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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

An Optimization study on a hybrid computer

The maximum principle is applied to minimum-time optimal-control problems, and an optimization algorithm is presented which can be implemented on a hybrid computer. The state and adjoint equations are set up on ASTRAC 2, a high-speed analog computer capable of 1000 differential equation solutions per second. The optimization algorithm is implemented on a PDP-9, an 18-bit, digital computer. The optimization scheme has global and local search phases and uses a vector optimization criterion. Second and third-order bang-bang control systems are studied as examples.

Gonzalez, R. S.↗
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 OSTI2020

Blood flow imaging by optimal matching of computational fluid dynamics to 4D-flow data

Three-dimensional, time-resolved blood flow measurement (4D-flow) is a powerful research and clinical tool, but improved resolution and scan times are needed. Therefore, this study aims to (1) present a postprocessing framework for optimization-driven simulation-based flow imaging, called 4D-flow High-resolution Imaging with a priori Knowledge Incorporating the Navier-Stokes equations and the discontinuous Galerkin method (4D-flow HIKING), (2) investigate the framework in synthetic tests, (3) perform phantom validation using laser particle imaging velocimetry, and (4) demonstrate the use of the framework in vivo. An optimizing computational fluid dynamics solver including adjoint-based optimization was developed to fit computational fluid dynamics solutions to 4D-flow data. Synthetic tests were performed in 2D, and phantom validation was performed with pulsatile flow. Reference velocity data were acquired using particle imaging velocimetry, and 4D-flow data were acquired at 1.5 T. In vivo testing was performed on intracranial arteries in a healthy volunteer at 7 T, with 2D flow as the reference. Results Synthetic tests showed low error (0.4%-0.7%). Phantom validation showed improved agreement with laser particle imaging velocimetry compared with input 4D-flow in the horizontal (mean -0.05 vs -1.11 cm/s, P < .001; SD 1.86 vs 4.26 cm/s, P < .001) and vertical directions (mean 0.05 vs -0.04 cm/s, P = .29; SD 1.36 vs 3.95 cm/s, P < .001). In vivo data show a reduction in flow rate error from 14% to 3.5%. Phantom and in vivo results from 4D-flow HIKING show promise for future applications with higher resolution, shorter scan times, and accurate quantification of physiological parameters.

4D-flow MRI↗
DOE OSTI2022

A mixed, unified forward/inverse framework for earthquake problems: fault implementation and coseismic slip estimate

SUMMARY We introduce a new finite-element (FE) based computational framework to solve forward and inverse elastic deformation problems for earthquake faulting via the adjoint method. Based on two advanced computational libraries, FEniCS and hIPPYlib for the forward and inverse problems, respectively, this framework is flexible, transparent and easily extensible. We represent a fault discontinuity through a mixed FE elasticity formulation, which approximates the stress with higher order accuracy and exposes the prescribed slip explicitly in the variational form without using conventional split node and decomposition discrete approaches. This also allows the first order optimality condition, that is the vanishing of the gradient, to be expressed in continuous form, which leads to consistent discretizations of all field variables, including the slip. We show comparisons with the standard, pure displacement formulation and a model containing an in-plane mode II crack, whose slip is prescribed via the split node technique. We demonstrate the potential of this new computational framework by performing a linear coseismic slip inversion through adjoint-based optimization methods, without requiring computation of elastic Green’s functions. Specifically, we consider a penalized least squares formulation, which in a Bayesian setting—under the assumption of Gaussian noise and prior—reflects the negative log of the posterior distribution. The comparison of the inversion results with a standard, linear inverse theory approach based on Okada’s solutions shows analogous results. Preliminary uncertainties are estimated via eigenvalue analysis of the Hessian of the penalized least squares objective function. Our implementation is fully open-source and Jupyter notebooks to reproduce our results are provided. The extension to a fully Bayesian framework for detailed uncertainty quantification and non-linear inversions, including for heterogeneous media earthquake problems, will be analysed in a forthcoming paper.

58 GEOSCIENCES↗
NASA NTRS1999

Sensitivity of Lumped Constraints Using the Adjoint Method

Adjoint sensitivity calculation of stress, buckling and displacement constraints may be much less expensive than direct sensitivity calculation when the number of load cases is large. Adjoint stress and displacement sensitivities are available in the literature. Expressions for local buckling sensitivity of isotropic plate elements are derived in this study. Computational efficiency of the adjoint method is sensitive to the number of constraints and, therefore, the method benefits from constraint lumping. A continuum version of the Kreisselmeier-Steinhauser (KS) function is chosen to lump constraints. The adjoint and direct methods are compared for three examples: a truss structure, a simple HSCT wing model, and a large HSCT model. These sensitivity derivatives are then used in optimization.

Akgun, Mehmet A.↗
NASA NTRS2016

Development of a High-Order Space-Time Matrix-Free Adjoint Solver

The growth in computational power and algorithm development in the past few decades has granted the science and engineering community the ability to simulate flows over complex geometries, thus making Computational Fluid Dynamics (CFD) tools indispensable in analysis and design. Currently, one of the pacing items limiting the utility of CFD for general problems is the prediction of unsteady turbulent ows.1{3 Reynolds-averaged Navier-Stokes (RANS) methods, which predict a time-invariant mean flowfield, struggle to provide consistent predictions when encountering even mild separation, such as the side-of-body separation at a wing-body junction. NASA's Transformative Tools and Technologies project is developing both numerical methods and physical modeling approaches to improve the prediction of separated flows. A major focus of this e ort is efficient methods for resolving the unsteady fluctuations occurring in these flows to provide valuable engineering data of the time-accurate flow field for buffet analysis, vortex shedding, etc. This approach encompasses unsteady RANS (URANS), large-eddy simulations (LES), and hybrid LES-RANS approaches such as Detached Eddy Simulations (DES). These unsteady approaches are inherently more expensive than traditional engineering RANS approaches, hence every e ort to mitigate this cost must be leveraged. Arguably, the most cost-effective approach to improve the efficiency of unsteady methods is the optimal placement of the spatial and temporal degrees of freedom (DOF) using solution-adaptive methods.

Adjoint↗
DOE OSTI2016

Adjoint-based sensitivity analysis for high-energy density radiative transfer using flux-limited diffusion

Uncertainty quantification and sensitivity analyses are a vital component for predictive modeling in the sciences and engineering. The adjoint approach to sensitivity analysis requires solving a primary system of equations and a mathematically related set of adjoint equations. The information contained in the equations can be combined to produce sensitivity information in a computationally efficient manner. Here in this work, sensitivity analyses are performed on systems described by flux-limited radiative diffusion using the adjoint approach. The sensitivities computed are shown to agree with standard perturbation theory and require significantly less computational time. The adjoint approach saves the computational cost of one forward solve per sensitivity, making the method attractive when multiple sensitivities are of interest.

42 ENGINEERING↗
NASA NTRS2026

A Modular Conjugate Heat Transfer Optimization Framework for Thermal Management of Electric Aircraft

Conjugate heat transfer (CHT) analysis and optimization is a powerful method for improving thermal management, as it simultaneously resolves the temperature distribution in both fluid and solid domains. This paper presents a modular, discrete adjoint-based CHT optimization capability integrated within the OpenMDAO/MPhys framework. A unique feature of the proposed framework is its flexibility to extend to multidisciplinary optimization, including aero-structural-thermal applications. The fluid domain is modeled using a finite-volume Computational Fluid Dynamics (CFD) solver, and the solid domain with a conduction heat transfer solver. A mixed Neumann-Dirichlet boundary condition is developed to enable full submersion of the solid geometry within the fluid domain, while ensuring consistent temperature and heat flux coupling at the CHT interface. Gradient-based optimization is performed; the gradients are efficiently computed using the discrete adjoint solvers implemented in DAFoam. To demonstrate the method, this paper considers two cases related to electric aircraft thermal management: a U-bend heat exchanger and an actively cooled battery pack. The U-bend case aims to minimize pressure loss while maximizing heat flux by changing the pipe geometry. The optimized design reduces pressure loss by 52.7% and increases total heat flux by 2.3%. In the battery pack case, a 3-by-3 cell configuration is cooled by ambient airflow, with constant heat generation prescribed in the cells. The battery casing shape serves as the design variable, and the objective function is a weighted sum of pressure loss and pack weight, subject to a maximum temperature constraint. The optimized design achieves a 44.6% reduction in pressure loss and a 1.5% reduction in weight, while satisfying the thermal constraint. To ensure the reliability of the optimized designs, this study validates coarse-mesh, steady-state predictions against fine-mesh unsteady simulations, demonstrating consistency within acceptable errors. This work demonstrates the potential of the developed framework to enable rapid, high-fidelity design of thermal management systems for electric aircraft.

heat transfer↗
DOE OSTI2016

Asynchronous Two-Level Checkpointing Scheme for Large-Scale Adjoints in the Spectral-Element Solver Nek5000

Adjoints are an important computational tool for large-scale sensitivity evaluation, uncertainty quantification, and derivative-based optimization. An essential component of their performance is the storage/recomputation balance in which efficient checkpointing methods play a key role. We introduce a novel asynchronous two-level adjoint checkpointing scheme for multistep numerical time discretizations targeted at large-scale numerical simulations. The checkpointing scheme combines bandwidth-limited disk checkpointing and binomial memory checkpointing. Based on assumptions about the target petascale systems, which we later demonstrate to be realistic on the IBM Blue Gene/Q system Mira, we create a model of the expected performance of our checkpointing approach and validate it using the highly scalable Navier-Stokes spectralelement solver Nek5000 on small to moderate subsystems of the Mira supercomputer. In turn, this allows us to predict optimal algorithmic choices when using all of Mira. We also demonstrate that two-level checkpointing is significantly superior to single-level checkpointing when adjoining a large number of time integration steps. To our knowledge, this is the first time two-level checkpointing had been designed, implemented, tuned, and demonstrated on fluid dynamics codes at large scale of 50k+ cores.

Adjoints↗
NASA NTRS2002

Adjoint-Based, Three-Dimensional Error Prediction and Grid Adaptation

Engineering computational fluid dynamics (CFD) analysis and design applications focus on output functions (e.g., lift, drag). Errors in these output functions are generally unknown and conservatively accurate solutions may be computed. Computable error estimates can offer the possibility to minimize computational work for a prescribed error tolerance. Such an estimate can be computed by solving the flow equations and the linear adjoint problem for the functional of interest. The computational mesh can be modified to minimize the uncertainty of a computed error estimate. This robust mesh-adaptation procedure automatically terminates when the simulation is within a user specified error tolerance. This procedure for estimating and adapting to error in a functional is demonstrated for three-dimensional Euler problems. An adaptive mesh procedure that links to a Computer Aided Design (CAD) surface representation is demonstrated for wing, wing-body, and extruded high lift airfoil configurations. The error estimation and adaptation procedure yielded corrected functions that are as accurate as functions calculated on uniformly refined grids with ten times as many grid points.

Park, Michael A.↗
DOE OSTI2016

An optimized treatment for algorithmic differentiation of an important glaciological fixed-point problem

We apply an optimized method to the adjoint generation of a time-evolving land ice model through algorithmic differentiation (AD). The optimization involves a special treatment of the fixed-point iteration required to solve the nonlinear stress balance, which differs from a straightforward application of AD software, and leads to smaller memory requirements and in some cases shorter computation times of the adjoint. The optimization is done via implementation of the algorithm of Christianson (1994) for reverse accumulation of fixed-point problems, with the AD tool OpenAD. For test problems, the optimized adjoint is shown to have far lower memory requirements, potentially enabling larger problem sizes on memory-limited machines. In the case of the land ice model, implementation of the algorithm allows further optimization by having the adjoint model solve a sequence of linear systems with identical (as opposed to varying) matrices, greatly improving performance. Finally, the methods introduced here will be of value to other efforts applying AD tools to ice models, particularly ones which solve a hybrid shallow ice/shallow shelf approximation to the Stokes equations.

58 GEOSCIENCES↗
DOE OSTI2019

Multi-scale topology optimization of multi-material structures with controllable geometric complexity — Applications to heat transfer problems

This study presents a topology optimization method to design assemblies of periodic cellular materials with controllable geometric complexity. The framework is based on a novel multi-scale and multi-material design model in which the structure, the layout of the material subdomains, and their micro-structures are optimized concurrently. To allow a tight control over its geometrical complexity, the layout at the macro-scale is described by level-set fields, parameterized by geometric primitives. The micro-scale geometry is represented through a density approach. A nonlinear programming algorithm drives the optimization process using design sensitivities computed by the discrete adjoint method. The proposed design framework is studied with heat transfer problems. Practical design problems, such as a heat sink and a thermal storage unit with phase change are discussed. The macro-scale analysis model relies on a generalized transient diffusion equation. At the micro-scale, homogenization is used to compute equivalent material properties. The numerical examples in this study show that the optimized multi-scale multi-material layouts outperform the corresponding mono-scale structures while maintaining geometric simplicity at the macro-scale level.

42 ENGINEERING↗
DOE OSTI2017

Optimization of wind plant layouts using an adjoint approach

Abstract. Using adjoint optimization and three-dimensional steady-state Reynolds-averaged Navier–Stokes (RANS) simulations, we present a new gradient-based approach for optimally siting wind turbines within utility-scale wind plants. By solving the adjoint equations of the flow model, the gradients needed for optimization are found at a cost that is independent of the number of control variables, thereby permitting optimization of large wind plants with many turbine locations. Moreover, compared to the common approach of superimposing prescribed wake deficits onto linearized flow models, the computational efficiency of the adjoint approach allows the use of higher-fidelity RANS flow models which can capture nonlinear turbulent flow physics within a wind plant. The steady-state RANS flow model is implemented in the Python finite-element package FEniCS and the derivation and solution of the discrete adjoint equations are automated within the dolfin-adjoint framework. Gradient-based optimization of wind turbine locations is demonstrated for idealized test cases that reveal new optimization heuristics such as rotational symmetry, local speedups, and nonlinear wake curvature effects. Layout optimization is also demonstrated on more complex wind rose shapes, including a full annual energy production (AEP) layout optimization over 36 inflow directions and 5 wind speed bins.

17 WIND ENERGY↗
DOE OSTI2011

The fast neutron fluence and the activation detector activity calculations using the effective source method and the adjoint function

This paper describes the application of effective source in forward calculations and the adjoint method to the solution of fast neutron fluence and activation detector activities in the reactor pressure vessel (RPV) and RPV cavity of a VVER-440 reactor. Its objective is the demonstration of both methods on a practical task. The effective source method applies the Boltzmann transport operator to time integrated source data in order to obtain neutron fluence and detector activities. By weighting the source data by time dependent decay of the detector activity, the result of the calculation is the detector activity. Alternatively, if the weighting is uniform with respect to time, the result is the fluence. The approach works because of the inherent linearity of radiation transport in non-multiplying time-invariant media. Integrated in this way, the source data are referred to as the effective source. The effective source in the forward calculations method thereby enables the analyst to replace numerous intensive transport calculations with a single transport calculation in which the time dependence and magnitude of the source are correctly represented. In this work, the effective source method has been expanded slightly in the following way: neutron source data were performed with few group method calculation using the active core calculation code MOBY-DICK. The follow-up neutron transport calculation was performed using the neutron transport code TORT to perform multigroup calculations. For comparison, an alternative method of calculation has been used based upon adjoint functions of the Boltzmann transport equation. Calculation of the three-dimensional (3-D) adjoint function for each required computational outcome has been obtained using the deterministic code TORT and the cross section library BGL440. Adjoint functions appropriate to the required fast neutron flux density and neutron reaction rates have been calculated for several significant points within the RPV and RPV cavity of the VVER-440 reacto rand located axially at the position of maximum power and at the position of the weld. Both of these methods (the effective source and the adjoint function) are briefly described in the present paper. The paper also describes their application to the solution of fast neutron fluence and detectors activities for the VVER-440 reactor. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

An autoencoder compression approach for accelerating large-scale inverse problems

Abstract Partial differential equation (PDE)-constrained inverse problems are some of the most challenging and computationally demanding problems in computational science today. Fine meshes required to accurately compute the PDE solution introduce an enormous number of parameters and require large-scale computing resources such as more processors and more memory to solve such systems in a reasonable time. For inverse problems constrained by time-dependent PDEs, the adjoint method often employed to compute gradients and higher order derivatives efficiently requires solving a time-reversed, so-called adjoint PDE that depends on the forward PDE solution at each timestep. This necessitates the storage of a high-dimensional forward solution vector at every timestep. Such a procedure quickly exhausts the available memory resources. Several approaches that trade additional computation for reduced memory footprint have been proposed to mitigate the memory bottleneck, including checkpointing and compression strategies. In this work, we propose a close-to-ideal scalable compression approach using autoencoders to eliminate the need for checkpointing and substantial memory storage, thereby reducing the time-to-solution and memory requirements. We compare our approach with checkpointing and an off-the-shelf compression approach on an earth-scale ill-posed seismic inverse problem. The results verify the expected close-to-ideal speedup for the gradient and Hessian-vector product using the proposed autoencoder compression approach. To highlight the usefulness of the proposed approach, we combine the autoencoder compression with the data-informed active subspace (DIAS) prior showing how the DIAS method can be affordably extended to large-scale problems without the need for checkpointing and large memory.

Mathematics↗
DOE OSTI2016

Acceleration Techniques using ADVANTG for the MDF Design and Optimization

The Spallation Neutron Source (SNS) facility at Oak Ridge National Laboratory (ORNL) is implementing a Moderator Demonstration Facility (MDF) to demonstrate the performance characteristics of advanced moderators central to the Second Target Station (STS) for SNS. The MDF will provide a small, short-pulsed neutron source for slow neutron production in which we intend to easily and quickly change from one moderator concept to another, characterizing the performance of each moderator in a reproducible and consistent fashion. The MDF will be unique and innovative amongst the world's moderator test facilities in that it will be intended to be very prototypic in terms of 'moderator illumination' - the spatial variation of the neutron flux entering the moderator itself - as well as capable of testing so-called high-brightness moderators in a wing configuration. During the design phase of the MDF, the Monte Carlo N-Particle transport code MCNPX v.2.7.0 is being used as the primary tool for the neutronic analysis of the facility and characterization of the moderator performance. The Automated Variance Reduction Generator (ADVANTG) code is being utilized to accelerate the MCNPX calculations. The ADVANTG code generates space- and energy-dependent weight window parameters for a successive MCNP run by calculating the adjoint flux with the Denovo discrete ordinates code based on the user defined MCNP tally. We have tested various strategies using ADVANTG to generate weight window parameters to efficiently calculate detailed moderator performance. Using point detector response functions for weight window parameter optimization with ADVANTG did not work well for improving the efficiency of Monte Carlo calculations of neutron emission into beam lines. However, using cell fluxes of the area of highest contributions to the point detector for the variance reduction parameter analysis worked very well and improved the FOM of the calculation of neutron emission into a beamline by a factor of 50 over the unbiased case. (authors)

42 ENGINEERING↗