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NASA NTRSDate not supplied

Aerothermal Shape Optimization of Actively-Cooled Battery Packs Using Conjugate Heat Transfer

Thermal management for battery is important for electric aircraft because battery temperature is critically important to vehicle safety, and it also has direct impact on the efficiency of the battery system. Because ambient air is a readily available resource for aircraft, this paper considers an active cooling concept with forced convection of ambient air through the battery pack. Conjugate heat transfer analysis is used to solve the coupled aero-thermal problem, which consists of a finite-volume computational fluid dynamics solver for the fluid domain, and a conduction heat transfer solver for the solid domain. A mixed Neumann and Dirichlet boundary condition is developed for the fluid-solid interface, which allows the solid domain to completely submerge in the fluid domain. A gradient-based optimization method is adopted, and the discrete adjoint approach implemented in DAFoam is used to efficiently compute the gradients. The aero-thermal coupling for primal analysis and gradient computation is handled using the OpenMDAO-based MPhys framework. A constant heat source is prescribed for the battery cells, and the battery shape (design variable) is optimized to minimize cooling pump power and battery weight (composite objective function) while keeping the battery temperature below a threshold (constraint). The optimized design achieves a 44.6% and 1.5% reduction in the cooling pump power and battery weight, respectively, and the maximal temperature constraint is satisfied. This work has the potential to reduce battery-pack weight, improve performance, and reduce the weight of thermal management systems for electric vertical take-off and landing aircraft.

heat transfer↗

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↗

NASA NTRS1997

Variational Methods in Design Optimization and Sensitivity Analysis for Two-Dimensional Euler Equations

Variational methods (VM) sensitivity analysis employed to derive the costate (adjoint) equations, the transversality conditions, and the functional sensitivity derivatives. In the derivation of the sensitivity equations, the variational methods use the generalized calculus of variations, in which the variable boundary is considered as the design function. The converged solution of the state equations together with the converged solution of the costate equations are integrated along the domain boundary to uniquely determine the functional sensitivity derivatives with respect to the design function. The application of the variational methods to aerodynamic shape optimization problems is demonstrated for internal flow problems at supersonic Mach number range. The study shows, that while maintaining the accuracy of the functional sensitivity derivatives within the reasonable range for engineering prediction purposes, the variational methods show a substantial gain in computational efficiency, i.e., computer time and memory, when compared with the finite difference sensitivity analysis.

Ibrahim, A. H.↗

DOE OSTI2015

SU-D-210-03: Limited-View Multi-Source Quantitative Photoacoustic Tomography

Purpose: This work is to investigate a novel limited-view multi-source acquisition scheme for the direct and simultaneous reconstruction of optical coefficients in quantitative photoacoustic tomography (QPAT), which has potentially improved signal-to-noise ratio and reduced data acquisition time. Methods: Conventional QPAT is often considered in two steps: first to reconstruct the initial acoustic pressure from the full-view ultrasonic data after each optical illumination, and then to quantitatively reconstruct optical coefficients (e.g., absorption and scattering coefficients) from the initial acoustic pressure, using multi-source or multi-wavelength scheme.Based on a novel limited-view multi-source scheme here, We have to consider the direct reconstruction of optical coefficients from the ultrasonic data, since the initial acoustic pressure can no longer be reconstructed as an intermediate variable due to the incomplete acoustic data in the proposed limited-view scheme. In this work, based on a coupled photo-acoustic forward model combining diffusion approximation and wave equation, we develop a limited-memory Quasi-Newton method (LBFGS) for image reconstruction that utilizes the adjoint forward problem for fast computation of gradients. Furthermore, the tensor framelet sparsity is utilized to improve the image reconstruction which is solved by Alternative Direction Method of Multipliers (ADMM). Results: The simulation was performed on a modified Shepp-Logan phantom to validate the feasibility of the proposed limited-view scheme and its corresponding image reconstruction algorithms. Conclusion: A limited-view multi-source QPAT scheme is proposed, i.e., the partial-view acoustic data acquisition accompanying each optical illumination, and then the simultaneous rotations of both optical sources and ultrasonic detectors for next optical illumination. Moreover, LBFGS and ADMM algorithms are developed for the direct reconstruction of optical coefficients from the acoustic data. Jing Feng and Hao Gao were partially supported by the NSFC (#11405105), the 973 Program (#2015CB856000) and the Shanghai Pujiang Talent Program (#14PJ1404500)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

A flexible linear diffusion acceleration to k-eigenvalue neutron transport with SN discontinuous finite element method

In this paper, we derive a flexible linear diffusion acceleration (LDA) for k-eigenvalue neutron transport discretized with discontinuous finite element method (DFEM) and discrete ordinates(SN). This LDA is based on our two pieces of previous works: the flexible non linear diffusion acceleration (NDA) for DFEM-SN and LDA for k-eigenvalue neutron transport using pre-conditioned Jacobian-free Newton-Krylov with self-adjoint angular flux (SAAF), continuous finite element method(CFEM), and SN. We point out the differences between LDA and NDA for DFEM-SN and the difference between DFEM-SN and SAAF-CFEM-SN for LDA. Numerical tests are presented to compare the convergence behaviour of NDA and LDA. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Singular value decomposition of adjoint flux distributions for Monte Carlo variance reduction

Monte Carlo (MC) shielding calculations often use weight windows (WWs) and biased sources formed from a deterministic estimate of the adjoint flux to improve the convergence rate of tallies. This requires a significant amount of computer memory, which can limit the memory available for high-resolution tally output. A new method is proposed for reducing these memory requirements by using singular value decomposition (SVD) in linear or logarithmic space to approximate the adjoint flux. This method’s performance is evaluated using the Shift and Denovo codes for streaming and diffusion base case problems, followed by problems using the Westinghouse AP1000 and the Joint European Torus. The log SVD reduced WW memory requirements by an order of magnitude in all cases without a significant performance penalty. Additionally, the linear SVD reduced biased source memory requirements by an order of magnitude, but further investigation is needed to account for observed limitations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2018

Parallelizable adjoint stencil computations using transposed forward-mode algorithmic differentiation

Algorithmic differentiation (AD) is a tool for generating discrete adjoint solvers, which efficiently compute gradients of functions with many inputs, for example for use in gradient-based optimization. AD is often applied to large computations such as stencil operators, which are an important part of most structured-mesh PDE solvers. Stencil computations are often parallelized, for example by using OpenMP, and optimized by using techniques such as cache-blocking and tiling to fully utilize multicore CPUs and many-core accelerators and GPUs. Differentiating these codes with conventional reverse-mode AD results in adjoint codes that cannot be expressed as stencil operations and may not be easily parallelizable. They thus leave most of the compute power of modern architectures unused. We present a method that combines forward-mode AD and loop transformation to generate adjoint solvers that use the same memory access pattern as the original computation that they are derived from and can benefit from the same optimization techniques. The effectiveness of this method is demonstrated by generating a scalable adjoint CFD solver for multicore CPUs and Xeon Phi accelerators.

algorithmic differentiation↗

DOE OSTI2012

Generalized Perturbation Theory-Free Sensitivity Analysis for Eigenvalue Problems

Generalized perturbation theory (GPT) has been recognized as the most computationally efficient approach for performing sensitivity analysis for models with many input parameters, which renders forward sensitivity analysis computationally overwhelming. In critical systems, GPT involves the solution of the adjoint form of the eigenvalue problem with a response-dependent fixed source. Although conceptually simple to implement, most neutronics codes that can solve the adjoint eigenvalue problem do not have a GPT capability unless envisioned during code development. We introduce in this manuscript a reduced-order modeling approach based on subspace methods that requires the solution of the fundamental adjoint equations but allows the generation of response sensitivities without the need to set up GPT equations, and that provides an estimate of the error resulting from the reduction. Moreover, the new approach solves the eigenvalue problem independently of the number or type of responses. This allows for an efficient computation of sensitivities when many responses are required. This paper introduces the theory and implementation details of the GPT-free approach and describes how the errors could be estimated as part of the analysis. The applicability is demonstrated by estimating the variations in the flux distribution everywhere in the phase space of a fast critical sphere and a high-temperature gas-cooled reactor prismatic lattice. The variations generated by the GPT-free approach are benchmarked to the exact variations generated by direct forward perturbations.

99 GENERAL AND MISCELLANEOUS↗

NASA NTRS1972

Eigenvalues of singular differential operators by finite difference methods. I.

Approximation of the eigenvalues of certain self-adjoint operators defined by a formal differential operator in a Hilbert space. In general, two problems are studied. The first is the problem of defining a suitable Hilbert space operator that has eigenvalues. The second problem concerns the finite difference operators to be used.

Baxley, J. V.↗

NASA NTRS1993

Feedback control for unsteady flow and its application to the stochastic Burgers equation

The study applies mathematical methods of control theory to the problem of control of fluid flow with the long-range objective of developing effective methods for the control of turbulent flows. Model problems are employed through the formalism and language of control theory to present the procedure of how to cast the problem of controlling turbulence into a problem in optimal control theory. Methods of calculus of variations through the adjoint state and gradient algorithms are used to present a suboptimal control and feedback procedure for stationary and time-dependent problems. Two types of controls are investigated: distributed and boundary controls. Several cases of both controls are numerically simulated to investigate the performances of the control algorithm. Most cases considered show significant reductions of the costs to be minimized. The dependence of the control algorithm on the time-descretization method is discussed.

Choi, Haecheon↗

DOE OSTI2016

Hybrid PN-SN Calculations with SAAF for the Multiscale Transport Capability in Rattlesnake

Two interface conditions, the Lagrange multiplier method and the upwinding method, for hybrid \pn-\sn calculations is proposed for the self-adjoint angular flux (SAAF) formulation of the transport equation using the continuous finite element method (FEM) for spatial discretization. These interface conditions are implemented in Rattlesnake, the radiation transport application built on MOOSE, for the on-going multiscale transport simulation effort at INL. For smoothing the solution at the interface for the Lagrange multiplier method, a method based on \sn Lagrange interpolation on the sphere is proposed. Numerical results indicate that the interface conditions give the expected convergence.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

A Feynman-Kac based numerical method for the exit time probability of a class of transport problems

The exit time probability, which gives the likelihood that an initial condition leaves a prescribed region of the phase space of a dynamical system at, or before, a given time, is arguably one of the most natural and important transport problems. In this work, we present an accurate and efficient numerical method for computing this probability for systems described by non-autonomous (time-dependent) stochastic differential equations (SDEs) or their equivalent Fokker-Planck partial differential equations. The method is based on the direct approximation of the Feynman-Kac formula that establishes a link between the adjoint Fokker-Planck equation and the forward SDE. The Feynman-Kac formula is approximated using the Gauss-Hermite quadrature rules and piecewise cubic Hermite interpolating polynomials, and a GPU accelerated matrix representation is used to compute the entire time evolution of the exit time probability using a single pass of the algorithm. The method is unconditionally stable, exhibits second order convergence in space, first order convergence in time, and it is straightforward to parallelize. Applications are presented to the advection diffusion of a passive tracer in a fluid flow exhibiting chaotic advection, and to the runaway acceleration of electrons in a plasma in the presence of an electric field, collisions, and radiation damping. Benchmarks against analytical solutions as well as comparisons with explicit and implicit finite difference standard methods for the adjoint Fokker-Planck equation are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Stabilized FE simulation of prototype thermal-hydraulics problems with integrated adjoint-based capabilities

A critical aspect of applying modern computational solution methods to complex multiphysics systems of relevance to nuclear reactor modeling, is the assessment of the predictive capability of specific proposed mathematical models. In this respect the understanding of numerical error, the sensitivity of the solution to parameters associated with input data, boundary condition uncertainty, and mathematical models is critical. Additionally, the ability to evaluate and or approximate the model efficiently, to allow development of a reasonable level of statistical diagnostics of the mathematical model and the physical system, is of central importance. In this study we report on initial efforts to apply integrated adjoint-based computational analysis and automatic differentiation tools to begin to address these issues. The study is carried out in the context of a Reynolds averaged Navier–Stokes approximation to turbulent fluid flow and heat transfer using a particular spatial discretization based on implicit fully-coupled stabilized FE methods. Initial results are presented that show the promise of these computational techniques in the context of nuclear reactor relevant prototype thermal-hydraulics problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1971

Comparison of a discrete steepest ascent method with the continuous steepest ascent method for optimal programing

A discrete steepest ascent method which allows controls which are not piecewise constant (for example, it allows all continuous piecewise linear controls) was derived for the solution of optimal programming problems. This method is based on the continuous steepest ascent method of Bryson and Denham and new concepts introduced by Kelley and Denham in their development of compatible adjoints for taking into account the effects of numerical integration. The method is a generalization of the algorithm suggested by Canon, Cullum, and Polak with the details of the gradient computation given. The discrete method was compared with the continuous method for an aerodynamics problem for which an analytic solution is given by Pontryagin's maximum principle, and numerical results are presented. The discrete method converges more rapidly than the continuous method at first, but then for some undetermined reason, loses its exponential convergence rate. A comparsion was also made for the algorithm of Canon, Cullum, and Polak using piecewise constant controls. This algorithm is very competitive with the continuous algorithm.

Childs, A. G.↗

NASA NTRS1996

Aerodynamic shape optimization using control theory

Aerodynamic shape design has long persisted as a difficult scientific challenge due its highly nonlinear flow physics and daunting geometric complexity. However, with the emergence of Computational Fluid Dynamics (CFD) it has become possible to make accurate predictions of flows which are not dominated by viscous effects. It is thus worthwhile to explore the extension of CFD methods for flow analysis to the treatment of aerodynamic shape design. Two new aerodynamic shape design methods are developed which combine existing CFD technology, optimal control theory, and numerical optimization techniques. Flow analysis methods for the potential flow equation and the Euler equations form the basis of the two respective design methods. In each case, optimal control theory is used to derive the adjoint differential equations, the solution of which provides the necessary gradient information to a numerical optimization method much more efficiently then by conventional finite differencing. Each technique uses a quasi-Newton numerical optimization algorithm to drive an aerodynamic objective function toward a minimum. An analytic grid perturbation method is developed to modify body fitted meshes to accommodate shape changes during the design process. Both Hicks-Henne perturbation functions and B-spline control points are explored as suitable design variables. The new methods prove to be computationally efficient and robust, and can be used for practical airfoil design including geometric and aerodynamic constraints. Objective functions are chosen to allow both inverse design to a target pressure distribution and wave drag minimization. Several design cases are presented for each method illustrating its practicality and efficiency. These include non-lifting and lifting airfoils operating at both subsonic and transonic conditions.

Reuther, James↗

NASA NTRSDate not supplied

Exergy-based Sensitivity Analysis of the Generic Hypersonic Vehicle using FUN3D

In this paper, the implementation of an exergy-based objective function and its adjoint gradient into NASA’s FUN3D solver is discussed and verified. In order to verify that the exergy-based functional is properly implemented, it is used to predict the drag of the Generic Hypersonic Vehicle (GHV), which is then compared to more traditional force-based drag predictions. In addition to the functional implementation, FUN3D’s adjoint capability was extended to obtain sensitivities. Results were verified using FUN3D’s native complex step method for di↵erentiation using a generic wing configuration. The complex and adjoint gradients yielded discrete agreement demonstrating correct implementation and that the functional can be used for gradient-based multidisciplinary analysis and optimization. Next, various trade studies are conducted on the GHV to understand the design space of the vehicle. Finally, an inverse design problem is solved to verify the utilized design optimization framework which is ready to be deployed for exergy-based optimizations in future work.

Neal L. Novotny↗

DOE OSTI2025

Automated Hybrid Variance Reduction on Advanced Architectures in the Shift Monte Carlo Code

Monte Carlo transport methods are the most accurate schemes for solving problems with complex energy and spatial features, but they come with a high computational cost. Although hybrid methods have enabled the use of Monte Carlo transport for a large class of problems, they still require significant computing resources. Modern multicore CPUs with large numbers of compute cores and graphical processing units (GPUs) provide opportunities to optimize the memory and run-time costs of hybrid Monte Carlo methods. This paper documents the development and analysis of three Monte Carlo transport algorithms that support hybrid transport using the consistent adjoint-driven importance sampling (CADIS) and forward-weighted CADIS methods in the Shift Monte Carlo code: history-based transport using static and dynamic threading on multicore CPUs and event-based transport enabling weight window tracking on GPUs. The results are shown for two challenging hybrid problems on the Frontier supercomputer at the Oak Ridge Leadership Computing Facility. The results show that all three methods yield good performance and enable solutions of difficult fixed-source transport problems in less than 2 min on 20 nodes of Frontier. Dynamic threading was observed to give up to 20% better scaling behavior than static threading. Moreover, the AMD Instinct 250X GPU was found to give 9 to 11 times greater throughput per graphics compute die than the best CPU performance. In conclusion, additional opportunities for optimization of hybrid transport on GPUs are discussed.

Denovo↗

NASA NTRS1996

Quasi-Optimal Schwarz Methods for the Conforming Spectral Element Discretization

Fast methods are proposed for solving the system K(sub N)x = b resulting from the discretization of self-adjoint elliptic equations in three dimensional domains by the spectral element method. The domain is decomposed into hexahedral elements, and in each of these elements the discretization space is formed by polynomials of degree N in each variable. Gauss-Lobatto-Legendre (GLL) quadrature rules replace the integrals in the Galerkin formulation. This system is solved by the preconditioned conjugate gradients method. The conforming finite element space on the GLL mesh consisting of piecewise Q(sub 1) elements produces a stiffness matrix K(sub h) that is spectrally equivalent to the spectral element stiffness matrix K(sub N). The action of the inverse of K(sub h) is expensive for large problems, and is therefore replaced by a Schwarz preconditioner B(sub h) of this finite element stiffness matrix. The preconditioned operator then becomes B(sub h)(exp -l)K(sub N). The technical difficulties stem from the nonregularity of the mesh. Tools to estimate the convergence of a large class of new iterative substructuring and overlapping Schwarz preconditioners are developed. This technique also provides a new analysis for an iterative substructuring method proposed by Pavarino and Widlund for the spectral element discretization.

Casarin, Mario↗