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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 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Dynamical tuning of the chemical potential to achieve a target particle number in grand canonical Monte Carlo simulations

We present a method to facilitate Monte Carlo simulations in the grand canonical ensemble given a target mean particle number. The method imposes a fictitious dynamics on the chemical potential, to be run concurrently with the Monte Carlo sampling of the physical system. Corrections to the chemical potential are made according to time-averaged estimates of the mean and variance of the particle number, with the latter being proportional to thermodynamic compressibility. Here, we perform a variety of tests, and in all cases find rapid convergence of the chemical potential—inexactness of the tuning algorithm contributes only a minor part of the total measurement error for realistic simulations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Evaluating Optimization Strategies for Engine Simulations Using Machine Learning Emulators

This work evaluates different optimization algorithms for computational fluid dynamics (CFD) simulations of engine combustion. Due to the computational expense of CFD simulations, emulators built with machine learning algorithms were used as surrogates for the optimizers. Two types of emulators were used: a Gaussian process (GP) and a weighted variety of machine learning methods called SuperLearner (SL). The emulators were trained using a dataset of 2048 CFD simulations that were run concurrently on a supercomputer. The design of experiments (DOE) for the CFD runs was obtained by perturbing nine input parameters using a Monte-Carlo method. The CFD simulations were of a heavy duty engine running with a low octane gasoline-like fuel at a partially premixed compression ignition mode. Ten optimization algorithms were tested, including types typically used in research applications. Each optimizer was allowed 800 function evaluations and was randomly tested 100 times. The optimizers were evaluated for the median, minimum, and maximum merits obtained in the 100 attempts. Some optimizers required more sequential evaluations, thereby resulting in longer wall clock times to reach an optimum. The best performing optimization methods were particle swarm optimization (PSO), differential evolution (DE), GENOUD (an evolutionary algorithm), and micro-genetic algorithm (GA). These methods found a high median optimum as well as a reasonable minimum optimum of the 100 trials. Moreover, all of these methods were able to operate with less than 100 successive iterations, which reduced the wall clock time required in practice. Two methods were found to be effective but required a much larger number of successive iterations: the DIRECT and MALSCHAINS algorithms. A random search method that completed in a single iteration performed poorly in finding optimum designs but was included to illustrate the limitation of highly concurrent search methods. The last three methods, Nelder–Mead, bound optimization by quadratic approximation (BOBYQA), and constrained optimization by linear approximation (COBYLA), did not perform as well.

Probst, Daniel M.↗
DOE OSTI2023

Artificial Neural Network Models for Octane Number and Octane Sensitivity: A Quantitative Structure Property Relationship Approach to Fuel Design

Octane sensitivity (OS), defined as the research octane number (RON) minus the motor octane number (MON) of a fuel, has gained interest among researchers due to its effect on knocking conditions in internal combustion engines. Compounds with a high OS enable higher efficiencies, especially within advanced compression ignition engines. RON/MON must be experimentally tested to determine OS, requiring time, funding, and specialized equipment. Thus, predictive models trained with existing experimental data and molecular descriptors (via quantitative structure-property relationships (QSPRs)) would allow for the preemptive screening of compounds prior to performing these experiments. Here, the present work proposes two methods for predicting the OS of a given compound: using artificial neural networks (ANNs) trained with QSPR descriptors to predict RON and MON individually to compute OS (derived octane sensitivity (dOS)), and using ANNs trained with QSPR descriptors to directly predict OS. Twenty-five ANNs were trained for both RON and MON and their test sets achieved an overall 6.4% and 5.2% error, respectively. Twenty-five additional ANNs were trained for both dOS and OS; dOS calculations were found to have 15.3% error while predicting OS directly resulted in 9.9% error. A chemical analysis of the top QSPR descriptors for RON/MON and OS is conducted, highlighting desirable structural features for high-performing molecules and offering insight into the inner mathematical workings of ANNs; such chemical interpretations study the interconnections between structural features, descriptors, and fuel performance showing that connectivity, structural diversity, and atomic hybridization consistently drive fuel performance.

09 BIOMASS FUELS↗
DOE OSTI2024

Weak-Form Latent Space Dynamics Identification

This software showcases the enhanced capabilities of the Latent Space Dynamics Identification (LaSDI) algorithm through the application of the weak form, resulting in WLaSDI. WLaSDI first compresses the data, then projects it onto test functions, and subsequently learns the local latent space models. Notably, WLaSDI demonstrates significantly improved robustness to noise. Using weak-form equation learning techniques, WLaSDI achieves local latent space modeling. Compared to the standard sparse identification of nonlinear dynamics (SINDy) used in LaSDI, the variance reduction of the weak form ensures robust and precise latent space recovery, enabling fast, robust, and accurate simulations. We demonstrate the efficacy of WLaSDI against LaSDI using several common benchmark examples, including viscid and inviscid Burgers', radial advection, and heat conduction. For instance, in 1D inviscid Burgers' simulations with up to 100% Gaussian white noise, WLaSDI maintains relative errors consistently below 6%, whereas LaSDI errors can exceed 10,000%. Similarly, in radial advection simulations, WLaSDI keeps relative errors below 16%, compared to potential errors of up to 10,000% with LaSDI. Additionally, WLaSDI achieves significant speedups, such as a 140X speedup in 1D Burgers' simulations compared to the corresponding full order model.

Choi, Youngsoo↗
DOE OSTI2021

Milliradian precision ultrafast pulse control for spectral phase metrology

A pulse-shaper-based method for spectral phase measurement and compression with milliradian precision is proposed and tested experimentally. Measurements of chirp and third-order dispersion are performed and compared to theoretical predictions. The single-digit milliradian accuracy is benchmarked by a group velocity dispersion measurement of fused silica.

Stamm, Jacob↗
DOE OSTI2020

Prediction of Research/Motor Octane Number and Octane Sensitivity Using Artificial Neural Networks

Octane sensitivity (OS), dfined as the research octane number (RON) minus the motor octane number (MON) of a given fuel, has gained interest among researchers due to its apparent ffect on knocking conditions in internal combustion engines. Compounds with a high OS enable higher efficiencies, especially with respect to advanced compression ignition engines. RON/MON must be experimentally tested to determine OS; however, the experimental methods utilized require a substantial amount of time, a significant monetary investment, and specialized equipment. To this end, predictive computational models trained with existing experimental data and molecular properties would allow for the preemptive screening of compounds prior to performing these experiments. The present work proposes two methods for predicting the OS of a given compound: using artficial neural networks (ANNs) trained with quantitative structure-property relationship (QSPR) descriptors to predict RON and MON individually to compute OS from RON/MON predictions (derived octane sensitivity, dOS), and using an ANN trained with QSPR descriptors to directly predict OS. ANNs trained to predict RON and MON achieved test set root-mean-square errors (RMSEs) of 10.499 and 7.551 respectively. dOS calculations were found to have a test set RMSE of 6.432 while predicting OS directly resulted in a test set RMSE of 7.019, showing it is more bene cial to obtain OS from RON/MON predictions than predicting it directly. Furthermore, relationships between individual QSPR descriptors and RON/MON/OS are discussed, highlighting correlations between specfic molecular features and these properties.

09 BIOMASS FUELS↗
DOE OSTI2025

Quality Investigation of Pultruded Carbon Fiber Panels Subjected to Four-Point Flexure via Fiber Optic Sensing

Pultruded carbon fiber-reinforced composites are attractive to the wind energy industry due to the rapid production of highly aligned unidirectional composites with enhanced fiber volume fractions and increased specific strength and stiffness. However, high volume carbon fiber manufacturing remains cost-prohibitive. This study investigates the feasibility of a pultruded low-cost textile carbon fiber-reinforced epoxy composite as a promising material in spar cap production was undertaken based on mechanical response to four-point flexure loading. As spar caps are primarily subjected to flexural loading, large-span four-point flexure was considered, and coupon testing was restricted to tensile modulus and compression strength assessment. High-resolution spatial fiber optic strain sensing was utilized to determine spatial strain distribution during four-point flexure, revealing consistent strain along the length of the part and proved to be an excellent option for process manufacturing quality examination. Additionally, holes with diameters of 2.49 mm, 5.08 mm, and 1.93 mm were drilled through the thickness of full-width parts to determine the feasibility of structural health monitoring of pultruding parts internal to wind blades via fiber optic strain sensing.

Chemistry↗
DOE OSTI2024

Cellulose Nanofibrils Dewatered with Poly(Lactic Acid) for Improved Bio-Polymer Nanocomposite Processing

Cellulose nanofibrils (CNFs) have theoretically ideal properties for bio-based composite applications; however, the incorporation of these materials into polymers is made challenging by the strong binding of water to CNFs and the irreversible agglomeration of CNFs during drying. Previous methods used “contact dewatering”, wherein the addition of wood flour (WF) to CNFs facilitated the mechanical removal of water from the system via cold pressing, which showed potential in producing dried CNF fibrils attached to wood fibers for biocomposite applications. In this work, the viability of contact dewatering with poly(lactic) acid (PLA) powder for PLA/CNF composites was evaluated. The energy efficiency of dewatering, preservation of nanoscale CNF morphology, and mechanical properties were examined by mixing wet CNFs with pulverized PLA at various loading levels, pressing water out of the system, and compression molding and shear mixing composites for testing. The most impressive results from this dewatering method were the preservation of micron-to-nanoscale fibers with high aspect ratios in PLA-CNF composites; increased strength and modulus of 1.7% and 4.2%, respectively, compared to neat PLA; equivalent or better properties than spray-dried nanocellulose at similar loading levels; and an 11-194x reduction in drying energy compared to spray-drying CNFs.

Chemistry↗
NASA NTRS1972

Experimental studies and applications of vanadium oxides.

The electrical and electrochemical properties of V-5 and V-7 vanadium oxides were investigated. The effects of pressure, temperature and moisture on the bulk resistivity of the oxides in powder, sintered, and crystalline form were determined, and the static and dynamic volt-ampere characteristics were obtained. Sintered samples tested showed better electrical stability than the compressed powder samples. Two types of commercially available vanadium pentoxide were heat-treated to obtain various crystalline oxide forms which were mounted on alumina substrates and terminated by thick-film conductors for making electrical connections. Indications are that these materials could have applications as sensors, critical-temperature resistors, high-speed switches, and temperature-compensation elements in hybrid microelectronic circuits.

Williams, L., Jr.↗
NASA NTRS1974

Results of tests to determine the aerodynamic characteristics of two potential aeromaneuvering orbit-to-orbit shuttle (AMOOS) vehicle configurations in the NASA-Ames 3.5 foot hypersonic wind tunnel

An aerodynamic wind tunnel investigation was conducted in the NASA-Ames Research Center (ARC) 3.5-foot hypersonic facility to provide data for use in obtaining experimental force and static stability characteristics of two potential aeromaneuvering orbit-to-orbit shuttle (AMOOS) vehicle configurations. The experimental data were compared with the aerodynamic characteristics estimated using Newtonian theory, thus establishing the usefulness of these predictions. The candidate AMOOS configurations selected for the wind tunnel tests were the AMOOS 5B and HB configurations. Two flap configurations were tested for each candidate - a forward or compression surface flap and an aft or expansion flap. Photographs and sketches of the two configurations with different control surfaces are shown. It was determined that Newtonian theory generally predicted the aerodynamics of the 5B configuration with acceptable accuracy for all expansion flap deflections and for compression flap deflections less than or equal to 10 degrees. Flow separation upstream of large compression flap deflections was detected from the experimental data.

Ketter, F. C., Jr.↗
NASA NTRS1974

Strengthening silicon carbide by quenching

Quenching was used to form compressive surface layers in hot-pressed silicon carbide. The presence of the compressive stresses was verified by slotted rod tests. The slotted rod tip deflection was retained at temperatures to at least 1380 C, showing that the stresses are not relieved immediately at elevated temperatures. The flexural strength and impact resistance of specimens quenched from moderate temperatures (2000 C) were increased. Frequently, specimens quenched from higher temperatures were weakened by thermal shock damage.

Gruver, R. M.↗
NASA NTRS1980

Multiple-creep-test apparatus

Simplified, compact apparatus uses fixtures that can test three samples at once for flexure, compression, or double-shear creep. Each fixture uses series of rods and plates to divide one load equally among three samples. Fixtures could be expanded to carry more samples by adding more rods and plates.

Haehner, C. L.↗
NASA NTRS1983

J-Channel Locks Potting to Compression Panel

Panel ends supported to prevent edge failure during testing. J-Channels attached to panel ends form mechanical lock with potting compound during elevated temperature tests. Not needed during room-temperature tests.

Royster, D. M.↗
NASA NTRS1983

Experimental creep data for a built-up aluminum/titanium structure subjected to heating and loading

Experimental creep, temperature, and strain data resulting from a laboratory experiment on a built-up aluminum/titanium structure are presented. The structure and the experiment are described in detail. A heating and loading experiment lasting approximately six hours is conducted on a test structure. Considerable creep strain resulted from compressive stresses in the heated skin. Large residual stresses were found after the experiment was completed. The residual stresses in the substructure frames were large enough to preclude further cycles of creep experiments with this built-up structure because of concern that the frame webs would buckle.

Jenkins, J. M.↗
NASA NTRS1982

Compression fatigue behavior of composites in the presence of delaminations

Three different stacking sequences of a 64-ply layup were tested in an experimental investigation of the effect of idealized imbedded delaminations on the compression fatigue behavior of quasi-isotropic T300/5208 graphite-epoxy laminates. Postfailure examination of specimen cross sections revealed the absence of any fiber microbuckling, suggesting that the predominant failure mode was the propagation of imbedded delaminations in the tab region. One- and two-dimensional delaminations, respectively located across the entire width below the surface ply and buried one or four plies below the surface, were considered. A novel procedure employing minute, laser-drilled holes was successfully used in extending the application of diidobutane-enhaced radiography to buried delaminations.

Ramkumar, R. L.↗
NASA NTRS1983

Creep fatigue of low-cobalt superalloys: Waspalloy, PM U 700 and wrought U 700

The influence of cobalt content on the high temperature creep fatigue crack initiation resistance of three primary alloys was evaluated. These were Waspalloy, Powder U 700, and Cast U 700, with cobalt contents ranging from 0 up to 17 percent. Waspalloy was studied at 538 C whereas the U 700 was studied at 760 C. Constraints of the program required investigation at a single strain range using diametral strain control. The approach was phenomenological, using standard low cycle fatigue tests involving continuous cycling tension hold cycling, compression hold cycling, and symmetric hold cycling. Cycling in the absence of or between holds was done at 0.5 Hz, whereas holds when introduced lasted 1 minute. The plan was to allocate two specimens to the continuous cycling, and one specimen to each of the hold time conditions. Data was taken to document the nature of the cracking process, the deformation response, and the resistance to cyclic loading to the formation of small cracks and to specimen separation. The influence of cobalt content on creep fatigue resistance was not judged to be very significant based on the results generated. Specific conclusions were that the hold time history dependence of the resistance is as significant as the influence of cobalt content and increased cobalt content does not produce increased creep fatigue resistance on a one to one basis.

Leis, B. N.↗
NASA NTRS1983

Mechanical Property Characterization of F-100/934 Graphite-Epoxy Composite Material

Procedures for quality control, fabrication techniques, specimen machining, test methodologies, and data collection and interpretation were defined using Thornel P-100 carbon fiber combined with Fiberite's 934 epoxy resin in unidirectional tape form. Tests on the prepreg material, including gel time, resin solids content, tack, volatile content, and flow are detailed. The steps of the fabrication and machining processes are described. Both destructive and nondestructive techniques were employed to assess the properties of the cured laminates. Tests to determine tensile strength and modulus, compressive strength and modulus, interlaminar and inplane shear strength, and flexural strength and modulus are discussed. The results of these experiments are compared with data generated by other researchers.

Clinton, R. G., Jr.↗
NASA NTRS1984

Flowfield scaling of a swept compression corner interaction A comparison of experiment and computation

Over the past decade, there has been some important progress in understanding the problems of three-dimensional (3D) shock wave/turbulent boundary layer interactions. However, the problems are by no means solved. The present investigation has the objective to determine the flowfield structure of a swept compression corner interaction and to perform a test of an equation considered by Settles and Bogdonoff (1982). The experimental data obtained in a 20 x 20 cm high Reynolds number supersonic wind tunnel are compared with the predictions of a state-of-the-art numerical solution of the Navier-Stokes equations. It is found that a 3D scaling law for Reynolds number effects, previously established for interaction 'footprints', is equally valid when applied to the present flowfield.

Settles, G. S.↗