Search NASA⌕ Search

SEARCH · Search NASA

Results for “Computer Based Procedures”

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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

Modeling the Swift Bat Trigger Algorithm with Machine Learning

To draw inferences about gamma-ray burst (GRB) source populations based on Swift observations, it is essential to understand the detection efficiency of the Swift burst alert telescope (BAT). This study considers the problem of modeling the Swift / BAT triggering algorithm for long GRBs, a computationally expensive procedure, and models it using machine learning algorithms. A large sample of simulated GRBs from Lien et al. is used to train various models: random forests, boosted decision trees (with AdaBoost), support vector machines, and artificial neural networks. The best models have accuracies of greater than or equal to 97 percent (less than or equal to 3 percent error), which is a significant improvement on a cut in GRB flux, which has an accuracy of 89.6 percent (10.4 percent error). These models are then used to measure the detection efficiency of Swift as a function of redshift z, which is used to perform Bayesian parameter estimation on the GRB rate distribution. We find a local GRB rate density of n (sub 0) approaching 0.48 (sup plus 0.41) (sub minus 0.23) per cubic gigaparsecs per year with power-law indices of n (sub 1) approaching 1.7 (sup plus 0.6) (sub minus 0.5) and n (sub 2) approaching minus 5.9 (sup plus 5.7) (sub minus 0.1) for GRBs above and below a break point of z (redshift) (sub 1) approaching 6.8 (sup plus 2.8) (sub minus 3.2). This methodology is able to improve upon earlier studies by more accurately modeling Swift detection and using this for fully Bayesian model fitting.

gamma-ray burst: general – gamma-rays: general â↗
DOE OSTI2025

Recent Improvements to the NWChem COSMO Module

This work presents recent developments in the COSMO solvation model implementation in NWChem. A new cavity construction approach, based on the solvent-excluding surface (SES) and utilizing the well-established GEPOL algorithm, has been introduced. Additionally, a straightforward procedure to merge surface segments that are too close─often a source of numerical artifacts─has been implemented. The available methods for correcting outlying surface charges have also been reviewed and improved. To validate the new implementation, we computed dielectric solvation energies for a chemically diverse set of approximately 100 molecules, including neutral species, small ions, and common ionic liquid components. Results were compared to those from GAMESS using the double-cavity method as a reference. Although the double-cavity approach can be regarded as more accurate, the simpler correction schemes available in NWChem─based on scaling factors or Lagrange multipliers─can achieve excellent agreement if the potential is also properly corrected, with mean unsigned deviations of around 0.15 kcal/mol. Predictions of typical vapor–liquid and liquid–liquid equilibria using a COSMO-SAC variant based on NWChem also showed very promising results.

Cavities↗
NASA NTRS1998

Design-Oriented Analysis of Aircraft Fuselage Structures

A design-oriented analysis capability for aircraft fuselage structures that utilizes equivalent plate methodology is described. This new capability is implemented as an addition to the existing wing analysis procedure in the Equivalent Laminated Plate Solution (ELAPS) computer code. The wing and fuselage analyses are combined to model entire airframes. The paper focuses on the fuselage model definition, the associated analytical formulation and the approach used to couple the wing and fuselage analyses. The modeling approach used to minimize the amount of preparation of input data by the user and to facilitate the making of design changes is described. The fuselage analysis is based on ring and shell equations but the procedure is formulated to be analogous to that used for plates in order to take advantage of the existing code in ELAPS. Connector springs are used to couple the wing and fuselage models. Typical fuselage analysis results are presented for two analytical models. Results for a ring-stiffened cylinder model are compared with results from conventional finite-element analyses to assess the accuracy of this new analysis capability. The connection of plate and ring segments is demonstrated using a second model that is representative of the wing structure for a channel-wing aircraft configuration.

Giles, Gary L.↗
NASA NTRS1992

Determination of stress intensity factors for interface cracks under mixed-mode loading

A simple technique was developed using conventional finite element analysis to determine stress intensity factors, K1 and K2, for interface cracks under mixed-mode loading. This technique involves the calculation of crack tip stresses using non-singular finite elements. These stresses are then combined and used in a linear regression procedure to calculate K1 and K2. The technique was demonstrated by calculating three different bimaterial combinations. For the normal loading case, the K's were within 2.6 percent of an exact solution. The normalized K's under shear loading were shown to be related to the normalized K's under normal loading. Based on these relations, a simple equation was derived for calculating K1 and K2 for mixed-mode loading from knowledge of the K's under normal loading. The equation was verified by computing the K's for a mixed-mode case with equal and normal shear loading. The correlation between exact and finite element solutions is within 3.7 percent. This study provides a simple procedure to compute K2/K1 ratio which has been used to characterize the stress state at the crack tip for various combinations of materials and loadings. Tests conducted over a range of K2/K1 ratios could be used to fully characterize interface fracture toughness.

Naik, Rajiv A.↗
NASA NTRS1984

Application of a full potential method for computation of three-dimensional supersonic flows

A nonlinear aerodynamic analysis technique based on the full potential equation in conservative form has been modified to permit treatment of supersonic flows with embedded subsonic regions (typically near the fuselage-canopy juncture and the wing leading edge). Solution procedures for the equations do not require any specific form of geometry or physical grid system. This results in the capability to analyze easily very complex geometries provided the posed problem lies within the isentropic restrictions of the full potential theory. Characteristic signal propagation theory is used to monitor the type dependent flow and a conservative switching scheme is employed to transition from the supersonic marching algorithm to a subsonic relaxation procedure and vice versa. An implicit approximate factorization scheme is used to solve the finite-difference equations. These modifications now permit analysis of fully three-dimensional flowfields including the interference effects due to lifting surface wakes. Improved grid generation capability allows analysis of complete complex aircraft geometries (fuselage, wing, tail, wing wake, and tail wake). Results are presented showing very good correlations with experimental surface pressure data and aerodynamic force data at both design and off-design operating points. Configurations examined include several waverider concepts, an arrow wing-body with wake, an advanced tactical fighter concept, and a fighter forebody-canard configuration.

Jones, K. M.↗
NASA NTRS2007

A Statistical Approach for the Concurrent Coupling of Molecular Dynamics and Finite Element Methods

Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, increasing the size of the MD domain quickly presents intractable computational demands. A robust approach to surmount this computational limitation has been to unite continuum modeling procedures such as the finite element method (FEM) with MD analyses thereby reducing the region of atomic scale refinement. The challenging problem is to seamlessly connect the two inherently different simulation techniques at their interface. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the typical boundary value problem used to define a coupled domain. The method uses statistical averaging of the atomistic MD domain to provide displacement interface boundary conditions to the surrounding continuum FEM region, which, in return, generates interface reaction forces applied as piecewise constant traction boundary conditions to the MD domain. The two systems are computationally disconnected and communicate only through a continuous update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM) as opposed to a direct coupling method where interface atoms and FEM nodes are individually related. The methodology is inherently applicable to three-dimensional domains, avoids discretization of the continuum model down to atomic scales, and permits arbitrary temperatures to be applied.

Saether, E.↗
NASA NTRS1996

Task 7: ADPAC User's Manual

The overall objective of this study was to develop a 3-D numerical analysis for compressor casing treatment flowfields. The current version of the computer code resulting from this study is referred to as ADPAC (Advanced Ducted Propfan Analysis Codes-Version 7). This report is intended to serve as a computer program user's manual for the ADPAC code developed under Tasks 6 and 7 of the NASA Contract. The ADPAC program is based on a flexible multiple- block grid discretization scheme permitting coupled 2-D/3-D mesh block solutions with application to a wide variety of geometries. Aerodynamic calculations are based on a four-stage Runge-Kutta time-marching finite volume solution technique with added numerical dissipation. Steady flow predictions are accelerated by a multigrid procedure. An iterative implicit algorithm is available for rapid time-dependent flow calculations, and an advanced two equation turbulence model is incorporated to predict complex turbulent flows. The consolidated code generated during this study is capable of executing in either a serial or parallel computing mode from a single source code. Numerous examples are given in the form of test cases to demonstrate the utility of this approach for predicting the aerodynamics of modem turbomachinery configurations.

Hall, E. J.↗
DOE OSTI2022

A machine learning approach for clinker quality prediction and nonlinear model predictive control design for a rotary cement kiln

Abstract Cement manufacturing is energy‐intensive (5Gj/t) and comprises a significant portion of the energy footprint of concrete systems. Incorporating modern monitoring, simulation and control systems will allow lower energy use, lower environmental impact, and lower costs of this widely used construction material. One of the goals of the CESMII roadmap project on the Smart Manufacturing of Cement included developing an analytical process model for clinker quality that includes the chemistry of the kiln feed and accounts for critical process variables. This predictive model will be used in nonlinear model predictive control system designed to significantly reduce process energy use while maintaining or improving product quality. In the cement manufacturing plant used in this study, the kiln feed (meal) is tested every 12 h and used to estimate the mineral composition of the cement kiln output (clinker) using the stoichiometry‐based Bogue's model and the expertise of the plant operators. During kiln operation, kiln output (clinker) is sampled and tested every 2 h to measure its chemical and mineral composition. The predicted and measured values of the clinker composition are used by the plant operators to adjust the kiln input stream and the production process characteristics to maintain stable operation and uniform product quality. However, the time delay between prediction and testing, along with inaccuracies inherent in the Bogue's model have made any process changes designed to minimize energy use problematic, especially in‐light of potential clinker quality issues that process changes often pose. A new analytical model that integrates quality information and process operation information has been developed from data collected from 2 years of production from an operating cement facility. To make the model fuel‐type‐independent, consumed heat energy was computed in the model instead of fuel type and amount. A Feedforward Network was trained and tailored from collected data. Many data‐based simulations were conducted to quantitatively evaluate the proposed model and the 5‐fold cross‐validation procedure was used to test the models. The resulting predictive model was shown to have a low root mean square error (MSE) with respect to the estimated clinker mineral composition compared to that using the industry standard “Bogue’ model”. The end goal of this work was to develop a single machine learning tool that allows the use of quality control data and process control variables to improve energy efficiency of the process in a continuous fashion. The proposed nonlinear model predictive control system (NMPC) can generate predicted kiln production characteristics based on manipulated variables in manner that accurately follows the target product quality values. Simulation results also show that the proposed model produced accurate predictions of kiln outputs that fell within the required constraints, while manipulating control variables within typical operational ranges.

Ali, Asem M.↗
DOE OSTI2026

RC-SFA Data Management Templates and Guidance for Standardized, Reusable AI-Ready Data Packages

This data package provides templates and supporting documentation developed by the River Corridor Science Focus Area (RC-SFA; https://www.pnnl.gov/projects/river-corridor) to communicate its approach to managing and publishing AI-ready data. The package is intended to help data users and data producers understand the structures, metadata practices, and quality-control approaches that support consistent, reusable, and machine-actionable data products across RC-SFA studies. Rather than focusing on a single experimental dataset, this package documents the data management framework used to make RC-SFA data easier to find, ingest, navigate, and interpret. The materials in this package reflect RC-SFA practices for standardized data package organization, including the use of a human- and machine-readable README, file-level metadata, data dictionaries, descriptive file naming, method identifiers, and automated and review-based quality assurance procedures. Together, these components illustrate how RC-SFA extends FAIR data principles toward AI-readiness by prioritizing deep metadata, consistency across data packages, and support for informed downstream reuse by both humans and computational tools. This dataset is comprised of (1) readme; (2) presentation slides with an overview of RC-SFA approach and guidance; (3) document of RC-SFA best practices; (4) data dictionary (dd); (5) file level metadata (flmd); and a subfolder containing templates for dd and flmd. All files are .csv and .pdf. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About.

AI-readiness↗
NASA NTRS1974

Iterative solution of transonic flows over airfoils and wings, including flows at Mach 1

A new method of calculating transonic flows based on a 'rotated' difference scheme is described. It is suitable for the calculation of both two- and three-dimensional flows without restriction on the speed at infinity and is well adapted to computer use. The Murman procedure is modified to eliminate any assumptions about the direction of flow when constructing the difference scheme. The proper directional property is obtained by rotating the difference scheme to conform with the local stream direction. In the hyperbolic region retarded difference formulas are used for all contributions to the streamwise second derivative, producing a correctly oriented positive artificial viscosity. In the absence of a simple implicit scheme in the hyperbolic and elliptic regions, the concept of iterations as steps in artificial time is introduced. Computer testing of this procedure provides numerical confirmation of the existence and uniqueness of weak solutions of the potential equation when a suitable entropy inequality is enforced.

Jameson, A.↗
NASA NTRS1979

Statistical analysis of multivariate atmospheric variables

Topics covered include: (1) estimation in discrete multivariate distributions; (2) a procedure to predict cloud cover frequencies in the bivariate case; (3) a program to compute conditional bivariate normal parameters; (4) the transformation of nonnormal multivariate to near-normal; (5) test of fit for the extreme value distribution based upon the generalized minimum chi-square; (6) test of fit for continuous distributions based upon the generalized minimum chi-square; (7) effect of correlated observations on confidence sets based upon chi-square statistics; and (8) generation of random variates from specified distributions.

Tubbs, J. D.↗
NASA NTRS1980

A new predictive model for determining solar wind-terrestrial planet interactions

A computational model has been developed for the determination of the gasdynamic and magnetic field properties of the solar wind flow around a magnetic planet, such as the earth, or a nonmagnetic planet, such as Venus. The procedures are based on an established single-fluid, steady, dissipationless, magnetogasdynamic model and are appropriate for the calculation of axisymmetric, supersonic, super-Alfvenic solar wind flow past a planetary magneto/ionosphere. Sample results are reported for a variety of solar wind and planetary conditions. Some of these are new applications; others are included to show that the new procedures produce the same results as previous procedures when applied to the same conditions. The new methods are completely automated and much more efficient and versatile than those employed heretofore.

Spreiter, J. R.↗
NASA NTRS1986

Designing Power-Transmission Shafting

Consideration of stress and fatigue life gives better designs. Shafting-design procedure developed based on fatigue-strength considerations. Method accounts for effects of static and constant-amplitude fluctuating loads. Also provides shaft-diameter estimates for variable amplitude-loading duty cycles. Method lends itself to computer-aided design of both aerospace and industrial shafting.

Loewenthal, S. H.↗
NASA NTRS1989

Parallel-vector solution of large-scale structural analysis problems on supercomputers

A direct linear equation solution method based on the Choleski factorization procedure is presented which exploits both parallel and vector features of supercomputers. The new equation solver is described, and its performance is evaluated by solving structural analysis problems on three high-performance computers. The method has been implemented using Force, a generic parallel FORTRAN language.

Storaasli, Olaf O.↗
NASA NTRS1992

Neural network classification of questionable EGRET events

High energy gamma rays (greater than 20 MeV) pair producing in the spark chamber of the Energetic Gamma Ray Telescope Experiment (EGRET) give rise to a characteristic but highly variable 3-D locus of spark sites, which must be processed to decide whether the event is to be included in the database. A significant fraction (about 15 percent or 10(exp 4) events/day) of the candidate events cannot be categorized (accept/reject) by an automated rule-based procedure; they are therefore tagged, and must be examined and classified manually by a team of expert analysts. We describe a feedforward, back-propagation neural network approach to the classification of the questionable events. The algorithm computes a set of coefficients using representative exemplars drawn from the preclassified set of questionable events. These coefficients map a given input event into a decision vector that, ideally, describes the correct disposition of the event. The net's accuracy is then tested using a different subset of preclassified events. Preliminary results demonstrate the net's ability to correctly classify a large proportion of the events for some categories of questionables. Current work includes the use of much larger training sets to improve the accuracy of the net.

Meetre, C. A.↗
NASA NTRS1992

An efficient pressure-velocity procedure for gas-droplet two-phase flow calculations

This paper presents a noniterative numerical technique for computing time-dependent gas-droplet flows. The method is a fully interacting combination of Eulerian fluid and Lagrangian particle calculations. The interaction calculations between the two phases are formulated on a pressure-velocity-coupling procedure based on the operator-splitting technique. This procedure eliminates the global iterations required in the conventional particle-source-in-cell procedure. Turbulent dispersion calculations are treated by a stochastic procedure. Numerical calculations and comparisons with available experimental data as well as efficiency assessments are given for some sprays typical of spray combustion applications.

Chen, C. P.↗
NASA NTRS1993

Real-time dynamics and control strategies for space operations of flexible structures

This project (NAG9-574) was meant to be a three-year research project. However, due to NASA's reorganizations during 1992, the project was funded only for one year. Accordingly, every effort was made to make the present final report as if the project was meant to be for one-year duration. Originally, during the first year we were planning to accomplish the following: we were to start with a three dimensional flexible manipulator beam with articulated joints and with a linear control-based controller applied at the joints; using this simple example, we were to design the software systems requirements for real-time processing, introduce the streamlining of various computational algorithms, perform the necessary reorganization of the partitioned simulation procedures, and assess the potential speed-up realization of the solution process by parallel computations. The three reports included as part of the final report address: the streamlining of various computational algorithms; the necessary reorganization of the partitioned simulation procedures, in particular the observer models; and an initial attempt of reconfiguring the flexible space structures.

Park, K. C.↗
NASA NTRS1995

Supersonic wing and wing-body shape optimization using an adjoint formulation

This paper describes the implementation of optimization techniques based on control theory for wing and wing-body design of supersonic configurations. The work represents an extension of our earlier research in which control theory is used to devise a design procedure that significantly reduces the computational cost by employing an adjoint equation. In previous studies it was shown that control theory could be used to~eviseransonic design methods for airfoils and wings in which the shape and the surrounding body-fitted mesh are both generated analytically, and the control is the mapping function. The method has also been implemented for both transonic potential flows and transonic flows governed by the Euler equations using an alternative formulation which employs numerically generated grids, so that it can treat more general configurations. Here results are presented for three-dimensional design cases subject to supersonic flows governed by the Euler equation.

Reuther, James↗