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At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Assessment of the sea surface temperature diurnal cycle in CNRM-CM6-1 based on its 1D coupled configuration

A single-column version of the CNRM-CM6-1 global climate model has been developed to ease development and validation of the boundary layer physics and air–sea coupling in a simplified environment. This framework is then used to assess the ability of the coupled model to represent the sea surface temperature (SST) diurnal cycle. To this aim, the atmospheric–ocean single-column model (AOSCM), called CNRM-CM6-1D, is implemented in a case study derived from the CINDY2011/DYNAMO campaign over the Indian Ocean, where large diurnal SST variabilities have been well documented. Comparing the AOSCM and its uncoupled components (atmospheric SCM and oceanic SCM, called OSCM) highlights the fact that the impact of coupling in the atmosphere results from both the possibility to take into account the diurnal variability of SST, which is not usually available in forcing products, and the change in mean state SST as simulated by the OSCM, with the ocean mean state not being heavily impacted by the coupling. This suggests that coupling feedbacks in the 3D model do not arise from the coupling of ocean and atmosphere vertical column physics but are more due to the large-scale dynamics resolved by the 3D model. Additionally, a sub-daily coupling frequency is needed to represent the SST diurnal variability, but the choice of the coupling time step between 15 min and 3 h does not impact the diurnal temperature range simulated much. The main drawback of a 3 h coupling is delaying the SST diurnal cycle by 5 h in asynchronous coupled models. Overall, the diurnal SST variability is reasonably well represented in CNRM-CM6-1 with a 1 h coupling time step and the upper-ocean model resolution of 1 m. This framework is shown to be a very valuable tool to develop and validate the boundary layer physics and the coupling interface. It highlights the interest to develop other atmosphere–ocean coupling case studies.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Shadow Lagrangian dynamics for superfluidity

Motivated by a similar approach for Born-Oppenheimer molecular dynamics, this paper proposes an extended "shadow" Lagrangian density for quantum states of superfluids. The extended Lagrangian contains an additional field variable that is forced to follow the wave function of the quantum state through a rapidly oscillating extended harmonic oscillator. By considering the adiabatic limit for large frequencies of the harmonic oscillator, we can derive the two equations of motions, a Schrödinger-type equation for the quantum state and a wave equation for the extended field variable. The equations are coupled in a nonlinear way, but each equation individually is linear with respect to the variable that it defines. The computational advantage of this new system is that it can be easily discretized using linear time stepping methods, where we propose to use a Crank-Nicolson-type approach for the Schrödinger equation and an extended leapfrog scheme for the wave equation. Furthermore, the difference between the quantum state and the extended field variable defines a consistency error that should go to zero if the frequency tends to infinity. By coupling the time-step size in our discretization to the frequency of the harmonic oscillator we can extract an easily computable consistency error indicator that can be used to estimate the numerical error without additional costs. The findings are illustrated in numerical experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2004

A Meteorological Model's Dependence on Radiation Update Frequency

Numerical weather models are used to simulate circulations in the atmosphere including clouds and precipitation by applying a set of mathematical equations over a three-dimensional grid. The grid is composed of discrete points at which the meteorological variables are defined. As computing power continues to rise these models are being used at finer grid spacing, but they must still cover a wide range of scales. Some of the physics that must be accounted for in the model cannot be explicitly resolved, and their effects, therefore, must be estimated or "parameterized". Some of these parameterizations are computationally expensive. To alleviate the problem, they are not always updated at the time resolution of the model with the assumption being that the impact will be small. In this study, a coupled land-atmosphere model is used to assess the impact of less frequent updates of the computationally expensive radiation physics for a case on June 6, 2002, that occurred during a field experiment over the central plains known as International H20 Project (IHOP). The model was tested using both the original conditions, which were dry, and with modified conditions wherein moisture was added to the lower part of the atmosphere to produce clouds and precipitation (i.e., a wet case). For each of the conditions (i.e., dry and wet), four set of experiments were conducted wherein the model was run for a period of 24 hours and the radiation fields (including both incoming solar and outgoing longwave) were updated every 1, 3, 10, and 100 time steps. Statistical tests indicated that average quantities of surface variables for both the dry and wet cases were the same for the various update frequencies. However, spatially the results could be quite different especially in the wet case after it began to rain. The near-surface wind field was found to be different most of the time even for the dry case. In the wet case, rain intensities and average vertical profiles of heating associated with cloudy areas were found to differ for the various radiation update frequencies. The latter implies that the mean state of the model could be different as a result of not updating the radiation fields every time step and has important implications for longer term climate studies

Eastman, Joseph L.↗
NASA NTRS1984

A two-point difference scheme for computing steady-state solutions to the conservative one-dimensional Euler equations

An implicit finite-difference method is presented for obtaining steady-state solutions to the time-dependent, conservative Euler equations for flows containing shocks. The method uses a two-point central-difference scheme for the flux derivatives with dissipation added at supersonic points via the retarded density concept. Application of the method to 1-dimensional nozzle flow equations for various combinations of subsonic and supersonic boundary conditions show the method to be very efficient. Residuals are typically reduced to machine zero in approximately 35 time steps for 50 mesh points. For 1-dimensional Euler calculations, it is shown that the scheme offers two advantages over the more widely-used three-point schemes. The first is in regard to application of boundary conditions, and the second relates to the fact that the two-point algorithm is well-conditioned for large time steps.

Wornom, S. F.↗
DOE OSTI2023

Quantifying the Impact of Vertical Resolution on the Representation of Marine Boundary Layer Physics for Global-Scale Models

Abstract While GCM horizontal resolution has received the majority of scale improvements in recent years, ample evidence suggests that a model’s vertical resolution exerts a strong control on its ability to accurately simulate the physics of the marine boundary layer. Here we show that, regardless of parameter tuning, the ability of a single-column model (SCM) to simulate the subtropical marine boundary layer improves when its vertical resolution is improved. We introduce a novel objective tuning technique to optimize the parameters of an SCM against profiles of temperature and moisture and their turbulent fluxes, horizontal winds, cloud water, and rainwater from large-eddy simulations (LES). We use this method to identify optimal parameters for simulating marine stratocumulus and shallow cumulus. The novel tuning method utilizes an objective performance metric that accounts for the uncertainty in the LES output, including the covariability between model variables. Optimization is performed independently for different vertical grid spacings and value of time step, ranging from coarse scales often used in current global models (120 m, 180 s) to fine scales often used in parameterization development and large-eddy simulations (10 m, 15 s). Uncertainty-weighted disagreement between the SCM and LES decreases by a factor of ∼5 when vertical grid spacing is improved from 120 to 10 m, with time step reductions being of secondary importance. Model performance is shown to converge at a vertical grid spacing of 20 m, with further refinements to 10 m leading to little further improvement. Significance Statement In successive generations of computer models that simulate Earth’s atmosphere, improvements have been mainly accomplished by reducing the horizontal sizes of discretized grid boxes, while the vertical grid spacing has seen comparatively lesser refinements. Here we advocate for additional attention to be paid to the number of vertical layers in these models, especially in the model layers closest to Earth’s surface where climatologically important marine stratocumulus and shallow cumulus clouds reside. Our experiments show that the ability of a one-dimensional model to represent physical processes important to these clouds is strongly dependent on the model’s vertical grid spacing.

Meteorology & Atmospheric Sciences↗
DOE OSTI2022

Quasi-Helmholtz decomposition, Gauss' laws and charge conservation for finite element particle-in-cell

Development of particle-in-cell (PIC) methods using finite element based methods (FEMs) have been a topic of renewed interest; this has largely been driven by (a) the ability of finite element methods to better model geometry, (b) better understanding of function spaces that are necessary to represent all Maxwell quantities, and (c) more recently, the fundamental rubrics that should be obeyed in space and time so as to satisfy Gauss' laws and the equation of continuity. In that vein, methods have been developed recently that satisfy these equations and are agnostic to time stepping methods. While this development is indeed a significant advance, it should be noted that implicit FEM transient solvers support an underlying null space that corresponds to a gradient of a scalar potential ∇Φ(r) (or t∇Φ(r) in the case of wave equation solvers). While explicit schemes do not suffer from this drawback, they are only conditionally stable with time step sizes that are mesh dependent and very small. Furthermore, the null space produces spurious charge that can corrupt the desired physics of a PIC simulation. The way to overcome this bottleneck, and indeed, satisfy all four Maxwell's equation is to use a quasi-Helmholtz formulation on a tessellation. In the re-formulation presented, we strictly satisfy the equation of continuity and Gauss' laws for both the electric and magnetic flux densities. Results illustrating the efficacy of this scheme will be demonstrated by analyzing non-neutral beams with space-charge and the adiabatic expansion of a neutral plasma with realistic parameters (Debye length and real mass ratios).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Implicit fast sweeping method for hyperbolic systems of conservation laws

Implicit time-accurate methods are often used to integrate stiff problems where explicit schemes impose severe time step restrictions. This paper presents an efficient numerical framework based on the Fast Sweeping Method (FSM) for solving linear and nonlinear hyperbolic systems of conservation laws. The solution at each discrete location is computed by sweeping the numerical domain in several predetermined directions that follow the causality of the characteristic families. The use of a fractional step strategy eliminates the need for a solution selection criterion while one-sided stencils limit the number of sweeps to at most 2 d for d space dimensions. This work focuses on the first-order implicit upwind method since it constitutes the building block for high-order conservative schemes. For problems where the degree of stiffness evolves over time, implicit-explicit hybridization can be accomplished with the same algorithm by simply switching the stencil at each time level. As opposed to traditional implicit solvers, the sweeping method does not require a local time linearization of the fluxes thereby preserving the nonlinear stability properties of the original implicit scheme. It also avoids the large computational and memory requirements associated with solving large block-diagonal systems of equations. Here, a series of one- and two-dimensional test cases are presented for the inviscid Burgers' equation and the reactive Euler equations. The results indicate that the implicit FSM can allow a major reduction in the number of time steps even in the presence of discontinuous solution profiles.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1997

Multistage Schemes with Multigrid for Euler and Navier-Strokes Equations: Components and Analysis

A class of explicit multistage time-stepping schemes with centered spatial differencing and multigrids are considered for the compressible Euler and Navier-Stokes equations. These schemes are the basis for a family of computer programs (flow codes with multigrid (FLOMG) series) currently used to solve a wide range of fluid dynamics problems, including internal and external flows. In this paper, the components of these multistage time-stepping schemes are defined, discussed, and in many cases analyzed to provide additional insight into their behavior. Special emphasis is given to numerical dissipation, stability of Runge-Kutta schemes, and the convergence acceleration techniques of multigrid and implicit residual smoothing. Both the Baldwin and Lomax algebraic equilibrium model and the Johnson and King one-half equation nonequilibrium model are used to establish turbulence closure. Implementation of these models is described.

Swanson, R. C.↗
NASA NTRS2007

Microphysical Timescales in Clouds and their Application in Cloud-Resolving Modeling

Independent prognostic variables in cloud-resolving modeling are chosen on the basis of the analysis of microphysical timescales in clouds versus a time step for numerical integration. Two of them are the moist entropy and the total mixing ratio of airborne water with no contributions from precipitating particles. As a result, temperature can be diagnosed easily from those prognostic variables, and cloud microphysics be separated (or modularized) from moist thermodynamics. Numerical comparison experiments show that those prognostic variables can work well while a large time step (e.g., 10 s) is used for numerical integration.

Zeng, Xiping↗
NASA NTRS2004

Alternative Attitude Commanding and Control for Precise Spacecraft Landing

A report proposes an alternative method of control for precision landing on a remote planet. In the traditional method, the attitude of a spacecraft is required to track a commanded translational acceleration vector, which is generated at each time step by solving a two-point boundary value problem. No requirement of continuity is imposed on the acceleration. The translational acceleration does not necessarily vary smoothly. Tracking of a non-smooth acceleration causes the vehicle attitude to exhibit undesirable transients and poor pointing stability behavior. In the alternative method, the two-point boundary value problem is not solved at each time step. A smooth reference position profile is computed. The profile is recomputed only when the control errors get sufficiently large. The nominal attitude is still required to track the smooth reference acceleration command. A steering logic is proposed that controls the position and velocity errors about the reference profile by perturbing the attitude slightly about the nominal attitude. The overall pointing behavior is therefore smooth, greatly reducing the degree of pointing instability.

Singh, Gurkirpal↗
NASA NTRS1989

Zonal multigrid solution of compressible flow problems on unstructured and adaptive meshes

The simultaneous use of adaptive meshing techniques with a multigrid strategy for solving the 2-D Euler equations in the context of unstructured meshes is studied. To obtain optimal efficiency, methods capable of computing locally improved solutions without recourse to global recalculations are pursued. A method for locally refining an existing unstructured mesh, without regenerating a new global mesh is employed, and the domain is automatically partitioned into refined and unrefined regions. Two multigrid strategies are developed. In the first, time-stepping is performed on a global fine mesh covering the entire domain, and convergence acceleration is achieved through the use of zonal coarse grid accelerator meshes, which lie under the adaptively refined regions of the global fine mesh. Both schemes are shown to produce similar convergence rates to each other, and also with respect to a previously developed global multigrid algorithm, which performs time-stepping throughout the entire domain, on each mesh level. However, the present schemes exhibit higher computational efficiency due to the smaller number of operations on each level.

Mavriplis, Dimitri J.↗
DOE OSTI2026

Verification of an energy-conserving semi-implicit electrostatic particle-in-cell scheme for modeling high-density plasma at scale

A verification study of a semi-implicit energy-conserving electrostatic particle-in-cell algorithm is presented. The algorithm relaxes the time-step and mesh-size constraints that require resolution of the plasma period and Debye length associated with traditional explicit momentum-conserving particle-in-cell algorithms. Physical implications and applicability of using the semi-implicit scheme for modeling high-density plasmas are discussed. Where possible, numerical results are compared against analytical solutions. The simulation results indicate that the algorithm is stable at time steps larger than twice the inverse plasma frequency and cell sizes larger than the Debye length. It is found that the algorithm gives adequate results, provided that the distribution function and the spatiotemporal scales dictating the physics of the problem are resolved. As such, the algorithm may provide a robust method for kinetic modeling of high-density plasmas at scale.

Cyclotron resonance↗
NASA NTRS1975

Development of an efficient computer code to solve the time-dependent Navier-Stokes equations

A research effort was conducted with the goal of reducing computer time of a Navier Stokes Computer Code for prediction of viscous flow fields about lifting bodies. A two-dimensional, time-dependent, laminar, transonic computer code (STOKES) was modified to incorporate a non-uniform timestep procedure. The non-uniform time-step requires updating of a zone only as often as required by its own stability criteria or that of its immediate neighbors. In the uniform timestep scheme each zone is updated as often as required by the least stable zone of the finite difference mesh. Because of less frequent update of program variables it was expected that the nonuniform timestep would result in a reduction of execution time by a factor of five to ten. Available funding was exhausted prior to successful demonstration of the benefits to be derived from the non-uniform time-step method.

Harp, J. L., Jr.↗
NASA NTRS1986

The efficient calculation of chemically reacting flow

A semi-implicit finite volume formulation is used to study flows with chemical reactions. In this formulation the source terms resulting from the chemical reactions are treated implicitly and the resulting system of partial differential equations is solved using two time-stepping schemes. The first is based on the Runge-Kutta method while the second is based on an Adams predictor-corrector method. Results show that improvements in computational efficiency depend to a large extent on the manner in which the source term is treated. Further, analysis and computation indicate that the Runge-Kutta method is more efficient than the Adams methods. Finally, an adaptive time stepping scheme is developed to study problems involving shock ignition. Calculations for a hydrogen-air system agree well with other methods.

Eklund, D. R.↗
DOE OSTI2025

Differentiable hybrid neural network approach for enhancing reactor dynamics simulations

Reactor dynamics simulations provide essential insights into the time-dependent behavior of nuclear reactors under various operating conditions. However, high-fidelity simulations can be computationally intensive, requiring significant computational resources. Here, to address this challenge, this study employs a differentiable hybrid model that utilizes neural networks as a corrector to enhance the performance of a low-fidelity simulation, aligning its predictions with those of a high-fidelity simulation. Low-fidelity and high-fidelity simulations were obtained by adjusting the mesh size in the System Dynamics Analysis Tool. The differentiable hybrid model was trained in two approaches: time-step-wise and sequence-wise. It was then applied to simulate various transients in a molten salt reactor. Its performance was evaluated by comparing its responses to transients against those of the high-fidelity simulation. An additional approach was performed using a data-driven model to correct the low-fidelity simulation. In comparison, the differentiable hybrid model showed significant improvements in transient prediction, effectively addressing the limitations of the low-fidelity simulations. The results highlighted the robustness of the differentiable hybrid model in both training approaches. It delivered simulations that were at least 3.8 times faster than high-fidelity models. In the time-step-wise approach, it achieved at least a 39% improvement in accuracy. In the sequence-wise approach, it showed at least an 81% accuracy improvement over the full transient. This approach offers a promising path for improving computational efficiency without compromising accuracy in nuclear reactor simulations, making it suitable for real-time digital twin applications.

42 - ENGINEERING↗
NASA NTRS1996

Multigrid Acceleration of Time-Accurate Navier-Stokes Calculations

A numerical scheme to solve the unsteady Navier-Stokes equations is described. The scheme is fully implicit in time and is unconditionally stable (at least for first- and second-order discretizations of the physical time derivatives). With unconditional stability, the choice of the time step is based on the physical phenomena to be resolved rather than limited by numerical stability. This is especially important for high Reynolds number viscous flows, where the spatial variation of grid cell size can be as much as six orders of magnitude. A multigrid-multiblock, steady-state, three-dimensional Navier-Stokes solver, TLNS3D, was modified to iteratively invert the equations at each physical time step. The implementation of this procedure in TLNS3D is discussed. The implications of applying several popular turbulence models to unsteady flow are also considered. Numerical results are presented to show the application of the scheme to various two-dimensional turbulent flows. The results of a three-dimensional laminar flow calculation are also given.

Melson, N. Duane↗
DOE OSTI2021

Tutorial: Langevin Dynamics methods for aerosol particle trajectory simulations and collision rate constant modeling

The Langevin Dynamics (LD) method (also known in the literature as Brownian Dynamics) is routinely used to simulate aerosol particle trajectories for transport rate constant calculations as well as to understand aerosol particle transport in internal and external fluid flows. This tutorial intends to explain the methodological details of setting up a LD simulation of a population of aerosol particles and to deduce rate constants from an ensemble of classical trajectories. We discuss the applicability and limitations of the translational Langevin equation to model the combined stochastic and deterministic motion of particles in fields of force or fluid flow. The drag force and stochastic “diffusion” force terms that appear in the Langevin equation are discussed elaborately, along with a summary of common forces relevant to aerosol systems (electrostatic, gravity, van der Waals, …); a commonly used first order and a fourth order Runge-Kutta time stepping schemes for linear stochastic ordinary differential equations are presented. A MATLAB® implementation of a LD code for simulating particle settling under gravity using the first order scheme is included for illustration. Scaling analysis of aerosol transport processes and the selection of timestep and domain size for trajectory simulations are demonstrated through two specific aerosol processes: particle diffusion charging and coagulation. Fortran® implementations of the first order and fourth order time-stepping schemes are included for simulating the 3D motion of a particle in a periodic domain. Lastly, potential applications and caveats to the usage of LD are included as a summary.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Advanced Finite-Volume Numerics and Source Term Assumptions for Kernel and G-Equation Modelling of Propane/Air Flames

Here G-Equation models represent propagating flame fronts with an implicit two-dimensional surface representation (level-set). Level-set methods are fast, as transport source terms for the implicit surface can be solved with finite-volume operators on the finite-volume domain, without having to build the actual surface. However, they include approximations whose practical effects are not properly understood. In this study, we improved the numerics of the FRESCO CFD code’s G-Equation solver and developed a new method to simulate kernel growth using signed distance functions and the analytical sphere-mesh overlap. We analyzed their role for simulating propane/air flames, using three well-established constant-volume configurations: a one-dimensional, freely propagating laminar flame; a disc-shaped, constant-volume swirl combustor; and torch-jet flame development through an orifice from a two-chamber device. We tested the explicit (sub-cycled) vs. implicit formulation for the standard transport operators (advection, diffusion, compressibility). In addition to the accurate flame swept-volume method for chemistry and species source term, we developed a more accurate estimator for the burnt/unburnt split cell composition. Then, we developed a signed-distance-function (SDF) based method which provides a more stable reinitialization of the level-set field at every time-step. We found that simplifying assumptions common to several G-Equation implementations, for straightforward terms such as compressibility and advection, lead to large errors in predicting the propagation of even laminar flames, with deviations up to ~300% in simulated vs. formulated flame speed. Conversely, the enhanced numerics enabled through the SDF field reinitialization and improved chemistry source term improve simulation stability and smooth flame propagation even with significantly larger solver time-steps.

42 ENGINEERING↗