SEARCH · Search NASA

Results for “implicit method”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 793 records · Page 44

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Compositional Methods for Schrödinger's Equation with Application to Optimal Control

The evolution of the state of a quantum computer is governed by Schrödinger's equation. We introduce compositional methods, a way to increase the order of symmetric methods by replacing one timestep by multiple timesteps. We perform several numerical experiments, including a simulation of a two qubit CNOT gate, using compositional variants of Störmer-Verlet and the implicit midpoint rule. We observe that the compositional methods demonstrate greater computational efficiency than the base methods when the desired error tolerance is less than ~ 10 -4 to 10 -5 . We discuss the trade-offs of using each compositional method, as well as differences between using Störmer-Verlet or the implicit midpoint rule as the base integrator of the compositional methods.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Evaluation of Implicit‐Explicit Additive Runge‐Kutta Integrators for the HOMME‐NH Dynamical Core

Abstract The nonhydrostatic High‐Order Method Modeling Environment (HOMME‐NH) atmospheric dynamical core supports acoustic waves that propagate significantly faster than the advective wind speed, thus greatly limiting the time step size that can be used with standard explicit time integration methods. Resolving acoustic waves is unnecessary for accurate climate and weather prediction. This numerical stiffness is addressed herein by considering implicit‐explicit additive Runge‐Kutta (ARK IMEX) methods that can treat the acoustic waves in a stable manner without requiring implicit treatment of nonstiff modes. Various ARK IMEX methods are evaluated for their efficiency in producing accurate solutions, ability to take large time step sizes, and sensitivity to grid cell length ratio. Both the gravity wave test and baroclinic instability test from the 2012 Dynamical Core Model Intercomparison Project are used to recommend 5 of the 27 ARK IMEX methods tested for use in HOMME‐NH.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1990

Multigrid solution of unsteady Navier-Stokes equations using a pressure method

A multigrid relaxation method is applied to a pressure-based implicit procedure to solve unseady, incompressible Navier-Stokes equations. The present multigrid method is a Correction Scheme according to Brandt. This method is used to solve the scalar matrices resulting from the finite-volume formulation and uses flux averaging as the restriction operator. The accuracy and computational efficiency are demonstrated with a steady state driven cavity flow and an unsteady flow over a circular cylinder case. The results are compared with single grid results using the OrthoMin conjugate gradient method and experimental data.

Jiang, Y.↗

DOE OSTI2019

Simulation of unsteady blood flows in a patient-specific compliant pulmonary artery with a highly parallel monolithically coupled fluid-structure interaction algorithm

Computational fluid dynamics (CFD) is increasingly used to study blood flows in patient-specific arteries for understanding certain cardiovascular diseases. The techniques work quite well for relatively simple problems, but need improvements when the problems become harder in the case when (1) the geometry becomes complex (from a few branches to a full pulmonary artery), (2) the model becomes more complex (from fluid-only calculation to coupled fluid-structure interaction calculation), (3) both the fluid and wall models become highly nonlinear, and (4) the computer on which we run the simulation is a supercomputer with tens of thousands of processor cores. To push the limit of CFD in all four fronts, in this paper, we develop and study a highly parallel algorithm for solving a monolithically coupled fluid-structure system for the modeling of the interaction of the blood flow and the arterial wall. As a case study, we consider a patient-specific, full size pulmonary artery obtained from CT (Computed Tomography) images, with an artificially added layer of wall with a fixed thickness. The fluid is modeled with a system of incompressible Navier-Stokes equations and the wall is modeled by a geometrically nonlinear elasticity equation. As far as we know this is the first time the unsteady blood flow in a full pulmonary artery is simulated without assuming a rigid wall. We report the proposed numerical algorithm and software scale well beyond 10,000 processor cores on a supercomputer for solving the fluid-structure interaction problem discretized with a stabilized finite element method in space and an implicit scheme in time involving hundreds of millions of unknowns.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

Parallel transport dynamics for mixed quantum states with applications to time-dependent density functional theory

Direct simulation of the von Neumann dynamics for a general (pure or mixed) quantum state can often be expensive. One prominent example is the real-time time-dependent density functional theory (rt-TDDFT), a widely used framework for the first principle description of many-electron dynamics in chemical and materials systems. Practical rt-TDDFT calculations often avoid the direct simulation of the von Neumann equation, and solve instead a set of Schrödinger equations, of which the dynamics is equivalent to that of the von Neumann equation. However, the time step size employed by the Schrödinger dynamics is often much smaller. Here, in order to improve the time step size and the overall efficiency of the simulation, we generalize a recent work of the parallel transport (PT) dynamics for simulating pure states [An, Lin, Multiscale Model. Simul. 18, 612, 2020] to general quantum states. The PT dynamics provides the optimal gauge choice, and can employ a time step size comparable to that of the von Neumann dynamics. Going beyond the linear and near adiabatic regime in previous studies, we find that the error of the PT dynamics can be bounded by certain commutators between Hamiltonians, density matrices, and their derived quantities. Such a commutator structure is not present in the Schrödinger dynamics. We demonstrate that the parallel transport-implicit midpoint (PT-IM) method is a suitable method for simulating the PT dynamics, especially when the spectral radius of the Hamiltonian is large. The commutator structure of the error bound, and numerical results for model rt-TDDFT calculations in both linear and nonlinear regimes, confirm the advantage of the PT dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Constrained quantum optimization for extractive summarization on a trapped-ion quantum computer

Abstract Realizing the potential of near-term quantum computers to solve industry-relevant constrained-optimization problems is a promising path to quantum advantage. In this work, we consider the extractive summarization constrained-optimization problem and demonstrate the largest-to-date execution of a quantum optimization algorithm that natively preserves constraints on quantum hardware. We report results with the Quantum Alternating Operator Ansatz algorithm with a Hamming-weight-preserving XY mixer (XY-QAOA) on trapped-ion quantum computer. We successfully execute XY-QAOA circuits that restrict the quantum evolution to the in-constraint subspace, using up to 20 qubits and a two-qubit gate depth of up to 159. We demonstrate the necessity of directly encoding the constraints into the quantum circuit by showing the trade-off between the in-constraint probability and the quality of the solution that is implicit if unconstrained quantum optimization methods are used. We show that this trade-off makes choosing good parameters difficult in general. We compare XY-QAOA to the Layer Variational Quantum Eigensolver algorithm, which has a highly expressive constant-depth circuit, and the Quantum Approximate Optimization Algorithm. We discuss the respective trade-offs of the algorithms and implications for their execution on near-term quantum hardware.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Self-heating and failure in scalable graphene devices

Self-heating induced failure of graphene devices synthesized from both chemical vapor deposition (CVD) and epitaxial means is compared using a combination of infrared thermography and Raman imaging. Despite a larger thermal resistance, CVD devices dissipate >3x the amount of power before failure than their epitaxial counterparts. The discrepancy arises due to morphological irregularities implicit to the graphene synthesis method that induce localized heating. As a result, morphology, rather than thermal resistance, therefore dictates power handling limits in graphene devices.

36 MATERIALS SCIENCE↗

DOE OSTI2023

On the convergence of an IEQ-based first-order semi-discrete scheme for the Beris-Edwards system

We present a convergence analysis of an unconditionally energy-stable first-order semi-discrete numerical scheme designed for a hydrodynamic Q-tensor model, the so-called Beris-Edwards system, based on the Invariant Energy Quadratization Method (IEQ). The model consists of the Navier–Stokes equations for the fluid flow, coupled to the Q-tensor gradient flow describing the liquid crystal molecule alignment. By using the Invariant Energy Quadratization Method, we obtain a linearly implicit scheme, accelerating the computational speed. However, this introduces an auxiliary variable to replace the bulk potential energy and it is a priori unclear whether the reformulated system is equivalent to the Beris-Edward system. In this work, we prove stability properties of the scheme and show its convergence to a weak solution of the coupled liquid crystal system. We also demonstrate the equivalence of the reformulated and original systems in the weak sense.

Weber, Franziska↗

DOE OSTI2016

Ion temperature and gas pressure effects on the magnetized sheath dynamics during plasma immersion ion implantation

Here, a collisional magnetized plasma with finite ion temperature is considered to examine the effects of the ion temperature and gas pressure on the plasma-sheath dynamics. We use the two-fluid model of plasma-sheath where the nonlinear equations of a dynamic sheath are solved using a full implicit scheme of finite difference method along with some convenient initial and boundary conditions at the plasma center and target. It is found that the ion temperature only has a significant effect on the characteristics of low voltage sheath, while the gas pressure (collision rate) seriously affects the dynamic characteristics of the low and high voltage plasma-sheath. One can see, increasing the ion temperature in low voltage plasma-sheath causes to increase the temporal curve of the ion dose and the ion impact energy on the target, reduces the temporal curve of the sheath width, and has no any effect on the temporal curve of the ion incident angle on the target. However, rising the gas pressure in low and high voltage plasma-sheath reduces all of these temporal curves.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Bound-preserving finite element approximations of the Keller–Segel equations

We report this paper aims to develop numerical approximations of the Keller–Segel equations that mimic at the discrete level the lower bounds and the energy law of the continuous problem. We solve these equations for two unknowns: the organism (or cell) density, which is a positive variable, and the chemoattractant density, which is a non-negative variable. We propose two algorithms, which combine a stabilized finite element method and a semi-implicit time integration. The stabilization consists of a nonlinear artificial diffusion that employs a graph-Laplacian operator and a shock detector that localizes local extrema. As a result, both algorithms turn out to be nonlinear and can generate cell and chemoattractant numerical densities fulfilling lower bounds. However, the first algorithm requires a suitable constraint between the space and time discrete parameters, whereas the second one does not. We design the latter to attain a discrete energy law on acute meshes. We report some numerical experiments to validate the theoretical results on blowup and nonblowup phenomena. In the blowup setting, we identify a locking phenomenon that relates the L ∞ (Ω)-norm to the L 1 (Ω)-norm limiting the growth of the singularity when supported on a macroelement.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1978

Numerical solution of the Navier-Stokes equations for super-sonic flows with strong shocks

The numerical solution of the full Navier-Stokes Equations for viscous flows with high Mach numbers and a strong detached bow shock was obtained. Two dimensional flows around a circular cylinder, and a circular cylinder with an aft-body in the form of a fairing, were considered. The solution of the compressible N.S. equations was accomplished by the method of finite differences. An implicit scheme of solution, the S.O.R., was used with the optimum acceleration parameters determined by trial and error. The tensor notation was used in writing the N-S Equations transformed into general curvilinear coordinates. The equations for the generation of the coordinate system were solved, followed by the solution of the N.S. equations, at the end of a set of given number of time steps. "Wiggles", constituted the one major problem that needed to be overcome. These oscillations give rise to quantities such as negative temperatures, which ultimately caused the computational program to break down. Certain dissipative finite-difference schemes damped these oscillations.

Devarayalu, K.↗

NASA NTRS1979

A split finite element algorithm for the compressible Navier-Stokes equations

An accurate and efficient numerical solution algorithm is established for solution of the high Reynolds number limit of the Navier-Stokes equations governing the multidimensional flow of a compressible essentially inviscid fluid. Finite element interpolation theory is used within a dissipative formulation established using Galerkin criteria within the Method of Weighted Residuals. An implicit iterative solution algorithm is developed, employing tensor product bases within a fractional steps integration procedure, that significantly enhances solution economy concurrent with sharply reduced computer hardware demands. The algorithm is evaluated for resolution of steep field gradients and coarse grid accuracy using both linear and quadratic tensor product interpolation bases. Numerical solutions for linear and nonlinear, one, two and three dimensional examples confirm and extend the linearized theoretical analyses, and results are compared to competitive finite difference derived algorithms.

Baker, A. J.↗

NASA NTRS1982

Computation of two-dimensional turbulent flow at subsonic Mach numbers over thick trailing edges

An implicit time marching finite difference method is used to predict two dimensional turbulent flow at a Reynolds number of 440,000 and a Mach number of 0.574 over a shortened NACA 0012 airfoil with a trailing edge of 4.5% thickness and semicircular shape. The flow is found to be unsteady but periodic in the trailing edge region. Thus, lift and drag fluctuate at small amplitudes around mean values and at distinct frequencies.

Drescher, P.↗

NASA NTRS1982

Numerical boundary condition procedures and multigrid methods; Proceedings of the Symposium, NASA Ames Research Center, Moffett Field, CA, October 19-22, 1981

Papers presented in this volume provide an overview of recent work on numerical boundary condition procedures and multigrid methods. The topics discussed include implicit boundary conditions for the solution of the parabolized Navier-Stokes equations for supersonic flows; far field boundary conditions for compressible flows; and influence of boundary approximations and conditions on finite-difference solutions. Papers are also presented on fully implicit shock tracking and on the stability of two-dimensional hyperbolic initial boundary value problems for explicit and implicit schemes.

Source record↗

NASA NTRS1985

Numerical simulation of compressible, turbulent, two-phase flow

A computer program for numerically simulating compressible, turbulent, two-phase flows is described and applied. Special attention is given to flows in which dust is ingested into the turbulent boundary layer behind shock waves moving over the earth's surface. it is assumed that the two phases are interpenetrating continua which are coupled by drag forces and heat transfer. The particle phase is assumed to be dilute, and turbulent effects are modeled by zero- and two-equation eddy viscosity models. An important feature of the turbulence modeling is the treatment of surface boundary conditions which control the ingestion of particles into the boundary layer by turbulent friction and diffusion. The numerical method uses second-order implicit upwind differencing of the inviscid terms of the equations and second-order central differencing of the viscous terms. A diagonal form of the implicit algorithm is used to improve efficiency, and the transformation to a curvilinear coordinate system is accomplished by the finite volume techniques. Applications to a series of representative flows include a two-phase nozzle flow, the steady flow of air over a sand bed, and the air flow behind a normal shock wave in uniform motion over a sand bed. Results of the latter two applications are compared with experimental results.

Coakley, t. J.↗

NASA NTRS1987

Computational and experimental investigation of cavity flowfields

This paper presents a computational and experimental investigation of supersonic flow past a cavity in a flat plate. The source of the particular interest in this problem is the ongoing study of the aerodynamic interference effects between a separating store and its bay in the parent body. An upwind relaxation scheme, utilizing flux vector splitting and line-Gauss-Seidel iterations, is used to solve Reynolds-averaged Navier-Stokes equations. Spatial discretizations of this two-dimensional analysis are based on implicit and finite-volume methods. Turbulence is modeled and shocks are captured. The flowfield of the symmetry plane at the half-width is computationally visualized and all flow properties are computed. Experimental tests are conducted in the Langley Unitary Plan Wind Tunnel to measure wall pressures and to capture schlieren photographs. Qualitative as well as quantitative data of computations and experiments agree very well. These two vehicles of investigation are merged to show open, closed and transitional cavity flow behaviors.

Baysal, O.↗

NASA NTRS1987

Efficient numerical simulation of an electrothermal de-icer pad

In this paper, a new approach to calculate the transient thermal behavior of an iced electrothermal de-icer pad was developed. The method of splines was used to obtain the temperature distribution within the layered pad. Splines were used in order to create a tridiagonal system of equations that could be directly solved by Gauss elimination. The Stefan problem was solved using the enthalpy method along with a recent implicit technique. Only one to three iterations were needed to locate the melt front during any time step. Computational times were shown to be greatly reduced over those of an existing one dimensional procedure without any reduction in accuracy; the curent technique was more than 10 times faster.

Roelke, R. J.↗

NASA NTRS1988

Three-dimensional multigrid algorithms for the flux-split Euler equations

The Full Approximation Scheme (FAS) multigrid method is applied to several implicit flux-split algorithms for solving the three-dimensional Euler equations in a body fitted coordinate system. Each of the splitting algorithms uses a variation of approximate factorization and is implemented in a finite volume formulation. The algorithms are all vectorizable with little or no scalar computation required. The flux vectors are split into upwind components using both the splittings of Steger-Warming and Van Leer. The stability and smoothing rate of each of the schemes are examined using a Fourier analysis of the complete system of equations. Results are presented for three-dimensional subsonic, transonic, and supersonic flows which demonstrate substantially improved convergence rates with the multigrid algorithm. The influence of using both a V-cycle and a W-cycle on the convergence is examined.

Anderson, W. Kyle↗