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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Numerical simulations of turbulent molecular clouds regulated by radiation feedback forces. I. Star formation rate and efficiency

Radiation feedback from stellar clusters is expected to play a key role in setting the rate and efficiency of star formation in giant molecular clouds. To investigate how radiation forces influence realistic turbulent systems, we have conducted a series of numerical simulations employing the Hyperion radiation hydrodynamics solver, considering the regime that is optically thick to ultraviolet and optically thin to infrared radiation. Our model clouds cover initial surface densities between Σ{sub cl,0}∼10--300 M{sub ⊙} pc{sup −2}, with varying initial turbulence. We follow them through turbulent, self-gravitating collapse, star cluster formation, and cloud dispersal by stellar radiation. All our models display a log-normal distribution of gas surface density Σ; for an initial virial parameter α{sub vir,0}=2, the log-normal standard deviation is σ{sub lnΣ}=1--1.5 and the star formation rate coefficient ε{sub ff, ρ-bar }=0.3--0.5, both of which are sensitive to turbulence but not radiation feedback. The net star formation efficiency (SFE) ε{sub final} increases with Σ{sub cl,0} and decreases with α{sub vir,0}. We interpret these results via a simple conceptual framework, whereby steady star formation increases the radiation force, such that local gas patches at successively higher Σ become unbound. Based on this formalism (with fixed σ{sub lnΣ}), we provide an analytic upper bound on ε{sub final}, which is in good agreement with our numerical results. The final SFE depends on the distribution of Eddington ratios in the cloud and is strongly increased by the turbulent compression of gas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

High-Fidelity, Low-Dissipation/Symmetry-Preserving Numerical Scheme for Solving the Euler Equations with Unstructured, Metric-Based Mesh Adaptation

This work presents an overview of a high-fidelity compressible Euler solver that utilizes the continuous Galerkin (CG) method with added artificial numerical diffusion for stabilization to solve a variety of unsteady and steady benchmark inviscid flow problems. This work shows that discretizing the Euler equations with this CG approach and first order basis functions produces a cost-effective stencil as well as simple well-posed boundary conditions. We show through convergence testing with manufactured solutions that the reduced stencil of CG, combined with the low amount of artificial diffusion required when using the stabilization method outlined in this work, leads to stable and highly accurate results for a variety of unsteady and steady applications. When combined with the adaptive mesh refinement approach used for many of the cases in this work, our results show that the flow solver achieves even more accurate results. A variety of inviscid flow cases are presented in this work, including transient 2D cases with complex shock structures and several steady 3D airfoils sections with a constant span.

Doetsch, Kevin [ORNL] (ORCID:0000000267051705)↗
DOE OSTI2024

R-Adaptivity to Enable Compression of Elementary Computations in Extreme-Scale Finite Element Simulators

Modern computing systems are capable of exascale calculations, which are revolutionizing the development and application of high-fidelity numerical models in computational science and engineering. While these systems continue to grow in processing power, the available system memory has not increased commensurately, and electrical power consumption continues to grow. A predominant approach to limit the memory usage in large-scale applications is to exploit the abundant processing power and continually recompute many low-level simulation quantities, rather than storing them. However, this approach can adversely impact the throughput of the simulation and diminish the benefits of modern computing architectures. We present three novel contributions to reduce the memory burden while maintaining, and sometimes improving, performance in simulations based on finite element discretizations. The first contribution develops dictionary-based data compression schemes that detect and exploit the structure of the discretization, due to redundancies across the finite element mesh. While these schemes are shown to reduce memory requirements by more than 99% on meshes with large numbers of identical mesh cells, there are applications where this structure does not exist. The second contribution leverages a recently developed augmented Lagrangian optimization algorithm to enable r-adaptivity for meshes with the goal of enhancing the redundancies in the mesh. The third contribution extends these methods to patch-based linear solvers and preconditioners by compressing local matrices. Numerical results demonstrate the effectiveness of the proposed methods to detect, enhance and exploit mesh structure on a suite of examples inspired by large-scale applications.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2017

Best Practices for Unstructured Grid Shock-Fitting

Unstructured grid solvers have well-known issues predicting surface heat fluxes when strong shocks are present. Various efforts have been made to address the underlying numerical issues that cause the erroneous predictions. The present work addresses some of the shortcomings of unstructured grid solvers, not by addressing the numerics, but by applying structured grid best practices to unstructured grids. A methodology for robust shock detection and shock-fitting is outlined and applied to production-relevant cases. Results

McCoud, Peter L.↗
DOE OSTI2022

Numerical Investigation of the Spark Discharge Process in a Crossflow

The present study numerically investigates the spark discharge process under crossflow conditions using a thermal equilibrium plasma solver that fully couples the electromagnetic physics and fluid dynamics in a computational framework. Numerical results are validated by the comparison with experimental data. Here, the spark discharge experiment is performed in a constant volume vessel using an inductive coil ignition system for automotive applications, and the evolution of the spark channel is measured using high-speed imaging. The crossflow in the gap between the spark-plug electrodes is generated by a rotating fan with two different fan speeds, and the flow velocity across the gap is characterized by particle image velocimetry (PIV) measurement. A computational fluid dynamics (CFD) solver is employed to simulate the crossflow and provide the flow field variables (velocity, pressure, temperature) to the plasma solver. The crossflow velocity predicted in the flow simulation agrees well with the PIV data in that the non-uniform velocity profiles at monitoring points are reproduced by the CFD code. With the crossflow initialization in the plasma solver, the simulated spark discharge process from the breakdown to spark discharge matches the experimental data, including the voltage and circuit waveforms and the high-speed images of the spark channel evolution. The stretch of spark channel captured by plasma simulations agrees with the measured data. The plasma simulation reveals that the mean temperature of the spark channel is maintained at 5000 K during the discharge phase, and the temperature varies along the spark channel so that the highest value is obtained at the spark root on the center electrode. Overall, the results presented in this paper are meant to provide valuable information about the properties of the plasma generated by the spark discharge.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1987

Navier-Stokes cascade analysis with a stiff Kappa-Epsilon turbulence solver

The two dimensional, compressible, thin layer Navier-Stokes equations with the Baldwin-Lomax turbulence model and the kinetic energy-energy dissipation (k-epsilon) model are solved numerically to simulate the flow through a cascade. The governing equations are solved for the entire flow domain, without the boundary layer assumptions. The stiffness of the k-epsilon equations is discussed. A semi-implicit, Runge-Kutta, time-marching scheme is developed to solve the k-epsilon equations. The impact of the k-epsilon solver on the explicit Runge-Kutta Navier-Stokes solver is discussed. Numerical solutions are presented for two dimensional turbulent flow over a flat plate and a double circular arc cascade and compared with experimental data.

Liu, Jong-Shang↗
NASA NTRS1988

Navier-Stokes cascade analysis with a stiff k-epsilon turbulence solver

The two dimensional, compressible, thin layer Navier-Stokes equations with the Baldwin-Lomax turbulence model and the kinetic energy-energy dissipation (k-epsilon) model are solved numerically to simulate the flow through a cascade. The governing equations are solved for the entire flow domain, without the boundary layer assumptions. The stiffness of the k-epsilon equations is discussed. A semi-implicit, Runge-Kutta, time-marching scheme is developed to solve the k-epsilon equations. The impact of the k-epsilon solver on the explicit Runge-Kutta Navier-Stokes solver is discussed. Numerical solutions are presented for two dimensional turbulent flow over a flat plate and a double circular arc cascade and compared with experimental data.

Liu, Jong-Shang↗
DOE OSTI2021

Validation of numerical models for seismic fluid-structure-interaction analysis of nuclear, safety-related equipment

Seismic design, qualification, and risk assessment of nuclear safety-related vessels filled with liquid will have to consider the interaction between the vessel (tank), the contained liquid, and submerged components, if any. Seismic fluid-structure-interaction (FSI) analysis of nuclear vessels will rely on numerical models, which are required to be verified and validated. This study validates previously-verified numerical models using test data generated from earthquake-simulator experiments involving a cylindrical tank. Two solvers in LS-DYNA for FSI simulations are used for the numerical analysis: Arbitrary-Lagrangian-Eulerian (ALE) and Incompressible Computational Fluid Dynamics (ICFD). Numerical and test results are compared for responses critical to seismic design of advanced reactor vessels: hydrodynamic pressures on the tank wall, reactions at the support, and wave heights of the contained liquid. Analysis is performed for one-, two-, and three-directional seismic inputs with a range of intensity, and rocking motions. The accuracy of the numerical results and different methods for outputting wave heights are discussed. Recommendations for validation of seismic FSI numerical models of advanced reactors are provided. As a result, the validation exercise presented in this study is broadly applicable to cylindrical tanks, regardless of industry sector.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2015

Self-consistent simulation of CdTe solar cells with active defects

We demonstrate a self-consistent numerical scheme for simulating an electronic device which contains active defects. As a specific case, we consider copper defects in cadmium telluride solar cells. The presence of copper has been shown experimentally to play a crucial role in predicting device performance. The primary source of this copper is migration away from the back contact during annealing, which likely occurs predominantly along grain boundaries. We introduce a mathematical scheme for simulating this effect in 2D and explain the numerical implementation of the system. Finally, we will give numerical results comparing our results to known 1D simulations to demonstrate the accuracy of the solver and then show results unique to the 2D case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2000

Numerical Solutions to the Third CAA Workshop Benchmark Problems

This paper presents numerical solutions to the problems of propagation of sound waves through a transonic nozzle, shock-sound interactions, and automobile noise involving feedback of the third NASA Computational Aeroacoustics (CAA) Workshop on benchmark problems. The numerical algorithm is based on a dual time scheme for temporal discretization and a third-order finite volume scheme for spatial discretization. The aims of this study are to apply a dual time stepping scheme to treat aeroacoustic problems of sound propagation and to validate our CAA solver with the benchmark problems for developing a numerical tool for noise analysis and control.

Loh, Roy H.↗
DOE OSTI2022

Novel Solver Algorithms for Nearly Singular Linear Systems Arising in Combustion Modelling

Direct Numerical Simulations of realistic combustion devices are extremely challenging due to the wide separation of scales in the simulation, for example an internal combustion (IC) engine chamber, and the flame thickness of a high-pressure flame. The PeleLMeX solver uses adaptive mesh refinement (AMR) to evolve multi-species reacting flows in the low Mach number limit at the Exascale and relies on an embedded boundary (EB) approach to represent complex geometries. In that framework, the EB geometries often give rise to very small cut-cells along the boundary, which translate into extreme ill-conditioning of the pressure-projection, with eigenvalues that span 15-16 orders of magnitude. In this talk, we focus on the case of a typical IC piston bowl geometry for which we present on a novel approach towards solving these nearly singular linear systems with ILU-based, C-AMG smoothers on massively parallel architectures. In particular, we use scaling and equilibration algorithms to handle the non-normality of the upper triangular factors. This enables us to approximate the highly sequential triangular solve algorithm, embedded in the AMG smoothing-solve phase, with Jacobi iterations. This approximation can be written as a convergent Neumann series whose terms are composed of highly parallel sparse matrix vector multiplications. The result is an algorithm that substantially decreases setup and solve time, compared to state-of-the-art, for these challenging linear systems.

combustion modelling↗
NASA NTRS1991

A parallel-vector equation solver for unsymmetric matrices on supercomputers

A parallel-vector unsymmetric equation solver is presented. The solver exploits both vector and parallel capabilities provided by modern, high-performance supercomputers. A special storage scheme and loop-unrolling technique are used to optimize the vector performance. A parallel FORTRAN language is used to develop the solver on the CRAY 2 and CRAY Y-MP multiple processing computer environment. Three numerical examples are presented which demonstrate the efficiency and accuracy of this equation solver. The first two examples demonstrate the improved performance, and the third example utilizes the proposed solver to solve a highly nonlinear, unsymmetric finite element formulation for panel flutter.

Qin, J.↗
DOE OSTI2023

Quasi-static magnetic compression of field-reversed configuration plasma: amended scalings and limits from two-dimensional MHD equilibrium

In this work, several key scaling laws of the quasi-static magnetic compression of field reversed configuration (FRC) plasma (Spencer et al 1983 Phys. Fluids 26 1564) are amended from a series of two-dimensional FRC MHD equilibriums numerically obtained using the Grad–Shafranov equation solver NIMEQ. Based on the new scaling for the elongation and the magnetic fields at the separatrix and the wall, the empirically stable limits for the compression ratio, the fusion gain, and the neutron yield are evaluated, which may serve as a more accurate estimate for the upper ceiling of performance from the magnetic compression of FRC plasma as a potential fusion energy as well as neutron source devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Estimating an airborne dipole source using 3-D wavefield simulations and seismic receivers on the ground

Acoustic signals can couple to the ground, providing an opportunity to use seismic stations to investigate airborne sources. The study of Bishop et al. used wavefield simulations in a fluid-solid medium to quantify the role of topography on the seismic (ground) recordings of a monopole source in the air. We build upon this study by linking wavefield forward modelling with the source estimation code MTUQ, which can accommodate point forces or moment tensors in a solid medium, as well as sources in the air (or water) if they are enabled by the forward-modelling solver. We perform a series of synthetic numerical experiments to demonstrate that a dipole airborne source can be estimated using ground-based receivers, even within the presence of realistic topography. We investigate the influence of receiver coverage, topography, and assumed source location on the estimated results. The established capabilities raise the prospects for future efforts to estimate dipole sources in 3-D models that include heterogeneity in the air and the earth in addition to topography.

58 GEOSCIENCES↗
DOE OSTI2016

Forces for structural optimizations in correlated materials within a DFT+embedded DMFT functional approach

Here, we implemented the derivative of the free energy functional with respect to the atom displacements, so called force, within the combination of density functional theory and the embedded dynamical mean-field theory. We show that in combination with the numerically exact quantum Monte Carlo (MC) impurity solver, the MC noise cancels to a great extend, so that the method can be used very efficiently for structural optimization of correlated electron materials. As an application of the method, we show how strengthening of the fluctuating moment in FeSe superconductor leads to a substantial increase of the anion height, and consequently to a very large effective mass, and also strong orbital differentiation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Multiorbital Quantum Impurity Solver for General Interactions and Hybridizations

Here we present a numerically exact inchworm Monte Carlo method for equilibrium multiorbital quantum impurity problems with general interactions and hybridizations. We show that the method, originally developed to overcome the dynamical sign problem in certain real-time propagation problems, can also overcome the sign problem as a function of temperature for equilibrium quantum impurity models. This is shown in several cases where the current method of choice, the continuous-time hybridization expansion, fails due to the sign problem. Our method therefore enables simulations of impurity problems as they appear in embedding theories without further approximations, such as the truncation of the hybridization or interaction structure or a discretization of the impurity bath with a set of discrete energy levels, and eliminates a crucial bottleneck in the simulation of ab initio embedding problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Is the Orbital-Selective Mott Phase Stable against Interorbital Hopping?

The localization-delocalization transition is at the heart of strong correlation physics. Recently, there is great interest in multiorbital systems where this transition can be restricted to certain orbitals, leading to an orbital-selective Mott phase (OSMP). Theoretically, the OSMP is widely studied for kinetically decoupled orbitals, but the effect of interorbital hopping remains unclear. Here, we show how nonlocal interorbital hopping leads to local hybridization in single-site dynamical mean-field theory (DMFT). Under fairly general circumstances, this implies that, at zero temperature, the OSMP, involving the Mott-insulating state of one orbital, is unstable against interorbital hopping to a different, metallic orbital. We further show that the coherence scale below which all electrons are itinerant is very small and gets exponentially suppressed even if the interorbital hopping is not overly small. Within this framework, the OSMP with interorbital hopping may thus reach down to extremely low temperatures T, but not to T = 0. Accordingly, it is part of a coherence-incoherence crossover and not a quantum critical point. Finally, we present analytical arguments supported by numerical results using the numerical renormalization group as a DMFT impurity solver. We also compare our findings with previous slave-spin studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗