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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 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Effect of Packing Nonuniformity at the Fiber Bundle–Case Interface on Performance of Hollow Fiber Membrane Gas Separation Modules

High-fidelity simulations of momentum and mass transfer within a hollow fiber gas separation membrane module are here reported. The simulations capture the potential detrimental effects of poor fiber packing at the bundle–case interface on fluid distribution and performance. Results are presented for both circular and planar fiber bundles. The length over which bundle–case gaps affects flow is determined. The length increases dramatically with increasing fiber packing fraction. As the packing fraction approaches 0.6, the impact extends over the entire bundle diameter for small modules (<1000 fibers). The results clearly demonstrate the detrimental effect of poor packing along the case and can be used to develop module manufacturing guidelines. To reduce computational costs, an equivalent planar bundle module approximation is developed. The approximate simulations agree well with results from full 3-D simulations and can reduce computational costs without sacrificing fidelity.

42 ENGINEERING↗
NASA NTRS1991

Eigenvalue and eigenvector sensitivity and approximate analysis for repeated eigenvalue problems

A set of computationally efficient equations for eigenvalue and eigenvector sensitivity analysis are derived, and a method for eigenvalue and eigenvector approximate analysis in the presence of repeated eigenvalues is presented. The method developed for approximate analysis involves a reparamaterization of the multivariable structural eigenvalue problem in terms of a single positive-valued parameter. The resulting equations yield first-order approximations of changes in both the eigenvalues and eigenvectors associated with the repeated eigenvalue problem. Examples are given to demonstrate the application of such equations for sensitivity and approximate analysis.

Hou, Gene J. W.↗
DOE OSTI2024

Efficient sensitivity analysis of the thermal profile in powder bed fusion of metals using hypercomplex automatic differentiation finite element method

Rapid cyclic temperature fluctuation occurring in powder bed fusion of metals using a laser beam (PBF-LB/M) influences the formation of flaws in printed parts. Consequently, there is a pressing need to enhance the quality of printed parts by developing innovative methodologies that can predict thermal histories and help uncover the intricate relationships between process parameters and thermal profiles. Sensitivity Analysis (SA) emerges as an essential tool for this, offering the potential for process optimization and enhanced quality control. Nonetheless, conventional SA methodologies often incur in excessive computational costs and potential numerical approximation errors. Here, to address this technical challenge, we present a novel method for SA that integrates the HYPercomplex-based Automatic Differentiation (HYPAD) technique with transient thermal simulations conducted via the finite element method (FEM). Leveraging this methodology, we efficiently and accurately perform SA for PBF-LB/M processes in a post-processing step. Compared to traditional methods like Finite Differences (FD), HYPAD-FEM required 96 % less computational time for obtaining sensitivities for 22 process parameters, under a comparative study conducted within the context of the 2018–02 AM benchmark of the National Institute of Standards and Technology. In summary, HYPAD-FEM offers superior efficiency and accuracy in SA over conventional methods, delivering the best sensitivity of a model without the need for step-size selection and problem or parameter-based implementations.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Simultaneous quaternion estimation (QUEST) and bias determination

Tests of a new method for the simultaneous estimation of spacecraft attitude and sensor biases, based on a quaternion estimation algorithm minimizing Wahba's loss function are presented. The new method is compared with a conventional batch least-squares differential correction algorithm. The estimates are based on data from strapdown gyros and star trackers, simulated with varying levels of Gaussian noise for both inertially-fixed and Earth-pointing reference attitudes. Both algorithms solve for the spacecraft attitude and the gyro drift rate biases. They converge to the same estimates at the same rate for inertially-fixed attitude, but the new algorithm converges more slowly than the differential correction for Earth-pointing attitude. The slower convergence of the new method for non-zero attitude rates is believed to be due to the use of an inadequate approximation for a partial derivative matrix. The new method requires about twice the computational effort of the differential correction. Improving the approximation for the partial derivative matrix in the new method is expected to improve its convergence at the cost of increased computational effort.

Markley, F. Landis↗
DOE OSTI2019

Embedded Model Error Representation for Bayesian Model Calibration

Model error estimation remains one of the key challenges in uncertainty quantification and predictive science. For computational models of complex physical systems, model error, also known as structural error or model inadequacy, is often the largest contributor to the overall predictive uncertainty. This work builds on a recently developed framework of embedded, internal model correction, in order to represent and quantify structural errors, together with model parameters,within a Bayesian inference context. We focus specifically on a Polynomial Chaos representation with additive modification of existing model parameters, enabling a non-intrusive procedure for efficient approximate likelihood construction, model error estimation, and disambiguation of model and data errors’ contributions to predictive uncertainty. The framework is demonstrated on several synthetic examples, as well as on a chemical ignition problem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1992

Computational structures technology and UVA Center for CST

Rapid advances in computer hardware have had a profound effect on various engineering and mechanics disciplines, including the materials, structures, and dynamics disciplines. A new technology, computational structures technology (CST), has recently emerged as an insightful blend between material modeling, structural and dynamic analysis and synthesis on the one hand, and other disciplines such as computer science, numerical analysis, and approximation theory, on the other hand. CST is an outgrowth of finite element methods developed over the last three decades. The focus of this presentation is on some aspects of CST which can impact future airframes and propulsion systems, as well as on the newly established University of Virginia (UVA) Center for CST. The background and goals for CST are described along with the motivations for developing CST, and a brief discussion is made on computational material modeling. We look at the future in terms of technical needs, computing environment, and research directions. The newly established UVA Center for CST is described. One of the research projects of the Center is described, and a brief summary of the presentation is given.

Noor, Ahmed K.↗
NASA NTRS2001

Feasibility of Actively Cooled Silicon Nitride Airfoil for Turbine Applications Demonstrated

Nickel-base superalloys currently limit gas turbine engine performance. Active cooling has extended the temperature range of service of nickel-base superalloys in current gas turbine engines, but the margin for further improvement appears modest. Therefore, significant advancements in materials technology are needed to raise turbine inlet temperatures above 2400 F to increase engine specific thrust and operating efficiency. Because of their low density and high-temperature strength and thermal conductivity, in situ toughened silicon nitride ceramics have received a great deal of attention for cooled structures. However, the high processing costs and low impact resistance of silicon nitride ceramics have proven to be major obstacles for widespread applications. Advanced rapid prototyping technology in combination with conventional gel casting and sintering can reduce high processing costs and may offer an affordable manufacturing approach. Researchers at the NASA Glenn Research Center, in cooperation with a local university and an aerospace company, are developing actively cooled and functionally graded ceramic structures. The objective of this program is to develop cost-effective manufacturing technology and experimental and analytical capabilities for environmentally stable, aerodynamically efficient, foreign-object-damage-resistant, in situ toughened silicon nitride turbine nozzle vanes, and to test these vanes under simulated engine conditions. Starting with computer aided design (CAD) files of an airfoil and a flat plate with internal cooling passages, the permanent and removable mold components for gel casting ceramic slips were made by stereolithography and Sanders machines, respectively. The gel-cast part was dried and sintered to final shape. Several in situ toughened silicon nitride generic airfoils with internal cooling passages have been fabricated. The uncoated and thermal barrier coated airfoils and flat plates were burner rig tested for 30 min without and with air cooling. Without cooling, the surface temperature of the flat plate reached approximately 2350 F. Starting with computer aided design (CAD) files of an airfoil and a flat plate with internal cooling passages, the permanent and removable mold components for gel casting ceramic slips were made by stereolithography and Sanders machines, respectively. The gel-cast part was dried and sintered to final shape. Several in situ toughened silicon nitride generic airfoils with internal cooling passages have been fabricated. The uncoated and thermal barrier coated airfoils and flat plates were burner rig tested for 30 min without and with air cooling. Without cooling, the surface temperature of the flat plate reached approximately 2350 F. With cooling, the surface temperature decreased to approximately 1910 F--a drop of approximately 440 F. This preliminary study demonstrates that a near-net-shape silicon nitride airfoil can be fabricated and that silicon nitride can sustain severe thermal shock and the thermal gradients induced by cooling and, thus, is a viable candidate for cooled components.

Bhatt, Ramakrishna T.↗
NASA NTRS1987

RKH space approximations for the feedback operator in a linear hereditary control system

Computational implementation of feedback control laws for linear hereditary systems requires the approximation of infinite dimensional feedback operators with finite dimensional operators. The dense subspaces of K-polygonal functions in reproducing kernel Hilbert spaces, RKH spaces, suggest finite dimensional approximations of the matrix representations of the control operators. A convergence theorem is developed for the approximations and the numerical implementation of the approximations is discussed.

Reneke, J. A.↗
NASA NTRS1936

Investigations on the amount of downwash behind rectangular and elliptical wings

The downwash behind a wing may be computed from the system of vortices created by the wing and which can be substituted for the latter. If the actual rolling-up process of the free vortex sheet is disregarded, the establishment of boundaries for the downwash factors is contingent upon the premise that no rolling up takes place or else that the developed tip vortices start direct on the effective line. The actual downwash factors for the rectangular wing are rather of the approximate magnitude of the values computable with the developed tip vortices starting direct on the wing.

Muttray, H↗
NASA NTRS2011

A Boundary Condition Relaxation Algorithm for Strongly Coupled, Ablating Flows Including Shape Change

Implementations of a model for equilibrium, steady-state ablation boundary conditions are tested for the purpose of providing strong coupling with a hypersonic flow solver. The objective is to remove correction factors or film cooling approximations that are usually applied in coupled implementations of the flow solver and the ablation response. Three test cases are considered - the IRV-2, the Galileo probe, and a notional slender, blunted cone launched at 10 km/s from the Earth's surface. A successive substitution is employed and the order of succession is varied as a function of surface temperature to obtain converged solutions. The implementation is tested on a specified trajectory for the IRV-2 to compute shape change under the approximation of steady-state ablation. Issues associated with stability of the shape change algorithm caused by explicit time step limits are also discussed.

Gnoffo, Peter A.↗
DOE OSTI2023

Dimension Reduction and Redundancy Removal through Successive Schmidt Decompositions

Quantum computers are believed to have the ability to process huge data sizes, which can be seen in machine learning applications. In these applications, the data, in general, are classical. Therefore, to process them on a quantum computer, there is a need for efficient methods that can be used to map classical data on quantum states in a concise manner. On the other hand, to verify the results of quantum computers and study quantum algorithms, we need to be able to approximate quantum operations into forms that are easier to simulate on classical computers with some errors. Motivated by these needs, in this paper, we study the approximation of matrices and vectors by using their tensor products obtained through successive Schmidt decompositions. We show that data with distributions such as uniform, Poisson, exponential, or similar to these distributions can be approximated by using only a few terms, which can be easily mapped onto quantum circuits. The examples include random data with different distributions, the Gram matrices of iris flower, handwritten digits, 20newsgroup, and labeled faces in the wild. Similarly, some quantum operations, such as quantum Fourier transform and variational quantum circuits with a small depth, may also be approximated with a few terms that are easier to simulate on classical computers. Furthermore, we show how the method can be used to simplify quantum Hamiltonians: In particular, we show the application to randomly generated transverse field Ising model Hamiltonians. The reduced Hamiltonians can be mapped into quantum circuits easily and, therefore, can be simulated more efficiently.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

A randomized sketching trust-region secant method for low-memory dynamic optimization

The numerical solution of dynamic optimization problems is often limited by the memory required to store the state trajectory, which is used to evaluate the objective function and its derivatives. Recently, [R. Muthukumar et al., SIAM Journal on Optimization 31(2), pp. 1242–1275 (2021)] introduced a trust-region method for dynamic optimization that employs randomized sketching to compress the state trajectory, resulting in inexact derivative computations. By adaptively learning the sketch rank, the trust-region algorithm achieves rigorous convergence guarantees. Here, we extend this approach to use secant Hessian approximations. Due to the randomness introduced by the sketch, the traditional secant update formulae can produce poor Hessian approximations. In particular, the difference of two gradients, computed from two different sketches, may be inconsistent. To overcome this, we employ a sketched approximation of the Hessian application, in lieu of computing the gradient difference. We numerically demonstrate the improved stability of this approach on an example from PDE-constrained optimization.

dynamic optimization↗
DOE OSTI2022

Efficient data acquisition and training of collisional-radiative model artificial neural network surrogates through adaptive parameter space sampling

Abstract Effective plasma transport modeling of magnetically confined fusion devices relies on having an accurate understanding of the ion composition and radiative power losses of the plasma. Generally, these quantities can be obtained from solutions of a collisional-radiative (CR) model at each time step within a plasma transport simulation. However, even compact, approximate CR models can be computationally onerous to evaluate, and in-situ evaluation of these models within a larger plasma transport code can lead to a rigid bottleneck. As a way to bypass this bottleneck, we propose deploying artificial neural network (ANN) surrogates to allow rapid evaluation of the necessary plasma quantities. However, one issue with training an accurate ANN surrogate is the reliance on a sufficiently large and representative training and validation data set, which can be time-consuming to generate. In this work we explore a data-driven active learning and training routine to allow autonomous adaptive sampling of the problem parameter space to ensure a sufficiently large and meaningful set of training data is assembled for the network training. As a result, we can demonstrate approximately order-of-magnitude savings in required training data samples to produce an accurate surrogate.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1979

On the distribution of computation for sequential decoding using the stack algorithm

A method is developed for estimating the computational distribution for the stack algorithm for sequential decoding, that is, the probability that the computation required to decode the first branch of the tree is greater than or equal to N, for small N. The analysis relies heavily on the theory of multitype branching processes. A step in the analysis is the determination of the distribution of the minimum of the cumulative metrics along the transmitted path in the code tree. This is used to obtain the distribution of the number of computations made by the decoder in order to decode the first branch in the tree, and this random variable serves as an approximation of the average number of computations per decoded branch. At information rates below the cutoff rate, the calculated computational performance is virtually identical to that obtained by time-consuming simulations.

Johannesson, R.↗
NASA NTRS1987

IOS and ECS line coupling calculation for the CO-He system - Influence on the vibration-rotation band shapes

Line coupling coefficients resulting from rotational excitation of CO perturbed by He are computed within the infinite order sudden approximation (IOSA) and within the energy corrected sudden approximation (ECSA). The influence of this line coupling on the 1-0 CO-He vibration-rotation band shape is then computed for the case of weakly overlapping lines in the 292-78 K temperature range. The IOS and ECS results differ only at 78 K by a weak amount at high frequencies. Comparison with an additive superposition of Lorentzian lines shows strong modifications in the troughs between the lines. These calculated modifications are in excellent quantitative agreement with recent experimental data for all the temperatures considered. The applicability of previous approaches to CO-He system, based on either the strong collision model or exponential energy gap law, is also discussed.

Boissoles, J.↗
NASA NTRS2011

On Time Delay Margin Estimation for Adaptive Control and Optimal Control Modification

This paper presents methods for estimating time delay margin for adaptive control of input delay systems with almost linear structured uncertainty. The bounded linear stability analysis method seeks to represent an adaptive law by a locally bounded linear approximation within a small time window. The time delay margin of this input delay system represents a local stability measure and is computed analytically by three methods: Pade approximation, Lyapunov-Krasovskii method, and the matrix measure method. These methods are applied to the standard model-reference adaptive control, s-modification adaptive law, and optimal control modification adaptive law. The windowing analysis results in non-unique estimates of the time delay margin since it is dependent on the length of a time window and parameters which vary from one time window to the next. The optimal control modification adaptive law overcomes this limitation in that, as the adaptive gain tends to infinity and if the matched uncertainty is linear, then the closed-loop input delay system tends to a LTI system. A lower bound of the time delay margin of this system can then be estimated uniquely without the need for the windowing analysis. Simulation results demonstrates the feasibility of the bounded linear stability method for time delay margin estimation.

Nguyen, Nhan T.↗
NASA NTRS1983

The treatment of convected vortices in compressible potential flow

A method is described for incorporating line vortices into the three dimensional compressible potential flow equation. A modified Biot-Savart law is used to compute a vortical velocity field, which is added to the gradient of the potential to form a total velocity. A rapidly converging approximate factorization (AFZ) scheme is then used to compute a potential such that the modified potential flow equation as well as the appropriate boundary conditions, based on total velocity, are satisfied. As part of a coupled iteration procedure, the positions of the line vortices are computed so that they convect with the total flow. The method is used to compute the field due to a single line vortex convecting past a wing. This represents an approximation of the effect of a canard or other lifting surface ahead of the wing, which sheds a tip vortex. It is seen that the flow field is substantially modified by the passage of the vortex. Unlike Euler equation schemes, which are also used to compute these flows, the solutions exhibit no numerical diffusion: The convected vortices retain their initial upstream width. Euler solutions, on the other hand, involve a vorticity which is numerically convected in an Eulerian frame and, unless extensive adaptive grid refinement is used they result in vortices with spread as they convect. Also, the potential flow method requires approximately two orders of magnitude less computing time and much less computer storage than the Euler methods.

Steinhoff, J.↗
DOE OSTI2024

A new “gold standard”: Perturbative triples corrections in unitary coupled cluster theory and prospects for quantum computing

A major difficulty in quantum simulation is the adequate treatment of a large collection of entangled particles, synonymous with electron correlation in electronic structure theory, with coupled cluster (CC) theory being the leading framework for dealing with this problem. Augmenting computationally affordable low-rank approximations in CC theory with a perturbative account of higher-rank excitations is a tractable and effective way of accounting for the missing electron correlation in those approximations. This is perhaps best exemplified by the “gold standard” CCSD(T) method, which bolsters the baseline CCSD with the effects of triple excitations using considerations from many-body perturbation theory (MBPT). Despite this established success, such a synergy between MBPT and the unitary analog of CC theory (UCC) has not been explored. In this work, we propose a similar approach wherein converged UCCSD amplitudes are leveraged to evaluate energy corrections associated with triple excitations, leading to the UCCSD[T] method. In terms of quantum computing, this correction represents an entirely classical post-processing step that improves the energy estimate by accounting for triple excitation effects without necessitating new quantum algorithm developments or increasing demand for quantum resources. The rationale behind this choice is shown to be rigorous by studying the properties of finite-order UCC energy functionals, and our efforts do not support the addition of the fifth-order contributions as in the (T) correction. We assess the performance of these approaches on a collection of small molecules and demonstrate the benefits of harnessing the inherent synergy between MBPT and UCC theories.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗