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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

Asymptotic analysis of discrete schemes for non-equilibrium radiation diffusion

Motivated by providing well-behaved fully discrete schemes in practice, this paper extends the asymptotic analysis on time integration methods for non-equilibrium radiation diffusion in [2] to space discretizations. Therein studies were carried out on a two-temperature model with Larsen's flux-limited diffusion operator, both the implicitly balanced (IB) and linearly implicit (LI) methods were shown asymptotic-preserving. In this paper, we focus on asymptotic analysis for space discrete schemes in dimensions one and two. First, in construction of the schemes, in contrast to traditional first-order approximations, asymmetric second-order accurate spatial approximations are devised for flux-limiters on boundary, and discrete schemes with second-order accuracy on global spatial domain are acquired consequently. Then by employing formal asymptotic analysis, the first-order asymptotic-preserving property for these schemes and furthermore for the fully discrete schemes is shown. Finally, with the help of manufactured solutions, numerical tests are performed, which demonstrate quantitatively the fully discrete schemes with IB time evolution indeed have the accuracy and asymptotic convergence as theory predicts, hence are well qualified for both non-equilibrium and equilibrium radiation diffusion. - Highlights: • Provide AP fully discrete schemes for non-equilibrium radiation diffusion. • Propose second order accurate schemes by asymmetric approach for boundary flux-limiter. • Show first order AP property of spatially and fully discrete schemes with IB evolution. • Devise subtle artificial solutions; verify accuracy and AP property quantitatively. • Ideas can be generalized to 3-dimensional problems and higher order implicit schemes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

High‐order methods for low Reynolds number flows around moving obstacles based on universal meshes

Summary We propose a family of methods for simulating two‐dimensional incompressible, low Reynolds number flow around a moving obstacle whose motion is prescribed. The methods make use of a universal mesh: a fixed background mesh that adapts to the geometry of the immersed obstacle at all times by adjusting a few elements in the neighborhood of the obstacle's boundary. The resulting mesh provides a conforming triangulation of the fluid domain over which discretizations of any desired order of accuracy in space and time can be constructed using standard finite element spaces together with off‐the‐shelf time integrators. We demonstrate the approach by using Taylor‐Hood elements to approximate the fluid velocity and pressure. To integrate in time, we consider implicit Runge‐Kutta schemes as well as a fractional step scheme. We illustrate the methods and study their convergence numerically via examples that involve flow around obstacles that undergo prescribed deformations. Copyright © 2015 John Wiley & Sons, Ltd.

Gawlik, Evan S.↗
DOE OSTI2018

Multiscale two-stage solver for Biot’s poroelasticity equations in subsurface media

In this paper, we propose a two-stage preconditioner for accelerating the iterative solution by a Krylov subspace method of Biot’s poroelasticity equations based on a displacement-pressure formulation. The spatial discretization combines a finite element method for mechanics and a finite volume approach for flow. The fully implicit backward Euler scheme is used for time integration. The result is a 2 × 2 block linear system for each timestep. The preconditioning operator is obtained by applying a two-stage scheme. The first stage is a global preconditioner that employs multiscale basis functions to construct coarse-scale coupled systems using a Galerkin projection. This global stage is effective at damping low-frequency error modes associated with long-range coupling of the unknowns. The second stage is a local block-triangular smoothing preconditioner, which is aimed at high-frequency error modes associated with short-range coupling of the variables. Lastly, various numerical experiments are used to demonstrate the robustness of the proposed solver.

58 GEOSCIENCES↗
DOE OSTI2017

Newton-Krylov method in solving drift-flux two-phase flow problems for both pre-CHF and post-CHF conditions at steady state

Furthermore, this paper presents numerical simulations of two-phase flow heat transfer for both pre-CHF and post-CHF conditions typical in light water nuclear reactors. The conjugate heat transfer problem is modeled with one-dimensional drift-flux two-phase flow model for coolant flow and two-dimensional heat conduction equation in solid walls. Fully implicit time integration schemes were employed, and the resulted non-linear equations were solved with a Newton-Krylov method. For the drift-flux two-phase flow model, the EPRI drift-flux closure correlation is used to model the relative motion between the two phases. Additional closure correlations were adopted from REALP5-3D to determine two-phase flow regime, wall boiling heat and mass transfer, interfacial heat and mass transfer, and two-phase flow frictional pressure drop. Three sets of experiments were used for code validation, including Bartolomei subcooled flow boiling in vertical pipes, FRIGG boiling tests in vertical bundles, and Bennett heated tube tests. RELAP5-3D simulation results were also provided to perform code-to-code benchmark. Overall, numerical results of this work showed good agreements with both experimental data and RELAP5-3D simulation results. Discrepancy between them were also identified in post-CHF region, which suggests necessary further improvement.

42 ENGINEERING↗
DOE OSTI2017

An overlapping Domain Decomposition preconditioning method for monolithic solution of shear bands

Metals subjected to high strain rate impact often exhibit a sudden and profound drop in the material’s load bearing capability, a ductile failure phenomenon known as shear banding. Shear bands, characterized as material instabilities, are driven by shear heating and described as narrow regions that have sustained intense plastic deformation and high temperature rise. This coupled thermo-mechanical localization problem can be formulated as a nonlinear system with two balance equations, momentum and energy, and two constitutive laws for elasticity and plasticity. Here in our formulation, mixed finite elements are used to discretize the equations in space and an implicit finite difference scheme is used to advance the system in time, where at every time step, a Newton type method is used to solve the system monolithically. To that end, a block Jacobian matrix is formed analytically using Gâteaux derivatives. The resulting Jacobian is sparse, nonsymmetric and its sparsity pattern and eigenvalue content vary with the different stages of shear bands formation, consequently posing a significant challenge to iterative solvers. To address this issue, an overlapping Domain Decomposition preconditioner that takes into account the physics of shear bands and the domain in which it forms, is proposed. The key idea is to resolve the shear band domain accurately while only solving the remaining domain approximately, with selective updates when necessary. The preconditioner is formed on the basis of an additive Schwartz method that is applied to a Schur complement partition of the system. The proposed preconditioner is implemented in parallel and tested on three different benchmark problems as compared against off-the-shelf solvers. We study the effect of h- and k-refinement that are obtained from Isogeometric discretizations of the system, the overlapping strategy and its parallel performance. Excellent performance is demonstrated in serial and parallel on all benchmark examples.

42 ENGINEERING↗
DOE OSTI2017

Data driven modeling of plastic deformation

In this paper the application of machine learning techniques for the development of constitutive material models is being investigated. A flow stress model, for strain rates ranging from 10 –4 to 10 12 (quasi-static to highly dynamic), and temperatures ranging from room temperature to over 1000 K, is obtained by beginning directly with experimental stress-strain data for Copper. An incrementally objective and fully implicit time integration scheme is employed to integrate the hypo-elastic constitutive model, which is then implemented into a finite element code for evaluation. Accuracy and performance of the flow stress models derived from symbolic regression are assessed by comparison to Taylor anvil impact data. The results obtained with the free-form constitutive material model are compared to well-established strength models such as the Preston-Tonks-Wallace (PTW) model and the Mechanical Threshold Stress (MTS) model. Here, preliminary results show candidate free-form models comparing well with data in regions of stress-strain space with sufficient experimental data, pointing to a potential means for both rapid prototyping in future model development, as well as the use of machine learning in capturing more data as a guide for more advanced model development.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Compressible, multiphase semi-implicit method with moment of fluid interface representation

A unified method for simulating multiphase flows using an exactly mass, momentum, and energy conserving Cell-Integrated Semi-Lagrangian advection algorithm is presented. The deforming material boundaries are represented using the moment-of-fluid method. Our new algorithm uses a semi-implicit pressure update scheme that asymptotically preserves the standard incompressible pressure projection method in the limit of infinite sound speed. The asymptotically preserving attribute makes the new method applicable to compressible and incompressible flows including stiff materials; enabling large time steps characteristic of incompressible flow algorithms rather than the small time steps required by explicit methods. Moreover, shocks are captured and material discontinuities are tracked, without the aid of any approximate or exact Riemann solvers. As a result, wimulations of underwater explosions and fluid jetting in one, two, and three dimensions are presented which illustrate the effectiveness of the new algorithm at efficiently computing multiphase flows containing shock waves and material discontinuities with large “impedance mismatch.”

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

An adjoint method for a high-order discretization of deforming domain conservation laws for optimization of flow problems

We report the fully discrete adjoint equations and the corresponding adjoint method are derived for a globally high-order accurate discretization of conservation laws on parametrized, deforming domains. The conservation law on the deforming domain is transformed into one on a fixed reference domain by the introduction of a time-dependent mapping that encapsulates the domain deformation and parametrization, resulting in an Arbitrary Lagrangian–Eulerian form of the governing equations. A high-order discontinuous Galerkin method is used to discretize the transformed equation in space and a high-order diagonally implicit Runge–Kutta scheme is used for the temporal discretization. Quantities of interest that take the form of space–time integrals are discretized in a solver-consistent manner. The corresponding fully discrete adjoint method is used to compute exact gradients of quantities of interest along the manifold of solutions of the fully discrete conservation law. These quantities of interest and their gradients are used in the context of gradient-based PDE-constrained optimization. The adjoint method is used to solve two optimal shape and control problems governed by the isentropic, compressible Navier–Stokes equations. The first optimization problem seeks the energetically optimal trajectory of a 2D airfoil given a required initial and final spatial position. The optimization solver, driven by gradients computed via the adjoint method, reduced the total energy required to complete the specified mission nearly an order of magnitude. The second optimization problem seeks the energetically optimal flapping motion and time-morphed geometry of a 2D airfoil given an equality constraint on the x-directed impulse generated on the airfoil. The optimization solver satisfied the impulse constraint to greater than 8 digits of accuracy and reduced the required energy between a factor of 2 and 10, depending on the value of the impulse constraint, as compared to the nominal configuration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Efficient algorithms and implementations of entropy-based moment closures for rarefied gases

We present efficient algorithms and implementations of the 35-moment system equipped with the maximum-entropy closure in the context of rarefied gases. While closures based on the principle of entropy maximization have been shown to yield very promising results for moderately rarefied gas flows, the computational cost of these closures is in general much higher than for closure theories with explicit closed-form expressions of the closing fluxes, such as Grad's classical closure. Following a similar approach as Garrett et al. (2015) , we investigate efficient implementations of the computationally expensive numerical quadrature method used for the moment evaluations of the maximum-entropy distribution by exploiting its inherent fine-grained parallelism with the parallelism offered by multi-core processors and graphics cards. We show that using a single graphics card as an accelerator allows speed-ups of two orders of magnitude when compared to a serial CPU implementation. To accelerate the time-to-solution for steady-state problems, we propose a new semi-implicit time discretization scheme. The resulting nonlinear system of equations is solved with a Newton type method in the Lagrange multipliers of the dual optimization problem in order to reduce the computational cost. Additionally, fully explicit time-stepping schemes of first and second order accuracy are presented. We investigate the accuracy and efficiency of the numerical schemes for several numerical test cases, including a steady-state shock-structure problem.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

A scalable nonlinear fluid–structure interaction solver based on a Schwarz preconditioner with isogeometric unstructured coarse spaces in 3D

Nonlinear fluid-structure interaction (FSI) problems on unstructured meshes in 3D appear many applications in science and engineering, such as vibration analysis of aircrafts and patient-specific diagnosis of cardiovascular diseases. In this work, we develop a highly scalable, parallel algorithmic and software framework for FSI problems consisting of a nonlinear fluid system and a nonlinear solid system, that are coupled monolithically. The FSI system is discretized by a stabilized finite element method in space and a fully implicit backward difference scheme in time. To solve the large, sparse system of nonlinear algebraic equations at each time step, we propose an inexact Newton-Krylov method together with a multilevel, smoothed Schwarz preconditioner with isogeometric coarse meshes generated by a geometry preserving coarsening algorithm. Here ''geometry'' includes the boundary of the computational domain and the wet interface between the fluid and the solid. We show numerically that the proposed algorithm and implementation are highly scalable in terms of the number of linear and nonlinear iterations and the total compute time on a supercomputer with more than 10,000 processor cores for several problems with hundreds of millions of unknowns.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Modeling of non-equilibrium phenomena in expanding flows by means of a collisional-radiative model

The effects of non-equilibrium in a quasi-one-dimensional nozzle flow are investigated by means of a collisional-radiative model. The gas undergoing the expansion is an air plasma and consists of atoms, molecules, and free electrons. In the present analysis, the electronic excited states of atomic and molecular species are treated as separate pseudo-species. Rotational and vibrational energy modes are assumed to be populated according to Boltzmann distributions. The coupling between radiation and gas dynamics is accounted for, in simplified manner, by using escape factors. The flow governing equations for the steady quasi-one-dimensional flow are written in conservative form and discretized in space by means of a finite volume method. Steady-state solutions are obtained by using a fully implicit time integration scheme. The analysis of the evolution of the electronic distribution functions reveals a substantial over-population of the high-lying excited levels of atoms and molecules in correspondence of the nozzle exit. The influence of optical thickness is also studied. The results clearly demonstrate that the radiative transitions, within the optically thin approximation, drastically reduce the over-population of high-lying electronic levels.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Effect of radiation and magnetohydrodynamic free convection boundary layer flow on a solid sphere with Newtonian heating in a micropolar fluid

In this paper, the effect of radiation on magnetohydrodynamic free convection boundary layer flow on a solid sphere with Newtonian heating in a micropolar fluid, in which the heat transfer from the surface is proportional to the local surface temperature, is considered. The transformed boundary layer equations in the form of nonlinear partial differential equations are solved numerically using an implicit finite difference scheme known as the Keller-box method. Numerical solutions are obtained for the local wall temperature and the local skin friction coefficient, as well as the velocity, angular velocity and temperature profiles. The features of the flow and heat transfer characteristics for various values of the Prandtl number Pr, micropolar parameter K, magnetic parameter M, radiation parameter N{sub R}, the conjugate parameter γ and the coordinate running along the surface of the sphere, x are analyzed and discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Magnetohydrodynamic simulation study of plasma jets and plasma-surface contact in coaxial plasma accelerators

Recent experiments by Loebner et al. [IEEE Trans. Plasma Sci. 44, 1534 (2016)] studied the effect of a hypervelocity jet emanating from a coaxial plasma accelerator incident on target surfaces in an effort to mimic the transient loading created during edge localized mode disruption events in fusion plasmas. In this study, we present a magnetohydrodynamic (MHD) numerical model to simulate plasma jet formation and plasma-surface contact in this coaxial plasma accelerator experiment. The MHD system of equations is spatially discretized using a cell-centered finite volume formulation. The temporal discretization is performed using a fully implicit backward Euler scheme and the resultant stiff system of nonlinear equations is solved using the Newton method. The numerical model is employed to obtain some key insights into the physical processes responsible for the generation of extreme stagnation conditions on the target surfaces. Simulations of the plume (without the target plate) are performed to isolate and study phenomena such as the magnetic pinch effect that is responsible for launching pressure pulses into the jet free stream. The simulations also yield insights into the incipient conditions responsible for producing the pinch, such as the formation of conductive channels. The jet-target impact studies indicate the existence of two distinct stages involved in the plasma-surface interaction. A fast transient stage characterized by a thin normal shock transitions into a pseudo-steady stage that exhibits an extended oblique shock structure. A quadratic scaling of the pinch and stagnation conditions with the total current discharged between the electrodes is in qualitative agreement with the results obtained in the experiments. Finally, this also illustrates the dominant contribution of the magnetic pressure term in determining the magnitude of the quantities of interest.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Data-driven linear time advance operators for the acceleration of plasma physics simulation

In this study, we demonstrate the application of data-driven linear operator construction for time advance with a goal of accelerating plasma physics simulation. We apply dynamic mode decomposition (DMD) to data produced by the nonlinear SOLPS-ITER (Scrape-off Layer Plasma Simulator - International Thermonuclear Experimental Reactor) plasma boundary code suite in order to estimate a series of linear operators and monitor their predictive accuracy via online error analysis. We find that this approach defines when these dynamics can be represented by a sequence of approximate linear operators and is essential for providing consistent projections when compared to an unconstrained application. For linear diffusion and advection–diffusion fluid test problems, we construct and apply operators within explicit and implicit time advance schemes, demonstrating that stability can be robustly guaranteed in each case. We further investigate the use of the linear time advance operators within several integration methods including forward Euler, backward Euler, and the matrix exponential. The application of this method to simulation data from SOLPS-ITER, with varying levels of Markov chain Monte Carlo numerical noise, shows that constrained DMD operators yield a capability to identify, extract, and integrate a (slow) subset of the present timescales. Example applications show that for projected speedup factors of [Formula: see text], and [Formula: see text], a mean relative error of 3%, 5%, and 8% and maximum relative error less than 20% are achievable, which appears acceptable for typical SOLPS-ITER steady-state simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Isotropic model of fractional transport in two-dimensional bounded domains

A two-dimensional fractional Laplacian operator is derived and used to model nonlocal, nondiffusive transport. This integro-differential operator appears in the long-wavelength, fluid description of quantities undergoing non-Brownian random walks without characteristic length scale. To study bounded domains, a mask function is introduced that modifies the kernel in the fractional Laplacian and removes singularities at the boundary. Green's function solutions to the fractional diffusion equation are presented for the unbounded domain and compared to the one-dimensional Cartesian approximations. A time-implicit numerical integration scheme is presented to study fractional diffusion in a circular disk with azimuthal symmetry. Numerical studies of steady-state reveal temperature profiles in which the heat flux and temperature gradient are in the same direction, i.e., uphill transport. The response to off-axis heating, scaling of confinement time with system size, and propagation of cold pulses are investigated.

ADVECTION-DISPERSION EQUATIONS↗
DOE OSTI2019

High-Order Preconditioners for Modern Computing Architectures: Line-Based Discontinuous Galerkin Method on GPUs

The goals of our project are to be able to overcome issues that plague computing in modern architecture such as limited memory bandwidth, badly conditioned Jacobians, and restrictive time steps. We begin by describing the line-based discontinuous Galerkin (line DG) method for a scalar two-dimensional problem. Line DG has been shown to provide a significant increase in sparsity for Jacobian matrix, especially in the diagonal block elements. In addition to this, the implicit time integration scheme helps alleviate the time step restriction but requires solving a (potentially badly conditioned) linear system. We can precondition the linear system to facilitate the solution. Since we want to solve the system on the GPU, the increase in sparsity from the line DG method is helpful to alleviate the memory issue. We successfully implemented a computation of the Jacobian on the CPU and are currently working on the GPU implementation. Finally, I discuss how this opportunity to intern at Lawrence Livermore National Laboratory through the National Science Foundation Mathematical Sciences Graduate Internship has affected my personal and professional growth.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Non-Intrusive Inference Reduced Order Model for Fluids Using Deep Multistep Neural Network

In this effort we propose a data-driven learning framework for reduced order modeling of fluid dynamics. Designing accurate and efficient reduced order models for nonlinear fluid dynamic problems is challenging for many practical engineering applications. Classical projection-based model reduction methods generate reduced systems by projecting full-order differential operators into low-dimensional subspaces. However, these techniques usually lead to severe instabilities in the presence of highly nonlinear dynamics, which dramatically deteriorates the accuracy of the reduced-order models. In contrast, our new framework exploits linear multistep networks, based on implicit Adams–Moulton schemes, to construct the reduced system. The advantage is that the method optimally approximates the full order model in the low-dimensional space with a given supervised learning task. Moreover, our approach is non-intrusive, such that it can be applied to other complex nonlinear dynamical systems with sophisticated legacy codes. We demonstrate the performance of our method through the numerical simulation of a two-dimensional flow past a circular cylinder with Reynolds number Re = 100. The results reveal that the new data-driven model is significantly more accurate than standard projection-based approaches.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

DYNAMICAL ACCRETION OF PRIMORDIAL ATMOSPHERES AROUND PLANETS WITH MASSES BETWEEN 0.1 AND 5 M {sub ⊕} IN THE HABITABLE ZONE

In the early, disk-embedded phase of evolution of terrestrial planets, a protoplanetary core can accumulate gas from the circumstellar disk into a planetary envelope. In order to relate the accumulation and structure of this primordial atmosphere to the thermal evolution of the planetary core, we calculated atmosphere models characterized by the surface temperature of the core. We considered cores with masses between 0.1 and 5 M {sub ⊕} situated in the habitable zone around a solar-like star. The time-dependent simulations in 1D-spherical symmetry include the hydrodynamics equations, gray radiative transport, and convective energy transport. Using an implicit time integration scheme, we can use large time steps and and thus efficiently cover evolutionary timescales. Our results show that planetary atmospheres, when considered with reference to a fixed core temperature, are not necessarily stable, and multiple solutions may exist for one core temperature. As the structure and properties of nebula-embedded planetary atmospheres are an inherently time-dependent problem, we calculated estimates for the amount of primordial atmosphere by simulating the accretion process of disk gas onto planetary cores and the subsequent evolution of the embedded atmospheres. The temperature of the planetary core is thereby determined from the computation of the internal energy budget of the core. For cores more massive than about one Earth mass, we obtain that a comparatively short duration of the disk-embedded phase (∼10{sup 5} years) is sufficient for the accumulation of significant amounts of hydrogen atmosphere that are unlikely to be removed by later atmospheric escape processes.

79 ASTRONOMY AND ASTROPHYSICS↗