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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A improved equation of state for Xe gas bubbles in gamma U-Mo fuels

A monolithic fuel design based on a U-Mo alloy has been selected as the fuel type for conversion of the United States High-Performance Research Reactors (HPRRs). An issue with U-Mo monolithic fuel is the large amount of swelling that takes place during operation. The accurate prediction of fuel evolution under irradiation requires implementation of correct thermodynamic properties into mesoscale and continuum level fuel performance modeling codes. However, the thermodynamic properties of the fission gas bubbles (such as the relationship among bubble size, equilibrium Xe concentration, and bubble pressure) are not well known. This work studies Xe bubbles in ?U-Mo from a diameter of 3 nm up to 8.5 nm and from 400 K up to 700 K. The energetic relationship of Xe bubbles with regard to voids and Xe substitutional atoms is described. The transition is also determined for when a bubble becomes over-pressurized. Finally, an equation of state is fit to the pressure as a function of molar volume and temperature.

Beeler, Benjamin↗
DOE OSTI2025

Modeling and Simulation of Fuel Dispersal During the Loss-of-Coolant Accident

This document is the compilation of the milestone portion to a larger end of project NEUP report. The executive summary of the modeling portion is provided below: In the event of cladding rupture during a postulated LOCA in a pressurized water reactor, fuel particles, along with fission gases, can be expelled into the reactor core from the fractured fuel rod, a phenomenon referred to as fuel dispersal. The initial stage of fuel dispersal is strongly influenced by the high-pressure ejection of fuel fragments, the size and geometry of the ruptured cladding, and the depressurization history of the fuel rod during the postulated LOCA transient. Depending on the location of the burst orifice relative to the quench front, the dispersal event represents an intricate three-phase flow and heat transfer phenomenon, where high-temperature fuel particles carried by the fission gases interact with the coolant within the narrow subchannels of the fuel assemblies, inducing localized phase change. Given the unique multiphysics nature of this phenomena, the current study develops a dedicated computational framework to predict the mass distribution and cooling of dispersing fuel particles, facilitating post-accident assessment and management of the fuel assemblies. Considering the scale of nuclear reactor applications, a continuum three-fluid model is proposed for simulating the transport of solids within the reactor core. With high-temperature fuel fragments within the liquid media, nucleation sites inducing phase changes are dispersed within the flow domain. Coupled with the fact that the transient dispersal event occurs on different time scales than other three-phase flow applications, this study derives a time-averaged three-fluid flow model without losing generality. The assumptions regarding the continuum treatment of the solid phase and the modeling of fuel dispersal behavior are incorporated to simplify the governing equations and derive applicable closure relations. The computational validation of the model was conducted using adiabatic experimental results obtained from ongoing research at Oregon State University, focusing on characterizing fuel dispersal behavior during simulated LOCA conditions. Settlement characteristics of the solids, quantified by the probability distribution of equivalent particles, closely matched the probability density functions reported in experimental studies. The transport of fuel particles within a scaled 5 × 5 lattice of a pressurized-water reactor rod bundle geometry was modeled through a two-fluid Eulerian framework. The required boundary conditions were evaluated from the fuel performance code BISON in a postulated large-break LOCA scenario. The modeling framework considered solid fuel particles as granular matter, interacting with the gaseous dry steam phase and fission gases through the governing interfacial momentum exchange between the participating fluids. The simulation results provided the volume fraction of the solids obtained at the bottom surface of the enclosing tank geometry. Postulated LOCA leading to fuel dispersal phenomena involves the strong coupling between fuel thermomechanics, cladding deformation, thermal-hydraulics, and fuel particle transport. Incorporation of such a strong coupling in numerical simulation is performed by coupling the multiphysics solvers. In the case of fuel dispersal, a strong coupled simulation can be performed by coupling the BISON code for fuel performance, the TRACE code for system-level thermal hydraulics, and fuel particle transport in Multiphysics Object-Oriented Simulation Environment (MOOSE). For such intricate infrastructure, the MOOSE Framework eases the data transfer between codes. The recent version of MOOSE has incorporated the Navier-Stokes module for the fluid flow. An exploratory exercise was done to gain familiarity with finite volume capabilities in the MOOSE framework to incorporate the Spalart-Allmaras (SA) turbulence model. New finite-volume and auxiliary kernels were introduced to assemble the SA transport equation, compute turbulent viscosity, and evaluate wall distance and diagnostic turbulence terms, fully integrated with existing Navier-Stokes modules. A turbulent lid-driven cavity at a Reynolds number of approximately 10,000 is used for verification. MOOSE shows the robust solver convergence and produces the turbulent features. But it underpredicts the velocity profile and turbulent quantities, emphasizing the need to develop improved SA near-wall treatments (e.g., low-Re corrections or wall functions) as a key direction for future work.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Pseudospectral Landau-Lifshitz description of magnetization dynamics

Magnetic materials host a wealth of nonlinear dynamics, textures, and topological defects. This is possible due to the competition between strong nonlinearity and dispersion, which act at the atomic scale, as well as long-range interactions. However, these features are difficult to study analytically and numerically because of the vastly different temporal and spatial scales involved. Here, in this work, we present a pseudospectral approach for the Landau-Lifshitz equation that invokes energy and momentum conservation embodied in the magnon dispersion relation to accurately describe both atomic and continuum limits. Furthermore, this approach enables analytical study at every scale. We show the applicability of this model in both the continuum and atomic limit by investigating modulational instability and ultrafast evolution of magnetization due to transient grating, respectively, in a one-dimensional ferromagnetic chain with perpendicular magnetic anisotropy. This model provides the possibility of grid-independent multiscale numerical approaches that will enable the description of singularities within a single framework.

1-dimensional spin chains↗
DOE OSTI2025

Bottomonium meson spectrum with quenched and unquenched quark models

An open question in hadronic phenomenology concerns the “unquenching” effects of higher Fock space components on the leading Fock space description of hadrons. Here, we address this by making a comparison of the bottomonium spectrum as computed with the relativized Godfrey–Isgur quark model and an unquenched coupled channel model driven by the “$^3P_0$” mechanism of hadronic decay. Our results show that both models can describe the spectrum well, indicating that the influence of coupled channel effects can be largely absorbed into the parameters of the quenched quark model. This conclusion is reinforced by a perturbative calculation that shows that the spin-dependence of mass splittings due to mixing with the continuum recapitulates quenched quark model spin-dependent interactions. We also show that softening of the quark-antiquark wavefunction due to continuum mixing improves the description of vector bottomonium decay constants. Together, these results illustrate and substantiate the surprising robustness of simple constituent quark model descriptions of hadrons.

Sultan, M. Atif [Nankai Univ., Tianjin (China); Un↗
NASA NTRS2010

Far-IR Measurements at Cerro Toco, Chile: FIRST, REFIR, and AERI

In mid-2009, the Radiative Heating in the Underexplored Bands Campaign II (RHUBC-II) was conducted from Cerro Toco, Chile, a high, dry, remote mountain plateau, 23degS , 67.8degW at 5.4km, in the Atacama Desert of Northern Chile. From this site, dominant IR water vapor absorption bands and continuum, saturated when viewed from the surface at lower altitudes, or in less dry locales, were investigated in detail, elucidating IR absorption and emission in the atmosphere. Three FTIR instruments were at the site, the Far-Infrared Spectroscopy of the Troposphere (FIRST), the Radiation Explorer in the Far Infrared (REFIR), and the Atmospheric Emitted Radiance Interferometer (AERI). In a side-by-side comparison, these measured atmospheric downwelling radiation, with overlapping spectral coverage from 5 to100um (2000 to 100/cm), and instrument spectral resolutions from 0.5 to 0.64/cm, unapodized. In addition to the FTIR and other ground-based IR and microwave instrumentation, pressure/temperature/relative humidity measuring sondes, for atmospheric profiles to 18km, were launched from the site several times a day. The derived water vapor profiles, determined at times matching the FTIR measurement times, were used to model atmospheric radiative transfer. Comparison of instrument data, all at the same spectral resolution, and model calculations, are presented along with a technique for determining adjustments to line-by-line calculation continuum models. This was a major objective of the campaign.

Cageao, Richard P.↗
DOE OSTI2022

Modeling electrokinetic flows with the discrete ion stochastic continuum overdamped solvent algorithm

In this article we develop an algorithm for the efficient simulation of electrolytes in the presence of physical boundaries. In previous work the discrete ion stochastic continuum overdamped solvent (DISCOS) algorithm was derived for triply periodic domains, and was validated through ion-ion pair correlation functions and Debye-Hückel-Onsager theory for conductivity, including the Wien effect for strong electric fields. In extending this approach to include an accurate treatment of physical boundaries we must address several important issues. First, the modifications to the spreading and interpolation operators necessary to incorporate interactions of the ions with the boundary are described. Next we discuss the modifications to the electrostatic solver to handle the influence of charges near either a fixed potential or dielectric boundary. An additional short-ranged potential is also introduced to represent interaction of the ions with a solid wall. Finally, the dry diffusion term is modified to account for the reduced mobility of ions near a boundary, which introduces an additional stochastic drift correction. Herein, several validation tests are presented confirming the correct equilibrium distribution of ions in a channel. Additionally, the methodology is demonstrated using electro-osmosis and induced-charge electro-osmosis, with comparison made to theory and other numerical methods. Notably, the DISCOS approach achieves greater accuracy than a continuum electrostatic simulation method. We also examine the effect of under-resolving hydrodynamic effects using a “dry diffusion” approach, and find that considerable computational speedup can be achieved with a negligible impact on accuracy.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1993

Model atmospheres - Tool for identifying interstellar features

Model atmosphere parameters are derived for 14 early A stars with rotation velocities, from optical spectra, in excess of 80 km/s. The models are compared with IUE observations of the stars in regions where interstellar lines are expected. In general, with the assumption of solar abundances, excellent fits are obtained in regions longward of 2580 A, and accurate interstellar equivalent widths can be derived using models to establish the continuum. The fits are poorer at shorter wavelengths, particularly at 2026-2062 A, where the stellar model parameters seem inadequate. Features indicating mass flows are evident in stars with known infrared excesses. In gamma TrA, variability in the Mg II lines is seen over the 5-year interval of these data, and also over timescales as short as 26 days. The present technique should be useful in systematic studies of episodic mass flows in A stars and for stellar abundance studies, as well as interstellar features.

Frisch, P. C.↗
NASA NTRS1990

Model atmospheres for the early stages of novae in outburst

For the photospheres of classical novae during the early stages of their outbursts, continuum and line blanketed models are presented. The expanding envelopes are characterized by small density gradients that lead to very large geometrical extensions and large temperature differences between inner and outer parts. The spectra show large excesses in the IR and small Balmer jumps which may either be in absorption or emission. For the parameters considered most lines are in absorption if powerlaw density distributions and radiative equilibrium are assumed. The effects of modifications in the temperature structure (e.g., heating from shock fronts) and in the density stratifications as well as changes in the abundances are discussed.

Wehrse, R.↗
DOE OSTI2021

Integrated Multiphysics Modeling of Environmentally Assisted Brittle Fracture

Brittle materials, such as cement, compose major portions of built infrastructure and are vulnerable to degradation and fracture from chemo-mechanical effects. Currently, methods of modeling infrastructure do not account for the presence of a reactive environment, such as water, on the acceleration of failure. Here, we have developed methodologies and models of concrete and cement fracture that account for varying material properties, such as strength, shrinkage, and fracture toughness due to degradation or hydration. The models have been incorporated into peridynamics, non-local continuum mechanics methodology, that can model intersecting and branching brittle fracture that occurs in multicomponent brittle materials, such as concrete. Through development of new peridynamic capabilities, decalcification of cement and differential shrinkage in clay-cement composites have been evaluated, along with exemplar problems in nuclear waste cannisters and wellbores. We have developed methods to simulate multiphase phenomena in cement and cement-composite materials for energy and infrastructure applications.

36 MATERIALS SCIENCE↗
NASA NTRS1993

A Realizable Reynolds Stress Algebraic Equation Model

The invariance theory in continuum mechanics is applied to analyze Reynolds stresses in high Reynolds number turbulent flows. The analysis leads to a turbulent constitutive relation that relates the Reynolds stresses to the mean velocity gradients in a more general form in which the classical isotropic eddy viscosity model is just the linear approximation of the general form. On the basis of realizability analysis, a set of model coefficients are obtained which are functions of the time scale ratios of the turbulence to the mean strain rate and the mean rotation rate. The coefficients will ensure the positivity of each component of the mean rotation rate. These coefficients will ensure the positivity of each component of the turbulent kinetic energy - realizability that most existing turbulence models fail to satisfy. Separated flows over backward-facing step configurations are taken as applications. The calculations are performed with a conservative finite-volume method. Grid-independent and numerical diffusion-free solutions are obtained by using differencing schemes of second-order accuracy on sufficiently fine grids. The calculated results are compared in detail with the experimental data for both mean and turbulent quantities. The comparison shows that the present proposal significantly improves the predictive capability of K-epsilon based two equation models. In addition, the proposed model is able to simulate rotational homogeneous shear flows with large rotation rates which all conventional eddy viscosity models fail to simulate.

Shih, Tsan-Hsing↗
DOE OSTI2021

Spatial coupling of gyrokinetic simulations, a generalized scheme based on first-principles

In this paper, we present a scheme that spatially couples two gyrokinetic codes using first-principles. Coupled equations are presented and a necessary and sufficient condition for ensuring accuracy is derived. This new scheme couples both the field and the particle distribution function. The coupling of the distribution function is only performed once every few time-steps, using a five-dimensional (5D) grid to communicate the distribution function between the two codes. This 5D grid interface enables the coupling of different types of codes and models, such as particle and continuum codes, or delta-f and total-f models. Transferring information from the 5D grid to the marker particle weights is achieved using a new resampling technique. Demonstration of the coupling scheme is shown using two XGC gyrokinetic simulations for both the core and edge. We also apply the coupling scheme to two continuum simulations for a one-dimensional advection–diffusion problem.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1994

The 1993 multiwavelength campaign on 3C 279: The radio to gamma-ray energy distribution inlow state

Simultaneous observations of 3C 279 at radio, millimeter, near-infrared, optical, ultraviolet (with IUE) and X-ray (with ROSAT) wavelengths were obtained in 1992 December-1993 January, during a three week pointing at the source by the Compton Gamma Ray Observatory. The blazar was in a quiescent or 'low' state during this period. Comparing the multiwavelength energy distribution to that from 1991 June, when 3C 279 was in its brightest recorded gamma-ray state, we find the following: (1) 3C 279 faded dramatically at all frequencies above 10(exp 14) Hz, while the flux variations at low frequencies (radio to millimeter wavelengths) were minor. (2) The near-infrared-optical-ultraviolet spectral shape was softer (steeper) in the quiescent state, and the X-ray spectra also appear softer, although the spectral indix measured by ROSAT refer to a lower energy band than that measured earlier with Ginga. (3) The ratio of the gamma-ray luminosity to that across all other frequencies decreased from a value of approximately equal to 10 in the flaring state to a value approximately equal to 1 in the quiescent state. These findings imply that the production of gamma-rays is closely related to the optical-ultraviolet continuum, in agreement with models where gamma-rays are produced through inverse Compton (IC) scattering by relativistic electrons emitting the synchrotron continuum. The observed nonlinear relation between the synchrotron and IC requires both a change in the electron spectrum and an associated change in the seed photons.

Maraschi, L.↗
NASA NTRS1989

A new rotational relaxation model for use in hypersonic computational fluid dynamics

The theoretical basis for the Landau-Teller equation commonly used to model rotational nonequilibrium is reviewed. Several assumptions underlying this model are indicated to be unrealistic for rarefied hypersonic flow. A new rotational nonequilibrium model based on recent measurements up to 2000K of quantum state transition rates is presented. The new model is applied to the continuum study of normal shock wave structure using both the Burnett equations and a simplified nonlinear constitutive relation. Comparisons are made between shock wave temperature profiles generated from the new model and those generated using the Landau-Teller model. Comparisons of shock reciprocal thicknesses between experimental data for nitrogen and continuum solutions using both rotational models are made. The new rotational model agrees well with experiment up to Mach 6, and under predicts shock thickness at higher Mach numbers. The Landau-Teller model agrees well with experimental shock thickness up to Mach 3, and over predicts the thickness at higher Mach numbers. A modification to the rotational collision number in the Landau-Teller model is found to give results which agree with experimental shock thicknesses at all Mach numbers up to 11.

Chapman, Dean E.↗
DOE OSTI2022

Calibrating uncertain parameters in melt pool simulations of additive manufacturing

Melt pool scale numerical modeling of additive manufacturing (AM) processes can provide predictive capabilities and theoretical insight into the process-property-structure-performance relationships for AM parts. Despite capabilities of numerical models to solve complex multi-physics problems, it is often important to consider a tradeoff between detailed physics and computational cost. Therefore, sources of uncertainty in both experimental conditions and the parameters needed for modeling require models to be validated against empirical evidence. Here, a method is proposed to calibrate uncertain parameters used in continuum-scale melt pool models for powder bed fusion (PBF) AM. Both a simplified heat transfer model and a heat transfer and fluid flow model were investigated. A surrogate model and Markov chain-based optimization algorithm calibrated melt pool geometry for models within experimental variation of the target melt pool width and depth from the NIST AM-Bench 2018-02 dataset. The melt pool temperature distributions, solidification parameters, and simulated multi-layer solidification microstructures were compared between the two models. Similar results from both models indicate that calibrated, lower fidelity numerical models may be used in place of higher fidelity models to generate melt pool solidification data. Finally, these calibrated models therefore enable lower computational cost melt pool simulations without a noticeable decrease in simulation accuracy for grain-scale microstructure simulations.

36 MATERIALS SCIENCE↗
NASA NTRS1982

1 millimeter continuum observations of quasars

Broadband 1-mm continuum observations of 37 active extragalactic objects are discussed in the context of several models of the radio and IR continuum emission of compact extragalactic objects. The observed correlation of the 1-mm flux density of 'blazars', or BL Lac objects and optically violent, variable quasars, with both radio and IR emission, is a natural consequence of the attribution of the radio-to-optical blazar continuum to synchrotron radiation from a relativistic jet viewed nearly along its axis. It is shown that a Comptonization model in which the IR continuum of quasars is produced by the upscattering of radio photons into the IR by a thermal plasma will be in accord with the 1-mm and IR data, if these photons have frequencies in the 10 to the 12th to 10 to the 13th Hz range.

Ennis, D. J.↗
NASA NTRS1994

Disk instability and the spectral evolution of the 1992 outburst of the intermediate polar GK Persei

The disk instability model can explain the previous history of dwarf-nova-like outbursts in the intermediate polar GK Per, which occur about once every three years. Disk models that reproduce the recurrence time and outburst light curves suggest that GK Per has a large effective inner disk radius (approx. 30-40 white dwarf radii) truncated by a strong magnetic field (10(exp 7) G). In this context, the effective radius is that of the portion of the disk that participates in the disk thermal instability. The radius derived is larger than the corotation radius, which must be an upper limit on the true dynamical inner radius of the disk. Disk instability models with this large effective inner radius predict that the ultraviolet continuum should be rather flat. Here we compare the predictions of the disk instability model to IUE observations of the 1981 outburst and to IUE and ROSAT observations of the recent 1992 outburst of GK Per. The model disk continuum spectral evolution is consistent with the observed UV and optical spectra, especially at maximum and in the early decay phase of the outburst. The consistency of the model with the observed UV spectra suggests that the effective inner radius of the disk is almost constant, independent of mass accretion rate, and that whatever structure lies between the effective inner radius and the corotation radius neither participates in the disk instability nor radiates substantially in the UV. The related physics of the inner disk region will be briefly discussed.

Kim, S.-W.↗