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DOE OSTI2019

Progress on Grizzly Development for Reactor Pressure Vessels and Reinforced Concrete Structures

The Grizzly code has been under development for the U.S. Department of Energy’s Light Water Reactor Sustainability program to provide predictive tools for the evolution of material degradation in critical light water reactor structural components due to long-term exposure to the environmental conditions of normal reactor operation, and for the effects of this degradation on the safety of these components. This development has primarily targeted reactor pressure vessels and reinforced concrete structures. Work performed during Fiscal Year 2019 added important features for both of these types of structures. For probabilistic fracture mechanics analysis of reactor pressure vessels, capabilities were added to account for the effects of warm prestressing and residual stresses, as well as to model crack initiation, growth, and arrest. For modeling microstructure evolution in reactor pressure vessels, a cluster dynamics model for evolution of Mn-Ni-Si phases has been implemented. For modeling degraded reinforced concrete structures, capabilities to consider the combined effects of damage and creep in the concrete constitutive model and model nonlinear behavior of reinforcing bars has been added. These newly-developed features fill important gaps in Grizzly’s feature set for engineering-scale analysis of degraded reactor pressure vessels and reinforced concrete structures. Grizzly development in both of these areas has reached a point where it is ready for extensive testing on relevant engineering problems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1983

A lifting surface computer code with jet-in-crossflow interference effects. Volume 1: Theoretical description

A method is proposed to combine a numerical description of a jet in a crossflow with a lifting surface panel code to calculate the jet/aerodynamic-surface interference effects on a V/STOL aircraft. An iterative technique is suggested that starts with a model for the properties of a jet/flat plate configuration and modifies these properties based on the flow field calculated for the configuration of interest. The method would estimate the pressures, forces, and moments on an aircraft out of ground effect. A first-order approximation to the method suggested is developed and applied to two simple configurations. The first-order approximation is a noniterative precedure which does not allow for interactions between multiple jets in a crossflow and also does not account for the influence of lifting surfaces on the jet properties. The jet/flat plate model utilized in the examples presented is restricted to a uniform round jet injected perpendicularly into a uniform crossflow for a range of jet-to-crossflow velocity ratios from three to ten.

Furlong, K. L.↗

NASA NTRS1998

Direct Numerical Simulations of Boundary Layer Transition on a Flat Plate

In recent years the techniques of computational fluid dynamics (CFD) have been used to compute flows associated with geometrically complex configurations. However, success in terms of accuracy and reliability has been limited to cases where the effects of turbulence and transition could be modeled in a straightforward manner. Even in simple flows, the accurate computation of skin friction and heat transfer using existing turbulence models has proved to be a difficult task, one that has required extensive fine-tuning of the turbulence models used. In more complex flows (for example, in turbomachinery flows in which vortices and wakes impinge on airfoil surfaces causing periodic transitions from laminar to turbulent flow) the development of a model that accounts for all scales of turbulence and predicts the onset of transition is an extremely difficult task. Fortunately, current trends in computing suggest that it may be possible to perform direct simulations of turbulence and transition at moderate Reynolds numbers in some complex cases in the near future. This presentation will focus on direct simulations of transition and turbulence using high-order accurate finite-difference methods. The advantage of the finite-difference approach over spectral methods is that complex geometries can be treated in a straightforward manner. Additionally, finite-difference techniques are the prevailing methods in existing application codes. An application of high-order-accurate finite-difference methods to direct simulations of transition and turbulence in a spatially evolving boundary layer subjected to high levels of freestream turbulence will be presented.

Rai, Man Mohan↗

NASA NTRS1997

Direct Simulations of Transition and Turbulence Using High-Order Accurate Finite-Difference Schemes

In recent years the techniques of computational fluid dynamics (CFD) have been used to compute flows associated with geometrically complex configurations. However, success in terms of accuracy and reliability has been limited to cases where the effects of turbulence and transition could be modeled in a straightforward manner. Even in simple flows, the accurate computation of skin friction and heat transfer using existing turbulence models has proved to be a difficult task, one that has required extensive fine-tuning of the turbulence models used. In more complex flows (for example, in turbomachinery flows in which vortices and wakes impinge on airfoil surfaces causing periodic transitions from laminar to turbulent flow) the development of a model that accounts for all scales of turbulence and predicts the onset of transition may prove to be impractical. Fortunately, current trends in computing suggest that it may be possible to perform direct simulations of turbulence and transition at moderate Reynolds numbers in some complex cases in the near future. This seminar will focus on direct simulations of transition and turbulence using high-order accurate finite-difference methods. The advantage of the finite-difference approach over spectral methods is that complex geometries can be treated in a straightforward manner. Additionally, finite-difference techniques are the prevailing methods in existing application codes. In this seminar high-order-accurate finite-difference methods for the compressible and incompressible formulations of the unsteady Navier-Stokes equations and their applications to direct simulations of turbulence and transition will be presented.

Rai, Man Mohan↗

NASA NTRS1997

Direct Numerical Simulations of Boundary Layer Transition on a Flat Plate

In recent years the techniques of computational fluid dynamics (CFD) have been used to compute flows associated with geometrically complex configurations. However, success in terms of accuracy and reliability has been limited to cases where the effects of turbulence and transition could be modeled in a straightforward manner. Even in simple flows, the accurate computation of skin friction and heat transfer using existing turbulence models has proved to be a difficult task, one that has required extensive fine-tuning of the turbulence models used. In more complex flows (for example, in turbomachinery flows in which vortices and wakes impinge on airfoil surfaces causing periodic transitions from laminar to turbulent flow) the development of a model that accounts for all scales of turbulence and predicts the onset of transition is an extremely difficult task. Fortunately, current trends in computing suggest that it may be possible to perform direct simulations of turbulence and transition at moderate Reynolds numbers in some complex cases in the near future. This presentation will focus on direct simulations of transition and turbulence using high-order accurate finite-difference methods. The advantage of the finite-difference approach over spectral methods is that complex geometries can be treated in a straightforward manner. Additionally, finite-difference techniques are the prevailing methods in existing application codes. An application of accurate finite-difference methods to direct simulations of transition and turbulence in a spatially evolving boundary layer subjected to high levels of freestream turbulence will be presented.

Rai, Man Mohan↗

NASA NTRS2014

The Atmospheres of Directly Imaged Planets: Where Has All the Methane Gone?

Methane and ammonia both first appear at lower effective temperatures in brown dwarf atmospheres than equilibrium chemistry models would suggest. This has traditionally been understood as a consequence of vertical mixing timescales being shorter than chemical equilibration timescales in brown dwarf photospheres. Indeed the eddy diffusivity, a variable accounting for the vigor of vertical mixing, has become a standard part of the description of brown dwarf atmosphere models, along with Teff and log g. While some models have suggested that methane is less favored at lower gravity, the almost complete absence of methane in the atmospheres of directly imaged planets, such as those orbiting HR 8799, even at effective temperatures where methane is readily apparent in brown dwarf spectra, has been puzzling. To better understand the paucity of methane in low gravity atmospheres we have revisited the problem of methane chemistry and mixing. We employed a 1-D atmospheric chemistry code augmented with an updated and complete network of the chemical reactions that link CO to CH4. We find the methane abundance at altitudes at or above the effective photosphere is a strong function of surface gravity because higher g shifts the p-T structure to higher pressures (i.e., a given optical depth is proportional to p/g, a relation mitigated somewhat by pressure broadening). Thus quenching in more massive brown dwarfs occurs at a lower temperature and higher pressure, both favoring CH4. We predict that in the lowest mass young giant planets, methane will appear very late, at effective temperatures as low as 600 K rather than the 1200 K seen among field brown dwarfs. This methane deficiency has important implications for the interpretation of spectra as well as methane-based planetary companion searches, such as the NICI survey. The GPI and SPHERE surveys will test these ideas and probe atmospheric chemistry and composition in an entire new range of parameter space. A caveat is that these calculations presume that the C to O ratio is comfortably less than one; the behavior is quite different if C and O are equally abundant, and of course CH4 is always present if C exceeds O.

young giant planets↗

DOE OSTI2025

Verification of the Uniformly-Ordered Binary Decision Algorithm in Correlated-Benchmark Whisper Calculations

Whisper is a nuclear criticality safety code package that aids analysts in validation exercises by computing upper subcritical limits (USL) for applications of interest. To obtain statistically meaningful, significant, and conservative USLs, the analyst must ensure that Whisper selects a sufficient number of benchmarks that are neutronically similar to the application. Many of the available benchmarks are correlated but are currently treated as independent, leading to an artificially small sample size, as their individual information contributions will be overestimated. To aid the analyst in obtaining a sufficient sample size, prior work [2] demonstrated application of the Uniformly-Ordered Binary Decision (UOBD) algorithm in adjusting benchmark weights to account for benchmark correlations. This work provides verification of the Whisper implementation and considers the impact of updated benchmark correlations compared to those available previously. We demonstrate that the UOBD algorithm performs as expected with an analytic example. With HEU-SOL-THERM-001 cases 1 through 10 as the applications, we compare the USLs computed with benchmark correlations available in the Whisper 1.1 release only to those computed with additional benchmark correlations from DICE 2023 and demonstrate substantive differences.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Ab-Initio Investigation of Finite Size Effects in Rutile Titania Nanoparticles with Semilocal and Nonlocal Density Functionals

In this work, we employ hybrid and generalized gradient approximation (GGA) level density functional theory (DFT) calculations to investigate the convergence of surface properties and electronic gap of rutile titania nanoparticles with particle size. The surface energies and electronic gaps are calculated for cuboidal particles with minimum dimension ranging from 3.7 Angstrom (24 atoms) to 10.3 Angstrom (384 atoms) using a highly-parallel real-space DFT code to enable hybrid level DFT calculations of larger nanoparticles than are typically practical. We deconvolute the geometric and electronic finite size effects in surface energy, and evaluate the influence of defects on electronic gap and density of states (DOS). The electronic finite size effects in surface energy vanish when the minimum length scale of the nanoparticles becomes greater than 10 Angstrom. We show that this length scale is consistent with a computationally efficient numerical analysis of the characteristic length scale of electronic interactions. The surface energy of nanoparticles having minimum dimension beyond this characteristic length can be approximated using slab calculations that account for the geometric defects. In contrast, the finite size effects on the electronic gap and DOS is highly dependent on the shape and size of these particles. Furthermore, the DOS for cuboidal particles and more realistic particles constructed using the Wulff algorithm reveal that defect states within the electronic gap play a key role in determining the eigen value distribution of nanoparticles and the electronic gap does not converge to the bulk limit for the particle sizes investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1978

Numerical analyses for treating diffusion in single-, two- and three-phase binary alloy systems

Numerical solutions were applicable for planar, cylindrical, or spherical geometries with any diffusion-zone size and any continuous variation of the diffusion coefficient with concentration. Special techniques were included in the analyses to account for differences in molal volumes, initiation and growth of an intermediate phase, disappearance of a phase, and the presence of an initial composition profile in the specimen. A major improvement in solution accuracy was achieved in the two phase analysis by employing a mass conservation criterion to establish the location of the interface rather than the conventional interface-flux-balance criterion. In the three phase analysis, computation time was minimized without sacrificing solution accuracy by treating the three phase problem as a two phase problem when the thickness of the intermediate phase was less than a preset small value. Three computer codes were developed to perform these analyses.

Tenney, D. R.↗

NASA NTRS2002

A Modified Wall Matching Treatment to Account for Local Solid to Fluid Thermal Coupling

The wall-matching methodology of Wilcox is modified to include a solid-wall, thermal-conduction model. This coupled fluid-thermal-structure model is derived assuming that the wall thermal-structure behavior is locally one-dimensional and that structural deformations, due to thermally induced stresses, are not significant. The one-dimensional coupled fluid-thermal-structure model is derived such that the wall temperature is removed as an independent boundary condition variable. The one-dimensional coupled fluid-thermal-structure model is also derived for the general case of an arbitrary mixture of thermally prefect gases and a wall of arbitrary thickness and conductivity by using a compressible, streamwise-pressure-gradient-corrected, wall-matching function and Fourier's law of heat conduction. The resulting model was implemented in the VULCAN CFD code as a new boundary condition type. VULCAN was then used to simulate a two-dimensional Mach 6 wind tunnel facility nozzle flow to demonstrate/validate the one-dimensional coupled fluid-thermal-structure model. The nozzle internal-wall surface temperature and heat transfer distributions computed using the one-dimensional coupled fluid-thermal-structure model are compared to wall temperature and heat transfer distributions from an iterative multi-dimensional analysis obtained by coupling the VULCAN CFD code and the MSC/NASTRAN-thermal code. The one-dimensional coupled fluid-thermal-structure model analysis is shown to be very robust and in excellent agreement with the multi-dimensional iteratively coupled analysis. It is also shown that the one-dimensional analysis can be used as an initial guess for the multi-dimensional iteratively coupled analysis.

White, Jeffery A.↗

NASA NTRS2002

A Modified Wall Matching Treatment to Account for Local Solid to Fluid Thermal Coupling

White, Jeffery A.↗

DOE OSTI2016

Effect of the size of nanoparticles on their dissolution within metal-glass nanocomposites under sustained irradiation

We investigate the dissolution law of metallic nanoparticles (NPs) under sustained irradiation. The system is composed of isolated spherical gold NPs (4–100 nm) embedded in an amorphous silica host matrix. Samples are irradiated at room temperature in the nuclear stopping power regime with 4 MeV Au ions for fluences up to 8 × 10{sup 16 }cm{sup −2}. Experimentally, the dependence of the dissolution kinetics on the irradiation fluence is linear for large NPs (45–100 nm) and exponential for small NPs (4–25 nm). A lattice-based kinetic Monte Carlo (KMC) code, which includes atomic diffusion and ballistic displacement events, is used to simulate the dynamical competition between irradiation effects and thermal healing. The KMC simulations allow for a qualitative description of the NP dissolution in two main stages, in good agreement with the experiment. Moreover, the perfect correlation obtained between the evolution of the simulated flux of ejected atoms and the dissolution rate in two stages implies that there exists an effect of the size of NPs on their dissolution and a critical size for the transition between the two stages. The Frost-Russell model providing an analytical solution for the dissolution rate, accounts well for the first dissolution stage but fails in reproducing the data for the second stage. An improved model obtained by including a size-dependent recoil generation rate permits fully describing the dissolution for any NP size. This proves, in particular, that the size effect on the generation rate is the principal reason for the existence of two regimes. Finally, our results also demonstrate that it is justified to use a unidirectional approximation to describe the dissolution of the NP under irradiation, because the solute concentration is particularly low in metal-glass nanocomposites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Design Optimization and Measurement Uncertainty of an Electromagnetic Level Sensor for Liquid Metal Reactors

Here, this article describes the design and operation of a prototype mutual inductance level sensor (MILS) and the development and validation of a finite-element analysis (FEA) model describing its behavior. The MILS was designed for use in liquid sodium up to temperatures of 650 °C in the Mechanisms Engineering Test Loop (METL) at Argonne National Laboratory (ANL). Preliminary testing was performed in a room temperature test stand with aluminum acting as an analog for the sodium to better understand sensor performance and provide accurate code validation data. This experimental data, along with material properties found in literature, were used to validate an FEA model in ANSYS Maxwell. The validated ANSYS Maxwell model was used to examine the performance of the MILS in various environments and under various operating conditions. Simulations suggest the following: The MILS will perform adequately in liquid sodium and liquid lead at temperatures up to 650 °C . The temperature dependence of electrical conductivity imposes a temperature dependence on the sensor that requires proper compensation. The MILS signal sensitivity is maximized when mutual inductance between sensor coils is maximized, and sensor geometry should be selected to account for this factor. The operating frequency of the MILS can be optimized and is dependent on process fluid material, operating temperature, and materials/geometry of sensor system. Finally, the use of a stainless-steel isolating thimble does not adversely affect the sensor signal. The primary sources of error for this MILS system are the accuracy of the calibration standard against which the sensor is calibrated, and the temperature dependence of the sensor. This work contains all the necessary details to recreate the FEA model and results. This model can be used to optimize the performance of a MILS in any operating environment to read any electrically conductive working fluid.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS2002

Three-Dimensional Postbuckling Analysis of Curved Beams

Presented here is a method of solving highly flexible curved beam undergoing huge static or quasi-static deformations. A geometrically exact beam theory based on the use of Jaumann stresses and strains and exact coordinate transformation is presented in terms of 17 first-order ordinary differential equations, and a multiple shooting method is used to solve the corresponding nonlinear two-point boundary value problems. The geometrically exact beam theory accounts far large rotations, large displacements, initial curvatures, extensionality, and transverse shear strains. Four examples are used to demonstrate this method, including a rotating clamped-free beam under the influence of gravity and centrifugal forces, an L-frame subjected to an in-plane tip load, a circular arch subjected to a concentrated load, and a clamped-hinged helical spring subjected to an axial displacement. Results show that the combination of the multiple shooting method and the geometrically exact beam theory works very well. Moreover, the obtained numerically exact solutions can be used to verify the accuracy of nonlinear finite element codes for nonlinear analysis of complex structures.

Pai, P. Frank↗

NASA NTRS2009

Hall-Effect Thruster Simulations with 2-D Electron Transport and Hydrodynamic Ions

A computational approach that has been used extensively in the last two decades for Hall thruster simulations is to solve a diffusion equation and energy conservation law for the electrons in a direction that is perpendicular to the magnetic field, and use discrete-particle methods for the heavy species. This "hybrid" approach has allowed for the capture of bulk plasma phenomena inside these thrusters within reasonable computational times. Regions of the thruster with complex magnetic field arrangements (such as those near eroded walls and magnets) and/or reduced Hall parameter (such as those near the anode and the cathode plume) challenge the validity of the quasi-one-dimensional assumption for the electrons. This paper reports on the development of a computer code that solves numerically the 2-D axisymmetric vector form of Ohm's law, with no assumptions regarding the rate of electron transport in the parallel and perpendicular directions. The numerical challenges related to the large disparity of the transport coefficients in the two directions are met by solving the equations in a computational mesh that is aligned with the magnetic field. The fully-2D approach allows for a large physical domain that extends more than five times the thruster channel length in the axial direction, and encompasses the cathode boundary. Ions are treated as an isothermal, cold (relative to the electrons) fluid, accounting for charge-exchange and multiple-ionization collisions in the momentum equations. A first series of simulations of two Hall thrusters, namely the BPT-4000 and a 6-kW laboratory thruster, quantifies the significance of ion diffusion in the anode region and the importance of the extended physical domain on studies related to the impact of the transport coefficients on the electron flow field.

plasma↗

DOE OSTI2017

Computational studies on scattering of radio frequency waves by density filaments in fusion plasmas

In modern magnetic fusion devices, such as tokamaks and stellarators, radio frequency (RF) waves are commonly used for plasma heating and current profile control, as well as for certain diagnostics. The frequencies of the RF waves range from ion cyclotron frequency to the electron cyclotron frequency. The RF waves are launched from structures, like waveguides and current straps, placed near the wall in a very low density, tenuous plasma region of a fusion device. The RF electromagnetic fields have to propagate through this scrape-off layer before coupling power to the core of the plasma. The scrape-off layer is characterized by turbulent plasmas fluctuations and by blobs and filaments. The variations in the edge density due to these fluctuations and filaments can affect the propagation characteristics of the RF waves—changes in density leading to regions with differing plasma permittivity. Analytical full-wave theories have shown that scattering by blobs and filaments can alter the RF power flow into the core of the plasma in a variety of ways, such as through reflection, refraction, diffraction, and shadowing [see, for example, Ram and Hizanidis, Phys. Plasmas 23, 022504 (2016), and references therein]. There are changes in the wave vectors and the distribution of power–scattering leading to coupling of the incident RF wave to other plasma waves, side-scattering, surface waves, and fragmentation of the Poynting flux in the direction towards the core. However, these theoretical models are somewhat idealized. In particular, it is assumed that there is step-function discontinuity in the density between the plasma inside the filament and the background plasma. In this paper, results from numerical simulations of RF scattering by filaments using a commercial full-wave code are described. The filaments are taken to be cylindrical with the axis of the cylinder aligned along the direction of the ambient magnetic field. The plasma inside and outside the filament is assumed to be cold. There are three primary objectives of these studies. The first objective is to validate the numerical simulations by comparing with the analytical results for the same plasma description—a step-function discontinuity in density. A detailed comparison of the Poynting flux shows that numerical simulations lead to the same results as those from the theoretical model. The second objective is to extend the simulations to take into account a smooth transition in density from the background plasma to the interior of the filament. The ensuing comparison shows that the deviations from the results of the theoretical model are quite small. The third objective is to consider the scattering process for situations well beyond a reasonable theoretical analysis. This includes scattering off multiple filaments with different densities and sizes. In conclusion, simulations for these complex arrangements of filaments show that, in spite of the obvious limitations, the essential physics of RF scattering is captured by the analytical theory for a single filament

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1984

The Representation of Action Plans in Long Term Memory

A sequence of experiments conducted on a two hand chord typewriter, to compare the efficiency of different coding principles employed to associate letters with their chord productions is described. This keyboard represents an effort to identify effective alternatives to the existing typewriter. It consists of two seperate 5-key panels (one for each hand), and letters are entered by typing chords composed of one to five fingers. Each panel is capable of producing the full alphabet. One group of experiments was designed to separate between perceptual and motor factors in the acivation of single letter chords. The results underline the importance of perceptual factors in the activation of motor plans. The complexity of the patterns employed to represent letters was shown to account for 50 percent of variance in the typing speeds of single letters. The theoretical implications of these results are discussed in relation to a vision based theory of action plans.

Fussfeld, G. N.↗

NASA NTRS1999

Computations of Boiling in Microgravity

The absence (or reduction) of gravity, can lead to major changes in boiling heat transfer. On Earth, convection has a major effect on the heat distribution ahead of an evaporation front, and buoyancy determines the motion of the growing bubbles. In microgravity, convection and buoyancy are absent or greatly reduced and the dynamics of the growing vapor bubbles can change in a fundamental way. In particular, the lack of redistribution of heat can lead to a large superheat and explosive growth of bubbles once they form. While considerable efforts have been devoted to examining boiling experimentally, including the effect of microgravity, theoretical and computational work is limited to very simple models. In this project, the growth of boiling bubbles is studied by direct numerical simulations where the flow field is fully resolved and the effects of inertia, viscosity, surface deformation, heat conduction and convection, as well as the phase change, are fully accounted for. The proposed work is based on previously funded NASA work that allowed us to develop a two-dimensional numerical method for boiling flows and to demonstrate the ability of the method to simulate film boiling. While numerical simulations of multi-fluid flows have been advanced in a major way during the last five years, or so, similar capability for flows with phase change are still in their infancy. Although the feasibility of the proposed approach has been demonstrated, it has yet to be extended and applied to fully three-dimensional simulations. Here, a fully three-dimensional, parallel, grid adaptive code will be developed. The numerical method will be used to study nucleate boiling in microgravity, with particular emphasis on two aspects of the problem: 1) Examination of the growth of bubbles at a wall nucleation site and the instabilities of rapidly growing bubbles. Particular emphasis will be put on accurately capturing the thin wall layer left behind as a bubble expands along a wall, on computing instabilities on bubble surfaces as bubbles grow, and on quantifying the effects of both these phenomena on heat transfer; and 2) Examination of the effect of shear flow on bubble growth and heat transfer.

Tryggvason, Gretar↗