Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “factorization methods”

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.

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

At least 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

How to correct relative voxel scale factors for calculations of vector-difference Fourier maps in cryo-EM

The atomic coordinates derived from cryo-electron microscopy (cryo-EM) maps can be inaccurate when the voxel scaling factors are not properly calibrated. Here, we describe a method for correcting relative voxel scaling factors between pairs of cryo-EM maps for the same or similar structures that are expanded or contracted relative to each other. We find that the correction of scaling factors reduces the amplitude differences of Fourier-inverted structure factors from voxel-rescaled maps by up to 20–30%, as shown by two cryo-EM maps of the SARS-CoV-2 spike protein measured at pH 4.0 and pH 8.0. This allows for the calculation of the difference map after properly scaling, revealing differences between the two structures for individual amino acid residues. Unexpectedly, the analysis uncovers two previously overlooked differences of amino acid residues in structures and their local structural changes. Furthermore, we demonstrate the method as applied to two cryo-EM maps of monomeric apo-photosystem II from the cyanobacteria Synechocystis sp. PCC 6803 and Thermosynechococcus elongatus. The resulting difference maps reveal many changes in the peripheral transmembrane PsbX subunit between the two species.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Energetics of the nucleation and glide of disconnection modes in symmetric tilt grain boundaries

Grain boundaries (GBs) evolve by the nucleation and glide of disconnections, which are dislocations with a step character. In this work, motivated by recent success in predicting GB properties such as the shear coupling factor and mobility from the intrinsic properties of disconnections, we develop a systematic method to calculate the energy barriers for the nucleation and glide of individual disconnection modes under arbitrary driving forces and a quasi-2D setting. This method combines tools from bicrystallography to enumerate disconnection modes and the Nudged elastic band (NEB) method to calculate their energetics, yielding minimum energy paths and atomistic mechanisms for the nucleation and glide of each disconnection mode. We apply the method to accurately predict shear coupling factors of $[001]$ symmetric tilt grain boundaries in Cu. Particular attention is paid to the boundaries where the dislocation-based disconnection nucleation model produces incorrect nucleation barriers. We demonstrate that the method can accurately compute energy barriers and predict shear-coupling factors in the low-temperature regime. For certain disconnection modes in which the assumptions underlying our method do not hold, we report upper bounds on the energy barriers for disconnection nucleation and glide. In addition, the NEB trajectories reveal interesting phenomena such as the dissociation of a higher energy mode into lower energy modes, and in some cases, shear coupling being mediated by partial disconnections, wherein the GB structure temporarily changes to a metastable state before reverting back to its original structure. Graphical abstract

36 MATERIALS SCIENCE↗
DOE OSTI2026

Active operator learning with predictive uncertainty quantification for partial differential equations

With the increased prevalence of neural operators being used to provide rapid solutions to partial differential equations (PDEs), understanding the accuracy of model predictions and the associated error levels is necessary for deploying reliable surrogate models in scientific applications. Existing uncertainty quantification (UQ) frameworks employ ensembles or Bayesian methods, which can incur substantial computational costs during both training and inference. Here, we propose a lightweight predictive UQ method tailored for Deep operator networks (DeepONets) that also generalizes to other operator networks. Numerical experiments on linear and nonlinear PDEs demonstrate that the framework’s uncertainty estimates are unbiased and provide accurate out-of-distribution uncertainty predictions with a sufficiently large training dataset. Our framework provides fast inference and uncertainty estimates that can efficiently drive outer-loop analyses that would be prohibitively expensive with conventional solvers. We demonstrate how predictive uncertainties can be used in the context of Bayesian optimization and active learning problems to yield improvements in accuracy and data-efficiency for outer-loop optimization procedures. In the active learning setup, we extend the framework to Fourier Neural Operators (FNO) and describe a generalized method for other operator networks. To enable real-time deployment, we introduce an inference strategy based on precomputed trunk outputs and a sparse placement matrix, reducing evaluation time by more than a factor of five. Our method provides a practical route to uncertainty-aware operator learning in time-sensitive settings.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1984

Relaxation methods for unfactored implicit upwind schemes

Relaxation methods are presented for unfactored implicit upwind schemes for hyperbolic equations. The theoretical bases are explained using linear and nonlinear scalar equations; construction of the method for the unsteady Euler equations (nonlinear system) is but a natural extension. One of the important advantages of the above methods vis a vis factored implicit schemes is the possibility of faster convergence to steady state, as illustrated by the results. Several classes of relaxation schemes such as pointwise, linewise, Gauss-Seidel, and non-Gauss-Seidel methods are discussed, along with various strategies for convergence.

Chakravarthy, S. R.↗
NASA NTRS2001

Interrelation Between Safety Factors and Reliability

An evaluation was performed to establish relationships between safety factors and reliability relationships. Results obtained show that the use of the safety factor is not contradictory to the employment of the probabilistic methods. In many cases the safety factors can be directly expressed by the required reliability levels. However, there is a major difference that must be emphasized: whereas the safety factors are allocated in an ad hoc manner, the probabilistic approach offers a unified mathematical framework. The establishment of the interrelation between the concepts opens an avenue to specify safety factors based on reliability. In cases where there are several forms of failure, then the allocation of safety factors should he based on having the same reliability associated with each failure mode. This immediately suggests that by the probabilistic methods the existing over-design or under-design can be eliminated. The report includes three parts: Part 1-Random Actual Stress and Deterministic Yield Stress; Part 2-Deterministic Actual Stress and Random Yield Stress; Part 3-Both Actual Stress and Yield Stress Are Random.

Elishakoff, Isaac↗
NASA NTRS1998

Preconditioning the Helmholtz Equation for Rigid Ducts

An innovative hyperbolic preconditioning technique is developed for the numerical solution of the Helmholtz equation which governs acoustic propagation in ducts. Two pseudo-time parameters are used to produce an explicit iterative finite difference scheme. This scheme eliminates the large matrix storage requirements normally associated with numerical solutions to the Helmholtz equation. The solution procedure is very fast when compared to other transient and steady methods. Optimization and an error analysis of the preconditioning factors are present. For validation, the method is applied to sound propagation in a 2D semi-infinite hard wall duct.

Baumeister, Kenneth J.↗
NASA NTRS1986

The ecology of microorganisms in a small closed system: Potential benefits and problems for space station

The inevitble presence on the space station of microorganisms associated with crew members and their environment will have the potential for both benefits and a range of problems including illness and corrosion of materials. This report reviews the literature presenting information about microorganisms pertinent to Environmental Control and Life Support (ECLS) on the space station. The perspective of the report is ecological, viewing the space station as an ecosystem in which biological relationships are affected by factors such as zero gravity and by closure of a small volume of space. Potential sites and activities of microorganisms on the space station and their environmental limits, microbial standards for the space station, monitoring and control methods, effects of space factors on microorganisms, and extraterrestrial contamination are discussed.

Rodgers, E. B.↗
NASA NTRS1992

Analysis and prediction of Multiple-Site Damage (MSD) fatigue crack growth

A technique was developed to calculate the stress intensity factor for multiple interacting cracks. The analysis was verified through comparison with accepted methods of calculating stress intensity factors. The technique was incorporated into a fatigue crack growth prediction model and used to predict the fatigue crack growth life for multiple-site damage (MSD). The analysis was verified through comparison with experiments conducted on uniaxially loaded flat panels with multiple cracks. Configuration with nearly equal and unequal crack distribution were examined. The fatigue crack growth predictions agreed within 20 percent of the experimental lives for all crack configurations considered.

Dawicke, D. S.↗
NASA NTRS1977

Vector sweep

Program is numerical procedure for calculating radiation/geometrical configuration factors and/or space-environmental heat-flux histories. System can accomodate complex systems of diverse geometric shapes residing in unlimited variety of mutual shadow conditions. Basic analytical device is finite-difference employment of unit-sphere method of calculating configuration factors.

Moutrie, C. L.↗
NASA NTRS1980

Aircraft wing weight build-up methodology with modification for materials and construction techniques

An aircraft wing weight estimating method based on a component buildup technique is described. A simplified analytically derived beam model, modified by a regression analysis, is used to estimate the wing box weight, utilizing a data base of 50 actual airplane wing weights. Factors representing materials and methods of construction were derived and incorporated into the basic wing box equations. Weight penalties to the wing box for fuel, engines, landing gear, stores and fold or pivot are also included. Methods for estimating the weight of additional items (secondary structure, control surfaces) have the option of using details available at the design stage (i.e., wing box area, flap area) or default values based on actual aircraft from the data base.

York, P.↗
NASA NTRS1998

Robust Multigrid Smoothers for Three Dimensional Elliptic Equations with Strong Anisotropies

We discuss the behavior of several plane relaxation methods as multigrid smoothers for the solution of a discrete anisotropic elliptic model problem on cell-centered grids. The methods compared are plane Jacobi with damping, plane Jacobi with partial damping, plane Gauss-Seidel, plane zebra Gauss-Seidel, and line Gauss-Seidel. Based on numerical experiments and local mode analysis, we compare the smoothing factor of the different methods in the presence of strong anisotropies. A four-color Gauss-Seidel method is found to have the best numerical and architectural properties of the methods considered in the present work. Although alternating direction plane relaxation schemes are simpler and more robust than other approaches, they are not currently used in industrial and production codes because they require the solution of a two-dimensional problem for each plane in each direction. We verify the theoretical predictions of Thole and Trottenberg that an exact solution of each plane is not necessary and that a single two-dimensional multigrid cycle gives the same result as an exact solution, in much less execution time. Parallelization of the two-dimensional multigrid cycles, the kernel of the three-dimensional implicit solver, is also discussed. Alternating-plane smoothers are found to be highly efficient multigrid smoothers for anisotropic elliptic problems.

Llorente, Ignacio M.↗
NASA NTRS2001

Improved Quick Disconnect (QD) Interface Through Fail Safe Parts Identification

An extensive review of existing Quick Disconnects (QDs) mating and demating operations was performed to determine which shuttle part interface identifications and procedures contribute to human factor errors. The research methods used consisted of interviews with engineers and technicians, examination of incident reports, critiques of video and audio tapes of QD operations, and attendance of a Hyper QD operational course. The data strongly suggests that there are inherit human factor errors involved in QD operations. To promote fail-safe operations, QD interface problem areas and recommendations were outlined and reviewed. It is suggested that dialogue, investigations and recommendations continue.

Blanch-Payne, Evelyn↗
NASA NTRS1981

General relaxation schemes in multigrid algorithms for higher order singularity methods

Relaxation schemes based on approximate and incomplete factorization technique (AF) are described. The AF schemes allow construction of a fast multigrid method for solving integral equations of the second and first kind. The smoothing factors for integral equations of the first kind, and comparison with similar results from the second kind of equations are a novel item. Application of the MD algorithm shows convergence to the level of truncation error of a second order accurate panel method.

Oskam, B.↗
NASA NTRS1988

A finite-element alternating method for two-dimensional Mode-1 crack configurations

A finite-element alternating method is presented for 2-D Mode-1 crack problems. An analytical solution for an arbitrary polynomial normal pressure distribution applied to the crack faces is obtained and used as the basic solution in the method. The method is applied to several crack problems to study its efficiency and the results are compared to accurate stress-intensity factor solutions in the literature. The method gave reasonably accurate stress-intensity factors and crack opening displacements with minimal computing effort. Because the method must model only the uncracked body, finite-element models with many degrees of freedom are not warranted and therefore, the method has been implemented on personal computers.

Raju, I. S.↗
NASA NTRS1989

A finite-element alternating method for two dimensional mode I crack configurations

A finite-element alternating method is presented for two-dimensional Mode-1 crack problems. An analytical solution for an arbitrary polynomial normal pressure distribution applied to the crack faces is obtained and used as the basic solution in the method. The method is applied to several crack problems to study its efficiency and the results are compared to accurate stress-intensity factor solutions in the literature. The method gave reasonably accurate stress-intensity factors and crack opening displacements with minimal computing effort. Because the method must model only the uncracked body, finite-element models with many degrees of freedom are not warranted and therefore, the method has been implemented on personal computers.

Raju, I. S.↗
NASA NTRSDate not supplied

Estimation of End-of-Life Solar Absorptivity for Complex, Multi-Phased Space Missions

Solar absorptivity degradation over time is an important contributor to the thermal performance of a spacecraft at the end of its life. When environments are complex and include many different factors known to impact solar absorptivity degradation, such as UV, charged particles, contamination, or lunar dust coverage, combining data from several different studies can be done to estimate total degradation. While the most conservative way is to stack delta absorptivity from each factor to come up with a total delta, this may be overly conservative for long or complex missions with multiple mission phases. As absorptivity increases the rate of degradation decreases, and synergistic effects need to be taken into account. In this report an alternate method is proposed using Gateway materials as an example. This method determines which environmental factor will be dominant at what time (such as contamination or charged particles) and uses that degradation rate for that mission phase. For the next mission phase, the new absorptivity can be used instead of the original BOL absorptivity to determine degradation rate. This approach prevents overestimating optical degradation when considering degradation from interconnected sources.

Brandon Michael Hoffmann↗
NASA NTRS2024

Estimation of End-of-Life Solar Absorptivity for Complex, Multi-Phased Space Missions

Solar absorptivity degradation over time is an important contributor to the thermal performance of a spacecraft at the end of its life. When environments are complex and include many different factors known to impact solar absorptivity degradation, such as UV, charged particles, contamination, or lunar dust coverage, combining data from several different studies can be done to estimate total degradation. While the most conservative way is to stack delta absorptivity from each factor to come up with a total delta, this may be overly conservative for long or complex missions with multiple mission phases. As absorptivity increases the rate of degradation decreases, and synergistic effects need to be taken into account. In this report an alternate method is proposed using Gateway materials as an example. This method determines which environmental factor will be dominant at what time (such as contamination or charged particles) and uses that degradation rate for that mission phase. For the next mission phase, the new absorptivity can be used instead of the original BOL absorptivity to determine degradation rate. This approach prevents overestimating optical degradation when considering degradation from interconnected sources.

thermo-optical properties↗