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At least 1,513 records · Page 84

Direct Numerical Simulation of the Flow through a Randomly Packed Pebble Bed

The proposition for molten salt and high-temperature gas-cooled reactors has increased the focus on the dynamics and physics in randomly packed pebble beds. Research is being conducted on the validity of these designs as a possible contestant for the fourth-generation nuclear power systems. A detailed understanding of the coolant flow behavior is required in order to ensure proper cooling of the reactor core during normal and accident conditions. In order to increase the understanding of the flow through these complex geometries and enhance the accuracy of lower-fidelity modeling, high-fidelity approaches such as direct numerical simulation (DNS) can be utilized. Nek5000, a spectral-element computational fluid dynamics (CFD) code, was used to develop DNS fluid flow data. The flow domain consisted of 147 pebbles enclosed by a bounding wall. In the work presented, the Reynolds numbers ranged from 430 to 1050 based on the pebble diameter and inlet velocity. Characteristics of the flow domain such as volume averaged porosity, axial porosity, and radial porosity were studied and compared with correlations available in the literature. Friction factors from the DNS results for all Reynolds numbers were compared with correlations in the literature. The first- and second-order statistics show good agreement with the available experimental data. Turbulence length scales were analyzed in the flow. Reynolds stress anisotropy was characterized by utilizing invariant analysis. Overall, the results of the analysis in this study provide deeper understanding of the flow behavior and the effect of the wall in packed beds.

Yildiz, Mustafa Alper↗

Line shape parameters of PH3 transitions: Theoretical studies of self-broadened widths and line mixing effects

Line mixing effects have been calculated in various parallel and perpendicular bands of self-broadened PH3 lines and compared with recent experimental data. The theoretical approach is an extension to symmetric tops with high inversion barrier of the formalism previously developed for NH3 [Q. Ma and C. Boulet, J. Chem. Phys. 144, 224303 (2016)]. The model takes into account the non-diagonality of the scattering operator within the line space as well as, in a correct way, the double degeneracy of the j, k levels when k ≠ 0. Transitions between such levels should be considered as doublets whose components may be coupled by the line mixing process. It has been shown that, at low pressure, the inversion of the experimental data will strongly depend on the splitting between the two components of a doublet. When it is significant, one can measure independently both the width of one component and the intra-doublet coupling matrix element. Otherwise, one can only measure the sum of these two elements. Comparisons with measurements show that the present formalism leads to accurate predictions of the experimental line shapes.

Remote sensing↗

Time-Resolved Grazing Incidence X-Ray Absorption Spectroscopy for the In Situ Investigation of the Initial Stages of Sputter-Deposited Copper Thin Films

The sputter deposition and the growth of thin copper films on float glass substrates are in situ studied using grazing incidence, reflection mode X-ray absorption fine structure spectroscopy with subsecond time resolution. The experimental data are compared with model calculations, assuming the presence of crystalline, face-centered cubic metallic Cu nanostructures. From a detailed analysis of the measured spectra, the film thickness as well as the surface roughness is determined, leading to a detailed understanding of the films growth as a function of the sputter deposition time. In particular, different stages of film growth can clearly be distinguished from the fits of the experimental data. The results suggest the formation of isolated, approximately nm-sized copper clusters in the initial phase of the film deposition for the first few seconds, a coalescence phase with a nominal thickness of ≈1.5–2.8 nm, constant roughness of about 1.4 nm for the subsequent ≈5 s, and finally 3D growth of the Cu crystallites in the film for later stages of film growth. Further prospects of the methodology are given.

36 MATERIALS SCIENCE↗

Using density functional theory to construct multiphase equations of state: tin as an example

We present a general methodology for using density functional theory (DFT) calculations as a basis for constructing multiphase equations of state (EOS). Focusing on tin as an example, we discuss the full process of generating a tabular EOS, starting from first-principles calculations and arriving at a full EOS in agreement with existing experimental data. We begin by describing DFT calculations for the five solid phases and liquid phase of tin, including cold curve, phonon, and DFT-based molecular dynamics calculations. We then discuss methods for incorporating DFT results into materials models used in OpenSesame, the program used to create a full tabular multiphase EOS. Next, we outline a general strategy for adjusting model parameters in OpenSesame to fit to a variety of experimental data, including isobaric data, isothermal data, shock data, solid-solid phase boundary measurements, and measurements of the melt curve. We end with a discussion of the advantages of using DFT data as a foundation for EOS generation and discuss potential strategies for automated EOS generation based on the fitting process highlighted in this work.

74 ATOMIC AND MOLECULAR PHYSICS↗

FUN3D Analyses in Support of the Second Aeroelastic Prediction Workshop

This paper presents the computational aeroelastic results generated in support of the second Aeroelastic Prediction Workshop for the Benchmark Supercritical Wing (BSCW) configurations and compares them to the experimental data. The computational results are obtained using FUN3D, an unstructured grid Reynolds- Averaged Navier-Stokes solver developed at NASA Langley Research Center. The analysis results include aerodynamic coefficients and surface pressures obtained for steady-state, static aeroelastic equilibrium, and unsteady flow due to a pitching wing or flutter prediction. Frequency response functions of the pressure coefficients with respect to the angular displacement are computed and compared with the experimental data. The effects of spatial and temporal convergence on the computational results are examined.

Chwalowski, Pawel↗

Numerical simulations of unsteady, viscous, transonic flow over isolated and cascaded airfoils using a deforming grid

A compressible, unsteady, full Navier-Stokes, finite difference code was developed for modeling transonic flow through two-dimensional, oscillating cascades. The procedure introduces a deforming grid technique to capture the motion of the airfoils. Results using a deforming grid are presented for both isolated and cascaded airfoils. The load histories and unsteady pressure distributions are predicted for the NASA 64A010 isolated airfoil and compared with existing experimental data. Results show that the deforming grid technique can be used to successfully predict the unsteady flow properties around an oscillating airfoil. The deforming grid technique was extended for modeling unsteady flow in a cascade. The use of a deforming grid simplifies the specification of boundary conditions. Unsteady flow solutions similar to the isolated airfoil predictions are found for a NACA 0012 cascade with zero interblade phase angle and zero stagger. Experimental data for these cases are not available for code validation, but computational results are presented to show sample predictions from the code. Applications of the code to typical turbomachinery flow conditions will be presented in future work.

Huff, Dennis L.↗

Numerical simulations of unsteady, viscous, transonic flow over isolated and cascaded airfoils using a deforming grid

A compressible, unsteady, full Navier-Stokes, finite difference code was developed for modeling transonic flow through two-dimensional, oscillating cascades. The procedure introduces a deforming grid technique to capture the motion of the airfoils. Results using a deforming grid are presented for both isolated and cascaded airfoils. The load histories and unsteady pressure distributions are predicted for the NASA 64A010 isolated airfoil and compared with existing experimental data. Results show that the deforming grid technique can be used to successfully predict the unsteady flow properties around an oscillating airfoil. The deforming grid technique was extended for modeling unsteady flow in a cascade. The use of a deforming grid simplifies the specification of boundary conditions. Unsteady flow solutions similar to the isolated airfoil predictions are found for a NACA 0012 cascade with zero interblade phase angle and zero stagger. Experimental data for these cases are not available for code validation, but computational results are presented to show sample predictions from the code. Applications of the code to typical turbomachinery flow conditions will be presented in future work.

Huff, Dennis L.↗

Spin wave interference detection via inverse spin Hall effect

Here, in this Letter, we present experimental data that demonstrate a spin wave interference detection using an inverse spin Hall effect (ISHE). Two coherent spin waves are excited in a yttrium-iron garnet waveguide by continuous microwave signals. The initial phase difference between the spin waves is controlled by the external phase shifter. The ISHE voltage is detected at a distance of 2 and 4 mm away from the spin wave generating antennas by an attached Pt layer. Experimental data show ISHE voltage oscillation as a function of the phase difference between the two interfering spin waves. This experiment demonstrates an intriguing possibility of using ISHE in a spin wave logic circuit converting a spin wave phase into an electric signal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Verification and validation of detonation-shock-dynamics relations for explosives described by general equation of state and chemical reaction models

Detonation shock dynamics is a powerful method to model the behaviour of High Explosives (HE). However in order to use this method, the underlying relationship between the local radius of curvature and the detonation speed must be known. Previous work has developed methods to calculate this effect using simple, single-step Arrhenius and polytropic gas, models for the chemical reaction and the equation of state, respectively. In recent years, more complex models for both reaction rates and equations of state have been developed which show better agreement with experimental data than these simple models, especially when considering condensed phase explosives.. This work presents the governing equations for solving these problems in a way that is generalised to use arbitrary equations of state as well as reaction models which may have more than a single step and multiple product species. This implementation is verified against exact solutions, demonstrating that the equations were implemented properly. The verified algorithm is then validated against experimental data and high fidelity simulations, showing that it is able to make accurate predictions in a regime where the underlying assumptions of the governing equations are valid. Importantly, this approach has many applications: from creating equivalent detonation shock dynamics models for existing reactive burn calibrations for HE; to developing new functional forms and calibrations of reactive burn models for condensed phase high explosives.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

FY-25 Progress on Computational Modeling of the Water Based NSTF

This report summarizes the system level modeling using RELAP5-3D of the Natural Convection Shutdown Heat Removal Test Facility (NSTF) completed in FY25. This year’s work focuses on a new tank configuration where the inlet of the tank was lowered in elevation by 45”. The stability boundaries of the NSTF are thoroughly studied and stability maps are constructed based on the stability and the oscillation patterns of the system. Five distinct operational modes are identified, namely single-phase liquid, uniform double peak oscillations, uniform sinusoidal oscillations, stable two-phase flow, and non-uniform oscillations. Next, the riser inlet throttling case of experimental test Run-104 is simulated with the RELAP5 model where good agreement is obtained between the model and the experimental data. The simulation also highlights the effects of backflow of water from the tank to the upper region of the chimney. Additionally, the decay heat removal test of Run-99 is simulated with the RELAP5 model. Comparison is carried out between this run and a similar run with the mid-tank inlet of Run-74 performed in FY22. With the lower tank inlet, the RELAP5 model is able to predict the experimental data more accurately than the previous mid tank inlet configuration. The discrepancy in model prediction accuracy highlights the non-symmetrical spatial effects in the tank that would otherwise be more easily captured with higher fidelity models. Lastly, two exploratory studies are conducted to investigate the behaviors of the NSTF when 1) heating is provided to the downcomer and 2) a bypass channel is added between the horizontal chimney section to the downcomer.

42 ENGINEERING↗

Assessment of two-temperature kinetic model for dissociating and weakly-ionizing nitrogen

The validity of the author's two-temperature, chemical/kinetic model which the author has recently improved is assessed by comparing the calculated results with the existing experimental data for nitrogen in the dissociating and weakly ionizing regime produced behind a normal shock wave. The computer program Shock Tube Radiation Program (STRAP) based on the two-temperature model is used in calculating the flow properties behind the shock wave and the Nonequilibrium Air Radiation (NEQAIR) program, in determining the radiative characteristics of the flow. Both programs were developed earlier. Comparison is made between the calculated and the existing shock tube data on (1) spectra in the equilibrium region, (2) rotational temperature of the N2(+) B state, (3) vibrational temperature of the N2(+) B state, (4) electronic excitation temperature of the N2 B state, (5) the shape of time-variation of radiation intensities, (6) the times to reach the peak in radiation intensity and equilibrium, and (7) the ratio of nonequilibrium to equilibrium radiative heat fluxes. Good agreement is seen between the experimental data and the present calculation except for the vibrational temperature. A possible reason for the discrepancy is given.

Park, C.↗

On broadband shock associated noise of supersonic jets

The characteristics and generation mechanisms of noise associated with the interactions of turbulence with the quasi-periodic broadband shock cells of supersonic jet engines are reviewed. The noise possesses broadband spectra and directionality that are completely different from noise caused by turbulence. Experimental data have shown that broadband noise is most prominent in the forward arc, with peak frequencies being a function of the observation angle and the pressure mismatch in the engine. The noise originates in the engine as turbulence-shock interactions occur during downstream movement. Features of the phased point-source array model and the large turbulence structures-shock cells interaction model are defined and model predictions are compared with experimental data on noise sources. Only a scaling of the noise component is found to be currently possible. More complete characterization depends on consideration of the jet temperature and analysis of turbulence-shock interactions, broadband shock and screech tones and shock noise in several flow configurations.

Tam, C. K. W.↗

Flow separation in shock wave boundary layer interactions at hypersonic speeds

An assessment is presented for the experimental data on separated flow in shock wave turbulent boundary layer interactions at hypersonic and supersonic speeds. The data base consists mainly of two dimensional and axisymmetric interactions in compression corners or cylinder-flares, and externally generated oblique shock interactions with boundary layers over flat plates or cylindrical surfaces. The conditions leading to flow separation and the subsequent changes in the flow empirical correlations for incipient separation are reviewed. The effects of the Mach number, Reynolds number, surface cooling and the methods of detecting separation are discussed. The pertinent experimental data for the separated flow characteristics in separated turbulent boundary layer shock interaction are also presented and discussed.

Hamed, A.↗

Hypersonic flow separation in shock wave boundary layer interactions

An assessment is presented for the experimental data on separated flow in shock wave turbulent boundary layer interactions at hypersonic and supersonic speeds. The data base consists mainly of two dimensional and axisymmetric interactions in compression corners or cylinder-flares, and externally generated oblique shock interactions with boundary layers over flat plates or cylindrical surfaces. The conditions leading to flow separation and the subsequent changes in the flow empirical correlations for incipient separation are reviewed. The effects of the Mach number, Reynolds number, surface cooling and the methods of detecting separation are discussed. The pertinent experimental data for the separated flow characteristics in separated turbulent boundary layer shock interaction are also presented and discussed.

Hamed, A.↗

Performance Characteristics of a Boundary Layer Ingesting Inlet - Distortion Tolerant Fan Through CFD Code Coupling

A method of constructing a high-fidelity simulation using two NASA CFD codes, Launch Ascent and Vehicle Aerodynamics (LAVA), which is the general-purpose solver, and a turbomachinery specific code NASA-TURBO (TURBO), will be presented. Validation of the code coupling is performed through comparison to experimental data obtained in the 2017 wind tunnel test of NASA’s Boundary Layer Ingesting Inlet - Distortion Tolerant Fan (BLI2DTF). For the simulation, the external flow field is computed by LAVA utilizing a steady-state Reynolds-averaged Navier-Stokes (RANS) methodology. Data from LAVA is exchanged with TURBO, which simulated the propulsor utilizing an unsteady-RANS methodology. A sensitivity analysis is performed using averaged and instantaneous data transfer between the two codes, as well as varying the amount of simulation time TURBO computes between updates. The results of the coupled simulations appear to replicate the BLI2DTF experiment correctly. Static pressure taps leading into and around the nacelle, total pressure ratio and efficiency of the propulsor, and profiles of total temperature, pressure, and Mach number at the rear measurement plane, aft of the propulsor, are in good agreement with experimental data. These results provide confidence that the coupled simulation is behaving in a physically realizable manner.

CFD↗

Structural similitude and design of scaled down laminated models

The excellent mechanical properties of laminated composite structures make them prime candidates for wide variety of applications in aerospace, mechanical and other branches of engineering. The enormous design flexibility of advanced composites is obtained at the cost of large number of design parameters. Due to complexity of the systems and lack of complete design based informations, designers tend to be conservative in their design. Furthermore, any new design is extensively evaluated experimentally until it achieves the necessary reliability, performance and safety. However, the experimental evaluation of composite structures are costly and time consuming. Consequently, it is extremely useful if a full-scale structure can be replaced by a similar scaled-down model which is much easier to work with. Furthermore, a dramatic reduction in cost and time can be achieved, if available experimental data of a specific structure can be used to predict the behavior of a group of similar systems. This study investigates problems associated with the design of scaled models. Such study is important since it provides the necessary scaling laws, and the factors which affect the accuracy of the scale models. Similitude theory is employed to develop the necessary similarity conditions (scaling laws). Scaling laws provide relationship between a full-scale structure and its scale model, and can be used to extrapolate the experimental data of a small, inexpensive, and testable model into design information for a large prototype. Due to large number of design parameters, the identification of the principal scaling laws by conventional method (dimensional analysis) is tedious. Similitude theory based on governing equations of the structural system is more direct and simpler in execution. The difficulty of making completely similar scale models often leads to accept certain type of distortion from exact duplication of the prototype (partial similarity). Both complete and partial similarity are discussed. The procedure consists of systematically observing the effect of each parameter and corresponding scaling laws. Then acceptable intervals and limitations for these parameters and scaling laws are discussed. In each case, a set of valid scaling factors and corresponding response scaling laws that accurately predict the response of prototypes from experimental models is introduced. The examples used include rectangular laminated plates under destabilizing loads, applied individually, vibrational characteristics of same plates, as well as cylindrical bending of beam-plates.

Simitses, G. J.↗

A Coverage Self-Consistent Microkinetic Model for Vapor-Phase Formic Acid Decomposition over Pd/C Catalysts

An iterative approach utilizing density functional theory (DFT, PW91-GGA)-informed mean-field microkinetic models and reaction kinetics experiments is used to determine the reaction mechanism and the active site for formic acid (HCOOH, FA) decomposition over a Pd/C catalyst. Models parametrized using DFT energetics on clean Pd(100) and Pd(111) required large corrections to the DFT energetics for capturing our experimental data. Further, both Pd(111) and Pd(100) models predicted a high coverage of adsorbed CO (CO*), inconsistent with the assumption of a clean surface at which the rate parameters for these models were calculated. To better represent the active site under reaction conditions and explicitly account for the presence of CO*, subsequent microkinetic models were formulated using DFT energetics that were calculated on partially (5/9 ML) CO*-covered Pd (111) and (100) facets. Upon parameter adjustment, the resultant 5/9 ML CO*-covered Pd(100) model, although consistent in terms of CO* coverage, was unable to capture the dehydration path measured in the experiments and was, therefore, deemed not to offer an accurate representation of the active site for FA decomposition over Pd/C. In contrast, a partially CO*-covered Pd(111) model was better at representing the catalytic active site, as in addition to being consistent in terms of CO* coverages, it required small adjustments of the DFT parameters to accurately capture the experimental data set (both dehydrogenation and dehydration). Our results suggest that the reaction occurs via the spectroscopically elusive carboxyl (COOH*) intermediate and that spectator CO*-assisted decomposition pathways play an important role under typical experimental conditions. In addition, our study highlights the importance of striving for coverage self-consistent microkinetic models and for including spectator-assisted mechanisms in order to develop an improved picture of the active site under reaction conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Time series modeling of human operator dynamics in manual control tasks

A time-series technique is presented for identifying the dynamic characteristics of the human operator in manual control tasks from relatively short records of experimental data. Control of system excitation signals used in the identification is not required. The approach is a multi-channel identification technique for modeling multi-input/multi-output situations. The method presented includes statistical tests for validity, is designed for digital computation, and yields estimates for the frequency responses of the human operator. A comprehensive relative power analysis may also be performed for validated models. This method is applied to several sets of experimental data; the results are discussed and shown to compare favorably with previous research findings. New results are also presented for a multi-input task that has not been previously modeled to demonstrate the strengths of the method.

Biezad, D. J.↗