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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 595 records · Page 33
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

A Study of Cavitation-Ignition Bubble Combustion

We present the results of an experimental and computational study of the physics and chemistry of cavitation-ignition bubble combustion (CIBC), a process that occurs when combustible gaseous mixtures are ignited by the high temperatures found inside a rapidly collapsing bubble. The CIBC process was modeled using a time-dependent compressible fluid-dynamics code that includes finite-rate chemistry. The model predicts that gas-phase reactions within the bubble produce CO and other gaseous by-products of combustion. In addition, heat and mechanical energy release through a bubble volume-expansion phase are also predicted by the model. We experimentally demonstrate the CIBC process using an ultrasonically excited cavitation flow reactor with various hydrocarbon-air mixtures in liquid water. Low concentrations (< 160 ppm) of carbon monoxide (CO) emissions from the ultrasonic reactor were measured, and found to be proportional to the acoustic excitation power. The results of the model were consistent with the measured experimental results. Based on the experimental findings, the computational model, and previous reports of the "micro-diesel effect" in industrial hydraulic systems, we conclude that CIBC is indeed possible and exists in ultrasonically- and hydrodynamically-induced cavitation. Finally, estimates of the utility of CIBC process as a means of powering an idealized heat engine are also presented.

Nguyen, Quang-Viet↗
NASA NTRS1990

Shock interference studies on a circular cylinder at Mach 16

This paper presents the results of a computational study on the shock interference problems on a cylindrical body typical of an engine inlet cowl leading edge at a nominal Mach number of 16. The two-dimensional Navier-Stokes equations are solved assuming the flow to be in chemical and thermal equilibrium and using a finite element method. The algorithm employs a cell-centered fully implicit upwind scheme. Adaptively generated unstructured meshes of triangles and quadrilaterals are employed. Under certain conditions the finite element code resulted in oscillatory solutions for shock interference at Mach 16. Some of the causes of the unsteady behavior are identified, and to the extent possible, such situations are avoided in the present application. Two shock interference conditions involving a Type IV (supersonic jet) and a Type III (attaching shear layer) are solved. The results are compared with available experimental data and reasonable agreement is observed. A semi-empirical method is also used to estimate the maximum surface heat flux and static pressure.

Prabhu, Ramadas K.↗
DOE OSTI2021

Computational and Experimental Study for the Denitrification of Biomass-Derived Hydrothermal Liquefaction Oil

Hydrothermal liquefaction (HTL) is a promising method for processing wet biomass and waste feedstock to produce biofuels. During the HTL process, proteins and other biomolecules in certain feedstock get converted into nitrogenous compounds in produced biocrude, which represents a major challenge to further upgrading them into fuels. One promising approach is to separate nitrogenous compounds from the biocrude using polymeric resins. In this study, experiments were conducted to down-select sorbent and resin systems using a nitrogen-compound-containing surrogate biocrude. We model the binding interactions between an Amberlyst polymeric resin with various compounds present in the biocrude mixture such as nitrogenous compounds like pyrrole, pyridine, hexanamide, and representative co-existing compounds like phenol and dodecanoic acid. To ascertain the efficiency of various resins in the denitrogenation process, we have developed a quantitative structure–function model for the interacting components in the mixture. Our results suggest that the Amberlyst resin is a viable candidate for efficient removal of target nitrogen-containing compounds (such as pyridine) from the biocrude as a result of favorable interactions. The computational studies provide some insight into how and why the identified resin (Amberlyst) works in selective extraction of nitrogenous compound(s).

09 BIOMASS FUELS↗
DOE OSTI2023

Numerical Analysis of Novel Plate Type Heat Exchanger with Oval-Twisted Channels

The novel heat exchanger (HX) designs implementing geometrical and surface modification combinations are expected to perform better than traditional HX technologies. Applied enhancement techniques seek to achieve (1) higher overall heat transfer performance, (2) increased compactness, and (3) simplified or comparable manufacturability. One innovative enhancement technique is to generate swirling flow vortices induced by channel or tube twisting. The turbulence generated by the twisted cross-section greatly enhances the heat transfer rate with minimal increases in pressure drop. Plate-type HXs and Printed Circuit Heat Exchangers (PCHXs) are compact designs that achieve high heat transfer rates per unit volume by utilizing several small channels, which maximizes the heat transfer surface area between the hot and cold fluids. Currently, advanced manufacturing technologies enable the design and fabrication of compact-type units with complicated channel geometries to achieve the highest performance and meet the compactness criteria of innovative HX technology. The proposed HX design concept combines the compactness of plate-type HXs and twisted channels, which provide additional turbulence and flow swirl enhancement. The plate-type oval-twisted HX (PTOTHX) is a crossflow configuration, with 16 short channels on one side (for hot fluid) and 8 long channels on the perpendicular side (for cold fluid). The inlet plenums have flow guide vanes to redirect flow and produce uniformity across the various flow paths. The compact size and purportedly improved heat transfer performance of the PTOTHX investigated herein prove its viability in various applications. Some notable potential nuclear applications of the PTOTHX include reactor core, spent fuel cooling, and residual heat dissipation. To establish a reference case, circular channels (PTCHX) are also considered in the present study for comparison with (PTOTHX). This paper aims to outline the numerical analysis procedures for determining the viability of the PTOTHX by comparing its heat transfer performance with the PTCHX units. The computational study used STAR-CCM+, a commercial computational fluid dynamics (CFD) code. Sensitivity analysis and model selection studies are conducted to determine the appropriate mesh density and turbulence model to provide the reported results. Numerical analyses comparing the Nusselt number (Nu) of the PTOTHX design with a comparable HX unit, including a circular cross-section and no twisting (PTCHX), show an overall heat transfer performance increase of 29-55% for balanced flow and 29-59% for imbalanced flow. Oval-cross-sectional twisted channels induce swirling flow vortices, enhancing the working fluid's convective heat transfer capabilities.

25 ENERGY STORAGE↗
DOE OSTI2022

Supervised learning and the finite-temperature string method for computing committor functions and reaction rates

A central object in the computational studies of rare events is the committor function. Though costly to compute, the committor function encodes complete mechanistic information of the processes involving rare events, including reaction rates and transition-state ensembles. Under the framework of transition path theory, Rotskoff et al. [Proceedings of the 2nd Mathematical and Scientific Machine Learning Conference, Proceedings of Machine Learning Research (PLMR, 2022), Vol. 145, pp. 757–780] proposes an algorithm where a feedback loop couples a neural network that models the committor function with importance sampling, mainly umbrella sampling, which collects data needed for adaptive training. Here, in this work, we show additional modifications are needed to improve the accuracy of the algorithm. The first modification adds elements of supervised learning, which allows the neural network to improve its prediction by fitting to sample-mean estimates of committor values obtained from short molecular dynamics trajectories. The second modification replaces the committor-based umbrella sampling with the finite-temperature string (FTS) method, which enables homogeneous sampling in regions where transition pathways are located. We test our modifications on low-dimensional systems with non-convex potential energy where reference solutions can be found via analytical or finite element methods, and show how combining supervised learning and the FTS method yields accurate computation of committor functions and reaction rates. We also provide an error analysis for algorithms that use the FTS method, using which reaction rates can be accurately estimated during training with a small number of samples. The methods are then applied to a molecular system in which no reference solution is known, where accurate computations of committor functions and reaction rates can still be obtained.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Ab initio Molecular Dynamics Beyond Density Functional Theory

The funding from this award supported the development of new theoretical methods that both increase the accuracy of quantum simulations beyond that of density functional theory, as well as reduce the cost of such simulations, for example, through machine learning and algorithmic improvements. The improvements lead to, in some cases, orders of magnitude increases in simulation speed as well as orders of magnitude increase in accuracy, compared to before this work was started. This translates to both greater certainty in making predictions about chemical phenomena that are currently studied computationally, as well as laying the ground-work for the study of new areas of chemistry that have not traditionally been simulated, because of the new time-scales and accuracies that can be reached.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

Ecological Study of Lagoons Surrounding the John F. Kennedy Space Center, Brevard County, Florida : Theses and Project Reports - Volume 2

Many of the detailed studies done in connection with Ecological Study of the Lagoons surrounding the John F. Kennedy Space Port were performed as Master's Thesis investigations by various graduate students enrolled at F. I. T. during and subsequent to the report. The scope and purpose of what we came to call "the KSC Baseline Study" caught the imagination and interest of our student body. Many who were not financially or otherwise connected with the project found their inspiration in studies that were directly connected with project, and thus added materially to the totality of the knowledge gained. An example of one such study is the first article included in this Volume, A Master's Thesis study performed by Shen Phillip Chen, who chose the site for his investigation so that his results would correlate with and extend the results of others. In addition to the Master's Theses contained in this Volume, six other graduate studies must be acknowledged here as contributing to this Report, although they have not reached the stage of final publication. Ms. Sandra Fettes has completed a study of the amounts of five trace metals in mangrove leaves from plants at various locations around the Kennedy Space Center. Mr. Bernard Cohenour has isolated and identified a number of oil consuming bacteria endemic in the waters of the Indian Rivers. Mr. Charles Waterhouse has analyzed historic data of tidal gauges in the lagoonal area and correlated it with wind field records. Mr. Renkert Meyer has measured the vertical and horizontal currents of the lagoons and is attempting an interpretation of them in terms of the wind field as a driving force. Mr. Richard Campbell has measured the rate of nitrogen fixation in both the water columns and the sediments under them in the lagoons. Mr. Craig Weiderhold has measured thl3 annual variations in the populations of benthic invertebrates in the lagoons. An integral part of the F. I. T. curriculum is a requirement that each undergraduate student perform an independent study during his Senior year and submit his results in the form and format of a professional scientific report. While none of these senior Project Reports have been included in this Volume because of space limitations, many of them aided significantly in the overall study. Typical of these were: light and dark bottle studies of the blue-green algae respiration; writing and executing computer studies comparing the water chemistry data from various sites; detection and identification of nitrogen fixation bacteria in the Indian River; measurement of dissolved oils and greases in the river, photographically recording the benthic life-forms found in the river bottom; measuring the vertical structure of drift and slope currents in too lagoons; and measurement of water level variations along the long axis of a lagoon as a function of wind stress. These articles are published as a part of this Final Report in an effort to make available for the record as much of the basic data as possible. The few articles published on the Indian River have in general not contained much detailed data, so that comparisons of current status to conditions of the past are difficult or impossible. A major effort of both the Oceanographic and Ecological communities for the past decade has been the retrieval and storage of basic data in order to permit determinations of trends or changes in baseline conditions. It is believed that the information compiled here will be of great value in any future investigations.

Source record↗
NASA NTRSDate not supplied

NASA Langley Research Center Contributions to the 3rd AePW High-Speed Working Group - HyMAX Computational Aeroelastic Predictions

This presentation is given at the 3rd AePW High-Speed Working Group co-located at the AIAA 2023 SciTech Conference. It is a computation study of the UNSW Canberra HyMAX hypersonic flexible plate experiment. The computations are performed with the FUN3D aeroelastic CFD code. Analysis of a 2 and 10 degree turning angle cases are done. The Mach number is 5.8. The unsteady pressures and displacements and damping of the structure are presented.

Hypersonics↗
DOE OSTI2022

Feasibility study of quantum computing using trapped electrons

In this study, we investigate the feasibility of using electrons in a linear Paul trap as qubits in a future quantum computer. We discuss the necessary experimental steps to realize such a device through a concrete design proposal, including trapping, cooling, electronic detection, spin readout, and single- and multiqubit gate operations. Numeric simulations indicate that two-qubit Bell-state fidelities of order 99.99% can be achieved assuming reasonable experimental parameters.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Toward a mechanistic understanding of electrocatalytic nanocarbon

Electrocatalytic nanocarbon (EN) is a class of material receiving intense interest as a potential replacement for expensive, metal-based electrocatalysts for energy conversion and chemical production applications. The further development of EN will require an intricate knowledge of its catalytic behaviors, however, the true nature of their electrocatalytic activity remains elusive. This review highlights work that contributed valuable knowledge in the elucidation of EN catalytic mechanisms. Experimental evidence from spectroscopic studies and well-defined molecular models, along with the survey of computational studies, is summarized to document our current mechanistic understanding of EN-catalyzed oxygen, carbon dioxide and nitrogen electrochemistry. We hope this review will inspire future development of synthetic methods and in situ spectroscopic tools to make and study well-defined EN structures.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Description and preliminary studies of a computer drawn instrument landing approach display

A computer drawn instrument landing approach display, which shows a box located on the desired path, aligned with the path, and moving along the path at a selected distance ahead of the aircraft, was examined. Vertical and lateral displacements from the desired path and aircraft altitude information are used as inputs to the computer. A preliminary simulation study with pilot subjects has shown that the pilots find the display very easy to use, and they achieved better performance scores with the box display than with a cross pointer instrument landing display.

Adams, J. J.↗
NASA NTRS1989

Numerical Simulation of Flow Through an Artificial Heart

A solution procedure was developed that solves the unsteady, incompressible Navier-Stokes equations, and was used to numerically simulate viscous incompressible flow through a model of the Pennsylvania State artificial heart. The solution algorithm is based on the artificial compressibility method, and uses flux-difference splitting to upwind the convective terms; a line-relaxation scheme is used to solve the equations. The time-accuracy of the method is obtained by iteratively solving the equations at each physical time step. The artificial heart geometry involves a piston-type action with a moving solid wall. A single H-grid is fit inside the heart chamber. The grid is continuously compressed and expanded with a constant number of grid points to accommodate the moving piston. The computational domain ends at the valve openings where nonreflective boundary conditions based on the method of characteristics are applied. Although a number of simplifing assumptions were made regarding the geometry, the computational results agreed reasonably well with an experimental picture. The computer time requirements for this flow simulation, however, are quite extensive. Computational study of this type of geometry would benefit greatly from improvements in computer hardware speed and algorithm efficiency enhancements.

Rogers, Stuart E.↗
NASA NTRS1991

Evaluation of a three-dimensional Navier-Stokes solver for transonic flow over a low-aspect-ratio wing mounted in a wind tunnel

A three dimensional Navier-Stokes solver is evaluated for transonic flow over a thin, swept, low-aspect ratio wing. The computational study was undertaken in support of a wind tunnel experimental program. The computational results are compared to experimental surface pressure data obtained in a cryogenic wind tunnel with an adaptive wall test section. The results show favorable agreement over a wide range of conditions, further the numerical results provide additional data of the complex three-dimensional flow field. Differences in the predictions and experiment suggest a need to conduct further experiments to evaluate the adaptive wall testing technique, and to model the tunnel sidewall boundary layer in the computations.

Milholen, William E., II↗
NASA NTRS2021

Hypersonic Boundary-Layer Instabilities over Ogive-Cylinder Models

Computational investigations of an ogive-cylinder geometry with varying nosetips at zero degrees angle of attack are presented. The model geometry and conditions are selected to match experiments conducted in the Air Force Research Laboratory (AFRL) Mach 6 Ludwieg Tube. Five nosetips of interest were selected for the computational studies herein: two sharp ogives, two blunt ogives, and one hemispherical nosetip. Computations are performed at a freestream Reynolds number of 7.01 × 10 6 m -1 . Each sharp and blunt tip ogives had a 14 and 28 degree version for the tip angles. A cylindrical section follows the nosetip, resulting in a meter long model such as in the experiments. The laminar flow solutions are analyzed. The boundary-layer-edge properties and the velocity and temperature profiles are compared across streamwise locations aft of the ogive-cylinder junction. The blunt nosetips induce an entropy layer that envelopes the boundary-layer profiles. Modal stability analysis identifies most amplified frequencies corresponding to Mack’s second modes that agree with experimental results for the sharp tips. Similar to the experimental measurements based on wall-mounted pressure sensors, no unstable modes are found for the blunt models. Nonmodal analysis revealed a broadband set of disturbances present for the blunter tips, in agreement with experimental observations. Flow perturbation contours of most amplified planar and oblique disturbances are shown to qualitatively match wind tunnel Schlieren images, with a switch from rope-like to elongated structures, i.e., from high frequency Mack’s second modes to low frequency Mack’s first modes, as the nosetip angle is increased for the sharp tip, and from boundary-layer to entropy-layer disturbances as the bluntness is increased.

Boundary layer transition↗
NASA NTRS2022

Hypersonic Boundary-Layer Instabilities over Ogive-Cylinder Models

Computational investigations of an ogive-cylinder geometry with varying nosetips at zero degrees angle of attack are presented. The model geometry and conditions are selected to match experiments conducted in the Air Force Research Laboratory (AFRL) Mach 6 Ludwieg Tube. Five nosetips of interest were selected for the computational studies herein: two sharp ogives, two blunt ogives, and one hemispherical nosetip. Computations are performed at a freestream Reynolds number of 7.01 × 10 6 m -1 . Each sharp and blunt tip ogives had a 14 and 28 degree version for the tip angles. A cylindrical section follows the nosetip, resulting in a meter long model such as in the experiments. The laminar flow solutions are analyzed. The boundary-layer-edge properties and the velocity and temperature profiles are compared across streamwise locations aft of the ogive-cylinder junction. The blunt nosetips induce an entropy layer that envelopes the boundary-layer profiles. Modal stability analysis identifies most amplified frequencies corresponding to Mack’s second modes that agree with experimental results for the sharp tips. Similar to the experimental measurements based on wall-mounted pressure sensors, no unstable modes are found for the blunt models. Nonmodal analysis revealed a broadband set of disturbances present for the blunter tips, in agreement with experimental observations. Flow perturbation contours of most amplified planar and oblique disturbances are shown to qualitatively match wind tunnel Schlieren images, with a switch from rope-like to elongated structures, i.e., from high frequency Mack’s second modes to low frequency Mack’s first modes, as the nosetip angle is increased for the sharp tip, and from boundary-layer to entropy-layer disturbances as the bluntness is increased.

Boundary layer transition↗
DOE OSTI2020

The mechanism of carboxylative cyclization of propargylamine by N-heterocyclic carbene complexes of Au(I)

Here, the complex [Au(IPr)(2-oxazolidinone)] (1 = IKa) was prepared from reaction of [Au(IPr)Cl] (2), K 2 CO 3 , and propargyl amine (PPA). Kinetic studies have been performed for acid cleavage of 1 to yield the oxazolidinone product and an [Au(IPr)(X)] adduct. The fastest rates of cleavage were found to occur for the hydrogen chloride salt of PPA (PPA-HCl) and for the CO 2 adduct of PPA, PPA-CO 2 = the carbamic acid (CA). This transformation was studied as a function of [CA], pressure of CO 2 as well as temperature. Detailed computational studies support the formation of a key intermediate and are also in agreement with a rapid carbonylation/decarbonylation reaction. The computed reactions mechanisms for addition of PPA-HCl and CA are also presented as well as the crystal structure of 1.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗