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At least 1,621 records · Page 90

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NASA NTRS2004

Stochastic Stability of Sampled Data Systems with a Jump Linear Controller

In this paper an equivalence between the stochastic stability of a sampled-data system and its associated discrete-time representation is established. The sampled-data system consists of a deterministic, linear, time-invariant, continuous-time plant and a stochastic, linear, time-invariant, discrete-time, jump linear controller. The jump linear controller models computer systems and communication networks that are subject to stochastic upsets or disruptions. This sampled-data model has been used in the analysis and design of fault-tolerant systems and computer-control systems with random communication delays without taking into account the inter-sample response. This paper shows that the known equivalence between the stability of a deterministic sampled-data system and the associated discrete-time representation holds even in a stochastic framework.

Gonzalez, Oscar R.↗

NASA NTRS2017

A First-Principles Model Based on Saturation of the Electron Cyclotron Drift Instability for Electron Transport in Hydrodynamics Simulations of Hall Thruster Plasmas

We present a computational model based on the hypothesis that the higher-than-expected electron mobility across magnetic field lines observed in Hall thrusters is due to the growth and eventual saturation of the electron cyclotron drift instability. The key improvement of this model with respect to previous work is that it decouples the saturation of the instability from the correlation that exists between mobility and magnitude of the wave perturbations in linear theory, thereby enabling first-principles simulations. The model has been incorporated in the 2-D (r-z) multi-fluids code Hall2De and simulations of the H6 thruster at 300 V, 20 A are numerically stable and achieve a steady-state solution at a computational cost that is not significantly higher than previous Hall2De simulations. The computed location of the acceleration region is found to be within 10% of the length of the acceleration channel compared to that inferred by experiments. The simulations also capture well the plasma gradients along the channel centerline of this thruster. To further establish the validity of this model, we plan to conduct simulations of other thrusters and/or operating conditions.

Lopez Ortega, Alejandro↗

DOE OSTI2025

One‐at‐a‐Time Parameter Perturbation Ensemble of the Community Land Model, Version 5.1

Comprehensive land models are subject to significant parametric uncertainty, which can be hard to quantify due to the large number of parameters and high model computational costs. We constructed a large parameter perturbation ensemble (PPE) for the Community Land Model version 5.1 with biogeochemistry configuration (CLM5.1-BGC). We performed more than 2,000 simulations perturbing 211 parameters across six forcing scenarios. This provides an expansive data set, which can be used to identify the most influential parameters on a wide range of output variables globally, by biome, or by plant functional type. We found that parameter effects can exceed scenario effects and that a small number of parameters explains a large fraction of variance across our ensemble. The most important parameters can differ regionally and also based on the forcing scenario. The software infrastructure developed for this experiment has greatly reduced the human and computer time needed for CLM PPEs, which can facilitate routine investigation of parameter sensitivity and uncertainty, as well as automated calibration.

Kennedy, Daniel [NSF National Center for Atmospher↗

NASA NTRS2003

Computational Study of Axisymmetric Off-Design Nozzle Flows

Computational Fluid Dynamics (CFD) analyses of axisymmetric circular-arc boattail nozzles operating off-design at transonic Mach numbers have been completed. These computations span the very difficult transonic flight regime with shock-induced separations and strong adverse pressure gradients. External afterbody and internal nozzle pressure distributions computed with the Wind code are compared with experimental data. A range of turbulence models were examined, including the Explicit Algebraic Stress model. Computations have been completed at freestream Mach numbers of 0.9 and 1.2, and nozzle pressure ratios (NPR) of 4 and 6. Calculations completed with variable time-stepping (steady-state) did not converge to a true steady-state solution. Calculations obtained using constant timestepping (timeaccurate) indicate less variations in flow properties compared with steady-state solutions. This failure to converge to a steady-state solution was the result of using variable time-stepping with large-scale separations present in the flow. Nevertheless, time-averaged boattail surface pressure coefficient and internal nozzle pressures show reasonable agreement with experimental data. The SST turbulence model demonstrates the best overall agreement with experimental data.

DalBello, Teryn↗

NASA NTRS1990

Determination of the ocean circulation using Geosat altimetry

A spherical harmonic model of the sea surface topography complete to degree and order 10 and a model of the earth's geopotential field complete to degree and order 50 have been obtained in a simultaneous solution using Geosat altimeter data and tracking data from 14 different satellites. The sea surface topography model compares well with oceanographic models computed using hydrographic data and ship drift data. Currently, errors in the estimated gravity field model limit the determination of the spherical harmonic coefficients of the general ocean circulation to degrees 10 and lower, corresponding to a minimum wavelength of 4000 km. Error analysis indicates that the correlation between the geoid and the sea surface topography model is less than 0.2, indicating good separation of the geoid and the sea surface topography at wavelengths of 4000 km or longer. Estimates of the scale factor for the significant wave height (H1/3), which is used to compute the electromagnetic bias correction and the bias for the Geosat altimeter, are obtained. The estimate of the H1/3 correction is 3.6 + or - 1.5 percent, and the height bias estimate is zero.

Nerem, R. S.↗

DOE OSTI2020

Quarterly Management Document – FY20, 1st Quarter, Physics-based Creep Simulations of Thick Section Welds in High Temperature and Pressure Applications

During the first quarter of FY20, efforts focused on calibrating a computational model using experimental data. The experimental creep data obtain from specimens containing weld metal exhibit considerable inherent variability making calibration of the computational difficult and may not result in an accurate model.

36 MATERIALS SCIENCE↗

NASA NTRS1994

Role of pressure diffusion in non-homogeneous shear flows

A non-local model is presented for approximating the pressure diffusion in calculations of turbulent free shear and boundary layer flows. It is based on the solution of an elliptic relaxation equation which enables local diffusion sources to be distributed over lengths of the order of the integral scale. The pressure diffusion model was implemented in a boundary layer code within the framework of turbulence models based on both the kappa-epsilon-(bar)upsilon(exp 2) system of equations and the full Reynolds stress equations. Model computations were performed for mixing layers and boundary layer flows. In each case, the pressure diffusion model enabled the well-known free-stream edge singularity problem to be eliminated. There was little effect on near-wall properties. Computed results agreed very well with experimental and DNS data for the mean flow velocity, the turbulent kinetic energy, and the skin-friction coefficient.

Demuren, A. O.↗

DOE OSTI2023

A multiscale phase field fracture approach based on the non-affine microsphere model for rubber-like materials

Rubber-like materials have a broad scope of applications due to their unique properties like high stretchability and increased toughness. Hence, computational models for simulating their fracture behavior are paramount for designing them against failures. In this study, the phase field fracture approach is integrated with a multiscale polymer model for predicting the fracture behavior in elastomers. At the microscale, damaged polymer chains are modeled to be made up of a number of elastic chain segments pinned together. Using the phase field approach, the damage in the chains is represented using a continuous variable. Both the bond stretch internal energy and the entropic free energy of the chain are assumed to drive the damage, and the advantages of this assumption are expounded. A framework for utilizing the non-affine microsphere model for damaged systems is proposed here by considering the minimization of a hypothetical undamaged free energy, ultimately connecting the chain stretch to the macroscale deformation gradient. At the macroscale, a thermodynamically consistent formulation is derived in which the total dissipation is assumed to be mainly due to the rupture of molecular bonds. Using a monolithic scheme, the proposed model is numerically implemented and the resulting three-dimensional simulation predictions are compared with existing experimental data. The capability of the model to qualitatively predict the propagation of complex crack paths and quantitatively estimate the overall fracture behavior is verified. Additionally, the effect of the length scale parameter on the predicted fracture behavior is studied for an inhomogeneous system.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2017

Computations of Torque-Balanced Coaxial Rotor Flows

Interactional aerodynamics has been studied for counter-rotating coaxial rotors in hover. The effects of torque balancing on the performance of coaxial-rotor systems have been investigated. The three-dimensional unsteady Navier-Stokes equations are solved on overset grids using high-order accurate schemes, dual-time stepping, and a hybrid turbulence model. Computational results for an experimental model are compared to available data. The results for a coaxial quadcopter vehicle with and without torque balancing are discussed. Understanding interactions in coaxial-rotor flows would help improve the design of next-generation autonomous drones.

Torque↗

DOE OSTI2024

Quantum-centric supercomputing for materials science: A perspective on challenges and future directions

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Computationally hard tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their resources for simulation, analysis, and data processing. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. Here in this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Effect of Inlet Throttling on Thermohydraulic Instability in a Large Scale Waterbased RCCS: A System-Level Analysis with RELAP5-3D

This paper presents results from system -level modeling of a water -based reactor cavity cooling system using RELAP5-3D. The computational model is benchmarked with experimental data from a half -scale RCCS test facility at Argonne National Laboratory. The model prediction is first compared with a two-phase oscillatory baseline experimental case where mixed accuracy is obtained. The model shows reasonable prediction of mass flow rate, pressure, and temperature but significant overprediction of void fraction. The model prediction is then compared with a fault case where the inlet of the risers is gradually reduced using a throttling valve. As the valve is closed, the model is able to predict some major flow phenomena observed in the experiment such as the dampening of oscillations, the reintroduction of oscillations, as well as boiling, flashing, and geysering in the risers. However, the timeline of these events are not well captured by the model. The model is also used to investigate the evolution of flow regime in the chimney. This work highlights that the semiempirical constitutive relations used in RELAP-3D could have a strong influence on the accuracy of the model in two-phase oscillatory flows.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

Temperature sensitivity of the equilibrium neutronics and accident analysis of the HTR-10

Pebble-Bed High-Temperature Gas-cooled Reactors (PB-HTGR) are moderated by the graphite in the fuel pebbles and the graphite reflector surrounding the pebble-bed. Because graphite is by far the most abundant material in PB-HTGRs and the primary moderator, accurate modeling of the graphite material, including density, impurities, and temperatures, is crucial for accurate computational modeling and simulation of these reactors. While main characteristics of the graphite components are often known, the local temperature is less well known and often averaged over all components. Here, this work studies the impact of considering accurate temperature profiles in the graphite material on the generation of a small PB-HTGR model at the state of equilibrium operation and on short-term accident progression. The fuel compositions for the PB-HTGR were determined using a jump-in equilibrium modeling method, the Axial Radial Zone Equilibrium Modeling (AR-ZEM) method. In contrast to previous work, the AR-ZEM method was used considering thermal-hydraulic feedback from the MELCOR code to determine temperatures of the fuel pebbles and the surrounding graphite reflector. The consideration of an axial and radial temperature profile in the core and reflector, as opposed to uniform material temperatures, had an impact of almost 1,300 pcm on the equilibrium core eigenvalue and caused significant differences in the discharged plutonium fuel inventory with up to 4.9% and 11.0% for Pu-239 and Pu-242, respectively. To assess the impact on short-term accident progression, two Anticipated Transient Without SCRAM (ATWS) events, a Pressurized Loss of Forced Coolant (PLOFC) and a Control Rod Withdrawal (CRW) with loss of flow, were simulated with MELCOR. The use of temperature profiles in the equilibrium core models did not reveal a significant impact on the temperature, power, or reactivity responses during the transients. In conclusion, a need for consideration of accurate temperature profiles, in particular for the graphite reflector, was found for the generation of equilibrium PB-HTGRs core models using jump-in methods, but detailed temperature profiles may not be necessary when performing conservative transient analysis.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

Attractive Noncovalent Interactions versus Steric Confinement in Asymmetric Supramolecular Catalysis

The remarkable catalytic performance of enzymes stems from their ability to engage in precise noncovalent interactions (NCIs) within a sterically confined space. Supramolecular catalysis seeks to emulate and understand these strategies through the rational design of simple and controlled catalyst microenvironments. While both steric confinement and attractive interactions have been invoked as key to host activity, their relative contribution to rate enhancement and selectivity, as well as potential trade-offs, remains an outstanding question. Here, we address this question by systematically comparing two metal–organic supramolecular catalysts, which differ in the strength of their attractive noncovalent interactions and in their cavity volume. Our findings reveal that the catalyst with the larger cavity, and with stronger available NCIs, exhibits both significant rate acceleration (100-fold) and enhanced enantioselectivity (84% vs 14% ee) in a model ketone reduction compared to its smaller analogue. Mechanistic analysis, binding competition experiments, and computational modeling indicate that these differences predominantly stem from stabilizing noncovalent interactions in the larger catalyst, a result that challenges existing steric-based models of supramolecular stereoinduction. Understanding the governing factors of asymmetric induction and rate acceleration in supramolecular hosts will undoubtedly inform future catalyst design.

Catalysts↗

DOE OSTI2021

Electron energy distributions in the extended gas nebulae associated with high-z AGN: Maxwell–Boltzmann versus κ distributions

ABSTRACT Emission line observations together with photoionization models provide important information about the ionization mechanisms, densities, temperatures, and metallicities in active galactic nuclei (AGN)-ionized gas. Photoionization models usually assume Maxwell–Boltzmann (M–B) electron energy distributions (EED), but it has been suggested that using κ distributions may be more appropriate and could potentially solve the discrepancies in temperatures and abundances found in HII regions and planetary nebulae. We consider the impact of the presence of κ distributions in photoionized nebulae associated with AGN and study how this might affect spectral modelling and abundance analyses for such regions. Using the photoionization code MAPPINGS 1e, we compute models adopting M–B and κ distributions of electron energies and compare the behaviour of emission line ratios for different values of κ, gas metallicity, density, ionization parameter, and SED slope. We find that the choice of EED can have a large impact on some UV and optical emission lines emitted by photoionized nebulae associated with AGN, and that the impact of adopting a κ distribution is strongly dependent on gas metallicity and ionization parameter. We compile a sample of line ratios for 143 type 2 AGN and compare our models against the observed line ratios. We find that for 98 objects, κ distributions provide a better fit to the observed line ratios than M–B distributions. In addition, we find that adopting κ-distributed electron energies results in significant changes in the inferred gas metallicity and ionization parameter in a significant fraction of objects.

Morais, S. G. (ORCID:0000000200927813)↗

DOE OSTI2024

Two-Fluid and Discrete Element Modeling of a Parallel Plate Fluidized Bed Heat Exchanger for Concentrating Solar Power

A novel high-temperature particle solar receiver is developed using a light trapping planar cavity configuration. As particles fall through the cavity, the concentrated solar radiation warms the boundaries of the receiver and in turn heats the particles. Particles flow through the system, forming a fluidized bed at the lower section, leaving the system from the bottom at a constant flowrate. Air is introduced to the system as the fluidizing medium to improve particle heat transfer and mixing. A laboratory scale cavity receiver is built by collaborators at the Colorado School of Mines and their data are used for model validation. In this experimental setup, near IR quartz lamp is used to provide flux to the vertical wall of the heat exchanger. The system is modeled using the discrete element method and a continuum two-fluid method. The computational model matches the experimental system size and the particle size distribution is assumed monodisperse. A new continuum conduction model that accounts for the effects of solid concentration is implemented, and the heat flux boundary condition matches the experimental setup. Radiative heat transfer is estimated using a widely used correlation during the post-processing step to determine an overall heat transfer coefficient. The model is validated against testing data and achieves less than 30% discrepancy and a heat transfer coefficient greater than 1000 W/m2 K.

concentrating solar power↗

NASA NTRS1976

Beam efflux measurements

Measurements have been made of the high energy thrust ions, (Group I), high angle/high energy ions (Group II), and high angle/low energy ions (Group IV) of a mercury electron bombardment thruster in the angular divergence range from 0 deg to greater than 90 deg. The measurements have been made as a function of thrust ion current, propellant utilization efficiency, bombardment discharge voltage, screen and accelerator grid potential (accel-decel ratio) and neutralizer keeper potential. The shape of the Group IV (charge exchange) ion plume has remained essentially fixed within the range of variation of the engine operation parameters. The magnitude of the charge exchange ion flux scales with thrust ion current, for good propellant utilization conditions. For fixed thrust ion current, charge exchange ion flux increases for diminishing propellant utilization efficiency. Facility effects influence experimental accuracies within the range of propellant utilization efficiency used in the experiments. The flux of high angle/high energy Group II ions is significantly diminished by the use of minimum decel voltages on the accelerator grid. A computer model of charge exchange ion production and motion has been developed. The program allows computation of charge exchange ion volume production rate, total production rate, and charge exchange ion trajectories for "genuine" and "facilities effects" particles. In the computed flux deposition patterns, the Group I and Group IV ion plumes exhibit a counter motion.

Komatsu, G. K.↗

NASA NTRS1976

Aeroacoustics: Acoustic wave propagation; Aircraft noise prediction; Aeroacoustic instrumentation

The papers in this volume deal with recent research into acoustic-wave propagation through the atmosphere and progress in aeroacoustic instrumentation, facilities, and test techniques. Topics include the propagation of aircraft noise over long distances in the lower atmosphere, measured effects of turbulence on the rise time of a weak shock, sound scattering from atmospheric turbulence, saturation effects associated with sound propagation in a turbulent medium, and a computer model of the lightning-thunder process. Other papers discuss the development of a computer system for aircraft noise prediction; aircraft flyover noise measurements; and theories and methods for the prediction of ground effects on aircraft noise propagation, for the prediction of airframe aerodynamic noise, for turbine noise prediction, and for combustion noise prediction. Attention is also given to the use of Hartmann generators as sources of high-intensity sound in a large absorption flow-duct facility, an outdoor jet noise facility, factors in the design and performance of free-jet acoustic wind tunnels, and the use of a laser shadowgraph for jet noise diagnosis.

Schwartz, I. R.↗

NASA NTRS1978

Trends and techniques for space base electronics

A system was developed for depositing aluminum and aluminum alloys by the D.C. sputtering technique. This system which was designed for a high level of cleanliness and ion monitoring the deposition parameters during film preparation is ready for studying the deposition and annealing parameters upon double level metal preparation. The finite element method was studied for use in the computer modeling of two dimensional MOS transistor structures. An algorithm was developed for implementing a computer study which is based upon the finite difference method. The program was modified and used to calculate redistribution data for boron and phosphorous which had been predeposited by ion implantation with range and straggle conditions typical of those used at MSFC. Data were generated for 111 oriented SOS films with redistribution in N2, dry O2 and steam ambients. Data are given showing both two dimensional effects and the evolution of the junction depth, sheet resistance and integrated dose with redistribution time.

Gassaway, J. D.↗