visualizations on Transparent Nozzle Replicas

Experimental instantaneous shadowgraph visualizations on transparent glass nozzle replicas of high-pressure fuel injectors have been used to validate a novel in-house high-fidelity LES-VOF multiphase solver, to study the evolution of vortex flow and fuel cavitation. Both experiments and simulations capture the formation of an unsteady vapor structure inside the nozzle volume, which is referred to as 'string-cavitation'; strings are found at the core of the recirculation zones. Furthermore, high-fidelity simulations provide a very detailed insight into the vortex generation in the injector nozzle; strings appear within the time scales that are relevant for fast injection events (on the order of 0.1 milliseconds) and, for the problem under consideration, their generation seems mostly related to the flow pattern in the sac. It is also shown that vortexes interact, merge till they disrupt and favor the temporary inception of shear cavitation.

3-phase LES-VOF solver↗

Experimentally validated high-fidelity simulations of a liquid jet in supersonic crossflow

Here, utilizing recent advancements in computational schemes for compressible, multiphase flows, this work features a parametric study of a pure liquid jet in supersonic crossflow that involves simulating the atomization process for four values of momentum-flux ratio. These simulations are validated against experimental results measured with high-speed X-ray imaging, which confirm the accuracy of the numerical approach. Also, the effect of numerical resolution on some flow behavior is investigated, revealing convergence of the jet shape and surface instability wavelength. Analysis of the resulting sprays includes statistical descriptions of the liquid distribution, liquid structures created through breakup, interfacial instabilities, and dominant flow features. As the flowrate increases, the spray penetrates further, it becomes more disperse, and less liquid impacts the wall, but the droplet size distribution changes little. The wavelength of instabilities on the windward side of the jet diverges from measured trends in subsonic crossflows. In a visualization of the time-averaged flow, counter-rotating vortices are observed along the jet core and in the wake, affecting the process of primary atomization and early droplet trajectories.

42 ENGINEERING↗

An experimentally validated evaporative phase change heat transfer model for low mass flux applications using R134a in plate heat exchangers

Plate frame heat exchangers are common in liquid-coupled vapor compression systems due to their compactness and ease of maintenance. In some of these systems, the refrigerant within the evaporator can enter the heat exchanger as a subcooled liquid. As a result, the refrigerant passes through three different phases: single-phase liquid, two-phase fluid, and a superheated vapor. Unfortunately, there have been limited prior studies that have identified the best method to predict performance under these circumstances. Furthermore, previous investigations have not evaluated refrigerant evaporation in large industrial sized plate frame heat exchangers under conditions experienced in the present study experimental test facility, especially at mass fluxes below 7 kg m –2 s –1 . In the present investigation, a model was developed to predict the performance of plate and frame heat exchangers when the fluid enters as a subcooled liquid and exits as a superheated vapor. The model used full-sized plate heat exchanger geometry that was discretized into 20 sections to accurately capture local heat transfer and pressure drop effects. The model was validated using an R134a counter flow heat exchanger used in a turbo-compression cooling system test facility that had subcooled liquid entering the evaporator at low mass fluxes. A variety of empirical correlations were evaluated to determine what combination yielded the best predictive capability over the following range of conditions: 5.8 < G < 6.8 kg m –2 s –1 , 2 < q” < 2.8 kW m –2 , and 10 °C < T sat < 15 °C. When the correlations used a fixed control volume length in the heat flux calculation, the most accurate combination resulted in a mean absolute error of 5.5%. Finally, future studies can use the approach described here to optimize heat exchanger size and performance.

42 ENGINEERING↗

COVID 19 vaccine distribution solution to the last mile challenge: Experimental and simulation studies of ultra-low temperature refrigeration system

Most COVID-19 vaccines require ambient temperature control for transportation and storage. Both Pfizer and Moderna vaccines are based on mRNA and lipid nanoparticles requiring low temperature storage. The Pfizer vaccine requires ultra-low temperature storage (between -80 °C and -60 °C), while the Moderna vaccine requires -30 °C storage. Pfizer has designed a reusable package for transportation and storage that can keep the vaccine at the target temperature for 10 days. However, the last stage of distribution is quite challenging, especially for rural or suburban areas, where local towns, pharmacy chains and hospitals may not have the infrastructure required to store the vaccine. Also, the need for a large amount of ultra-low temperature refrigeration equipment in a short time period creates tremendous pressure on the equipment suppliers. In addition, there is limited data available to address ancillary challenges of the distribution framework for both transportation and storage stages. As such, there is a need for a quick, effective, secure, and safe solution to mitigate the challenges faced by vaccine distribution logistics. The study proposes an effective, secure, and safe ultra-low temperature refrigeration solution to resolve the vaccine distribution last mile challenge. Furthermore, the approach is to utilize commercially available products, such as refrigeration container units, and retrofit them to meet the vaccine storage temperature requirement. Both experimental and simulation studies are conducted to evaluate the technical merits of this solution with the ability to control temperature at -30 °C or -70 °C as part of the last mile supply chain for vaccine candidates.

60 APPLIED LIFE SCIENCES↗

Optimization of a Packed Particle Magnetocaloric Refrigerator: A Combined Experimental and Theoretical Study

Magnetocaloric refrigeration has strong potential towards achieving high efficiency hydrogen liquefaction. Optimising parameters such as particle size and operating cycles can have a significant impact on liquefaction performance. Here, this work reports on a room temperature magnetocaloric refrigeration prototype designed with helium as the heat transfer fluid and packed particle Gd 0.8875 Ce 0.1025 Si 0.84 Cr 0.19 as the refrigerant. The temperature spans and cooling power with three different particle sizes at two different operating cycles were measured. A maximum temperature span of 16.7 K and a maximum cooling power of 8.6 W·kg –1 were obtained. Reduction of performance in the faster cycle was observed in larger particles due to insufficient thermal diffusion time and its implications for cryogenic temperatures are discussed. A numerical model was developed based on the experimentally observed variation of the temperature span and cooling power with particle size and cycle duration. This model was then used to study the competing effects of viscous dissipation and thermal diffusion for different particle sizes and cycle durations.

08 HYDROGEN↗

Experimental investigation of multi-scale strain-field heterogeneity in rocks

Rocks have inherently heterogeneous micro-structures. The mechanical response of these heterogeneous micro-structures primarily governs the overall macroscopic behavior of intact rocks, as these features cause heterogeneity in the distribution of stress and strain within a rock volume. These attributes have generally been studied through numerical tools, but in this study, the stress-induced multi-scale spatial heterogeneity in the strain-field of three types of rocks was analyzed experimentally. The full-field non-contact strain measurement approach of 2D Digital Image Correlation (DIC) was employed for real-time evaluation of the progression of strain-field heterogeneity across the surface of the rock specimens when subjected to uniaxial compression. The results show that the strain-field heterogeneity is a characteristic of the inherent heterogeneity of the rock specimens, and that it amplifies with the magnitude of stress applied on the rock specimens. The changes in the strain-field heterogeneity with loading were consistent with established microcrack evolution processes in the rock specimens. The statistical fluctuation in the strain-field heterogeneity of the three rocks at varying gauge lengths (GL) was then analyzed for the determination of the Representative Volume Element (RVE) length-scale at increasing load levels. The evolution of the RVE length-scale with loading facilitates an objective way of determination of the stress at which the strain-field heterogeneity increases and begins to influence the overall global response of the material. The RVE length-scale variation with loading showed that at the RVE length-scale reaches the specimen-scale at load levels well below the peak strength.

2D-digital image correlation↗

Adaptively remeshed multiphysical modeling of resistance forge welding with experimental validation of residual stress fields and measurement processes

Welding processes used in the production of pressure vessels impart residual stresses in the manufactured component. Computational modeling is critical to predicting these residual stress fields and understanding how they interact with notches and flaws to impact pressure vessel durability. Here, in this work, we present a finite element model for a resistance forge weld and validate it using laboratory measurements. Extensive microstructural changes, near-melt temperatures, and large localized deformations along the weld interface pose significant challenges to Lagrangian finite element modeling. The proposed modeling approach overcomes these roadblocks in order to provide a high-fidelity simulation that can predict the residual stress state in the manufactured pressure vessel; a rich microstructural constitutive model accounts for material recrystallization dynamics, a frictional-to-tied contact model is coordinated with the constitutive model to represent interfacial bonding, and adaptive remeshing is employed to alleviate severe mesh distortion. An interrupted-weld approach is applied to the simulation to facilitate comparison to displacement measures. Several techniques are employed for residual stress measurement in order to validate the finite element model: neutron diffraction, the contour method, and the slitting method. Model-measurement comparisons are supplemented with detailed simulations that reflect the configurations of the residual-stress measurement processes themselves. The model results show general agreement with experimental measurements, and we observe some similarities in the features around the weld region. Factors that contribute to model-measurement differences are identified. Finally, we conclude with some discussion of the model development and residual stress measurement strategies, including how to best leverage the efforts put forth here for other weld problems.

36 MATERIALS SCIENCE↗

Experimental investigation and thermodynamic modeling of the binary Pt–Sn system

Here, the thermodynamics of the Pt–Sn system is revisited with attention to phase equilibria involving PtSn 4 , a topological quantum material with interesting physical properties. The phase relationship in the Sn-rich region of the Pt–Sn binary system was investigated by a combination of differential scanning calorimetry and equilibration experiments. Based on the present experiments and a critical evaluation of the available thermodynamic and phase diagram data reported in the literature, thermodynamic assessments of the entire Pt–Sn system were performed using the CALPHAD approach. Two sets of thermodynamic parameters were optimized, where the liquid phase was described using the Bragg-Williams random mixing model and the associate solution model, respectively. The modeling results are compared with the reliable experimental data and are shown to provide good representations of the phase equilibria and thermodynamic properties in this system.

36 MATERIALS SCIENCE↗

Experimental and computational kinetics study of the liquid-phase hydrogenation of C=C and C=O bonds

Solvent effects on adsorption equilibrium and reaction kinetics are evaluated for hydrogenation reactions catalyzed by Pd/alumina in a series of different solvents. Three reactants – cyclohexene, benzene and benzaldehyde – and three solvents – n-heptane (HEP), methylcyclohexane (MCHA), decalin (DL) – have been investigated. Kinetic analysis of hydrogenation of cyclohexene reveals that hydrogen adsorbs on different sites from those where cyclohexene and the solvents adsorb; however, the presence of hydrogen on these separate sites affects the heats of adsorption of the hydrocarbons. When the solvent is a weakly interacting linear alkane (HEP), the rate determining step of the reaction is the first hydrogenation of adsorbed cyclohexene. Furthermore, this conclusion is supported by DFT calculations that show a higher enthalpy barrier for the first hydrogenation than for the second, while statistical thermodynamics analysis validates the physical significance of the entropy of adsorption parameters derived from the kinetic fitting of experimental data. By contrast, with solvents such as MCHA and DL, which interact more strongly with the metal surface and compete for active sites with the reactant and the surface intermediate, the rate limiting step seems to shift to the second hydrogenation step.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A combined experimental and crystal plasticity study of grain size effects in magnesium alloys

This work presents a method to incorporate the micro Hall-Petch equation into the crystal plasticity finite element (CPFE) framework accounting for the microstructural features to understand the coupling between grain size, texture, and loading direction in magnesium alloys. The effect of grain size and texture is accounted for by modifying the slip resistances of individual basal and prismatic systems based on the micro Hall-Petch equation. The modification based on the micro Hall-Petch equation endows every slip system at each microstructural point with a slip system-level grain size and maximum compatibility factor, which are in turn used to modify the slip resistance. While the slip-system level grain size is a measure of the grain size, the maximum compatibility factor encodes the effect of the grain boundary on the slip system resistance modification and is computed based on the Luster-Morris factor. The model is calibrated using experimental stress-strain curves of Mg-4Al samples with three different grain sizes from which the Hall-Petch coefficients are extracted and compared with Hall-Petch coefficients predicted using original parameters from previous work. The predictability of the model is then evaluated for a Mg-4Al sample with different texture and three grain sizes subjected to loading in different directions. The calibrated parameters are then used for some parametric studies to investigate the variation of Hall-Petch slope for different degrees of simulated spread in basal texture, variation of Hall-Petch slope with loading direction relative to basal poles for a microstructure with strong basal texture, and variation of yield strength with change in grain morphology. The proposed approach to incorporate the micro Hall-Petch equation into the CPFE framework provides a foundation to quantitatively model more complicated scenarios of coupling between grain size, texture and loading direction in the plasticity of Mg alloys.

Crystal plasticity↗

Behavioral simulations and experimental evaluations of stress induced spatial nonuniformity of dynamic bulk modulus in additive friction stir deposited AA 6061

Additive friction stir deposition (AFSD) is a rapidly developing solid-state additive manufacturing (AM) technology that enables the fabrication of customized products on a relatively large scale. The unique forge-liked process offers high quality products with refined equiaxed microstructure and exceptional mechanical performance. However, in AFSD, the spatially distributed mechanical properties within a deposited layer have not been established so far, due to the lack of a suitable large-scale mapping method. In the present work, an ultrasonic dynamic-elasticity mapping method was employed to map the distribution of physical properties in a AFSD 6061 Al. Strong spatial asymmetries in elastographies were mainly due to the residual stresses. The origin of the asymmetries was investigated through thermo-mechanical simulations of the AFSD process. It was observed that majority of the asymmetries were associated with the mechanical residual stresses instead of the symmetric thermal residual stresses during linear deposition of the AFSD process. However, the thermal residual stresses can be manipulated to become asymmetric with a 90° turn in the linear deposition path, due to the difference between the levels of cooling along the edges of the inner and outer corners. Hence, the mechanical and thermo-mechanical residual stresses can be additive or subtractive depending on the direction of the turns. Here, such numerically predicted behaviors were also experimentally observed on the AFSD fabricated samples by ultrasonic elastography. Furthermore, additional preliminary studies on multi-layer AFSD fabrications show the asymmetric mechanical stresses generated during the deposition process on different layers generate constructive or destructive interference which results to spatially variable dynamic bulk modulus depending on the deposition orientations of layers.

36 MATERIALS SCIENCE↗

Integrated simulation, machine learning, and experimental approach to characterizing fracture instability in indentation pillar-splitting of materials

Measuring fracture toughness of materials at small scales remains challenging due to limited experimental testing configurations. A recently developed indentation pillar-splitting method has shown promise of improved flexibility in fracture toughness measurements at the microscale, partly due to the occurrence of an unusual fracture instability, i.e., a transition from stable to unstable crack propagation. In spite of growing interest in this method, the underlying mechanism of this phenomenon is yet to be elucidated. Furthermore, we provide a comprehensive description of fracture instability in indentation pillar-splitting by combining in situ experiments with high-fidelity simulations based on cohesive zone and J-integral methods. In addition, a machine-learning-based solution for predicting the critical indentation load of fracture instability is established through Gaussian processes regression for broad use of this method by the community.

36 MATERIALS SCIENCE↗

Correlative nano-imaging of metals and proteins in primary neurons by synchrotron X-ray fluorescence and STED super resolution microscopy: Experimental validation

It is becoming increasingly clear that biological metals such as iron, copper or zinc are involved in synaptic functions, and in particular in the mechanisms of synaptogenesis and subsequent plasticity. Understanding the role of metals on synaptic functions is a difficult challenge due to the very low concentration of these elements in neurons and to the submicrometer size of synaptic compartments. To address this challenge we have developed a correlative nano-imaging approach combining metal and protein detection. First, stimulated emission depletion (STED) microscopy, a super resolution optical microscopy technique, is applied to locate fluorescently labeled proteins. Then, synchrotron radiation induced X-ray fluorescence (SXRF) is performed on the same regions of interest, e.g. synaptic compartments. Here, we present here the principle scheme that allows this correlative nano-imaging and its experimental validation. We applied this correlative nano-imaging to the study of the physiological distribution of metals in synaptic compartments of primary rat hippocampal neurons. We thus compared the nanometric distribution of metals with that of synaptic proteins, such as PSD95 or cytoskeleton proteins. Compared to correlative imaging approaches currently used to characterize synaptic structures, such as electron microscopy correlated with optical fluorescence, our approach allows for ultra-sensitive detection of trace metals using highly focused synchrotron radiation beams. We provide proof-of-principle for correlative imaging of metals and proteins at the synaptic scale and discuss the present limitations and future developments in this area.

59 BASIC BIOLOGICAL SCIENCES↗

Methane foam performance evaluation in water-wet unconsolidated porous media: A systematic experimental investigation at elevated pressure and temperature conditions

In the petroleum industry, enhanced oil recovery (EOR) techniques employ foam extensively to establish conformance control in heterogeneous and fractured reservoirs in order to increase the sweep efficiency. In such applications, foam performance evaluation under complex subsurface conditions is pivotal for the effective and optimized deployment of foam treatment. However, there is a scarcity of hydrocarbon gas foam generation and evaluation studies that examine the relationships between foam performance and the critical foam parameters at high-pressure and high-temperature conditions. Here, this study aims at methodically investigating the effects of several foam parameters on methane foam performance in water-wet proppant packs under harsh operating conditions. This is in relation to the technical needs of hydrocarbon foam injection into hydraulically-induced, propped fractures in unconventional oil reservoirs. To this end, a state-of-the-art experimental foam generation apparatus was designed, fabricated, and commissioned. We performed a large number of foam flow experiments on proppant packs using methane gas and different foaming agents at 3500 psi and 115°C. Anionic and amphoteric surfactants were employed to probe the effect of their ionic nature on foam performance. Foam performance sensitivities to various foam generation parameters and operating conditions, such as surfactant concentration, gas fraction, total injection rate, operating pressure, salinity, and proppant pack length were investigated. To this end, steady-state pressure drops across the proppant packs during foam generation and foam's apparent viscosity were measured to quantify the foam performance of surfactants. The results were then analyzed to determine optimum values of the foam parameters and the interplay between these parameters are discussed here. The systematic results achieved from this work are in agreement with the trends available in the literature and provide new insights into complexities of in situ foam generation in water-wet, unconsolidated porous media at extreme reservoir conditions.

03 NATURAL GAS↗

Development of a grain growth model for U 3 Si 2 using experimental data, phase field simulation and molecular dynamics

The purpose of this work is to develop a model for normal grain growth in U 3 Si 2 . The average grain boundary energy was determined from previously published molecular dynamics simulations. The grain growth kinetics were quantified at various temperatures by annealing nanocrystalline samples. Here, the mobility was determined by comparing phase field grain growth simulations to the experimental data.

36 MATERIALS SCIENCE↗

On residual stress analysis and microstructural evolution for stainless steel type 304 spent nuclear fuel canisters weld joint: Numerical and experimental studies

Chloride-induced stress corrosion cracking (CISCC) in the weldments of austenitic stainless steel canisters is one of the primary safety concerns during the dry storage of used nuclear fuel at Independent Spent Fuel Storage Installations in coastal areas. In order to evaluate the CISCC behavior in the canister, a 3D sequentially coupled thermo-mechanical finite element model was built to simulate the residual stresses induced by two intersecting longitudinal and circumferential multi-pass welds in austenitic stainless steel mockup canister. Weld-induced residual stresses from simulation were in good agreement with the experimental measurement results by deep-hole drilling and contour methods. Through-wall high tensile axial and hoop stresses were observed in both the fusion zone and heat affected zone (HAZ) in the longitudinal and circumferential weld, respectively. On the other hand, the microstructure within the weldments of 304 stainless steel mockup was characterized using optical microscopy, scanning electron microscopy, electron back-scattered diffraction and energy dispersive X-ray spectroscopy methods. A few amount of MnS inclusions in both the base metal and HAZ, and a lot of (Mn,Si) x O y inclusions in the fusion zone were found. Meanwhile, there is some α'-martensite in the base metal, while the martensite was reversed in the HAZ. In the fusion zone, there is a lot of δ-ferrite. The martensite reversion phenomenon was also verified by the combination of Feritscope test and thermal simulation, which could predict a martensite reversion temperature as 400C°. The welding residual stresses and microstructure analysis results could offer the instructive information for the prediction of CISCC behavior of the spent nuclear fuel canisters.

36 MATERIALS SCIENCE↗

Characterization of modeling and experimental data inconsistencies from burst testing for high-burnup commercial fuel rod applications

Fuel fragmentation, relocation, and dispersal are some of the largest issues remaining in the nuclear industry before rod-average burnup can be increased beyond 62 GWd/tU. The issue is primarily related to the potential for fuel to be dispersed into the reactor primary system, which may increase public risk. One way to prevent dispersal is to avoid cladding burst. The objective of this work is to support the high burnup safety case by evaluating cladding burst under high-burnup, full-length fuel rods and to identify uncertainties that could improve model predictions. The results of this analysis will evaluate realistic, prototypic loss-of-coolant accident (LOCA) conditions; support future cladding burst test designs; and inform the development of mechanistic material models. Realistic high-burnup operating conditions were implemented in the BISON fuel performance code to simulate steady-state and LOCA transient fuel rod evolution to the point at which cladding burst occurred. Parametric studies are performed to assess code response to changes in rod internal pressures and heating rates. Results were compared with simulated LOCA experiments to identify inconsistencies between commercial fuel rod analysis and experimental validation. The representative full-length fuel rod LOCA simulation results did not agree with cladding burst tests. Cladding burst tests indicated burst occurring well below (100–150 °C) those calculated in the full-length fuel rod LOCA analysis. Further investigation indicated that the cladding burst tests do not appear to be representative for full-length fuel rods. The inconsistency investigated in this work showed that the differences between the BISON simulation and the experiment's cladding burst conditions arise from an incomplete characterization of the cladding surface temperature, detailed rodlet characterization, lack of cladding strain measurements, and uncertainty in the cladding creep and failure models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗