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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1983

Computer simulation of surface and film processes

Adequate computer methods, based on interactions between discrete particles, provide information leading to an atomic level understanding of various physical processes. The success of these simulation methods, however, is related to the accuracy of the potential energy function representing the interactions among the particles. The development of a potential energy function for crystalline SiO2 forms that can be employed in lengthy computer modelling procedures was investigated. In many of the simulation methods which deal with discrete particles, semiempirical two body potentials were employed to analyze energy and structure related properties of the system. Many body interactions are required for a proper representation of the total energy for many systems. Many body interactions for simulations based on discrete particles are discussed.

Tiller, W. A.↗
NASA NTRS1994

Determining noise temperatures in beam waveguide systems

A new 34-m research and development antenna was fabricated and tested as a precursor to introducing beam waveguide (BWG) antennas and Ka-band (32 GHz) frequencies into the NASA/JPL Deep Space Network. For deep space use, system noise temperature is a critical parameter. There are thought to be two major contributors to noise temperature in a BWG system: the spillover past the mirrors, and the conductivity loss in the walls. However, to date, there are no generally accepted methods for computing noise temperatures in a beam waveguide system. An extensive measurement program was undertaken to determine noise temperatures in such a system along with a correspondent effort in analytic prediction. Utilizing a very sensitive radiometer, noise temperature measurements were made at the Cassegrain focus, an intermediate focal point, and the focal point in the basement pedestal room. Several different horn diameters were used to simulate different amounts of spillover past the mirrors. Two analytic procedures were developed for computing noise temperature, one utilizing circular waveguide modes and the other a semiempirical approach. The results of both prediction methods are compared to the experimental data.

Imbriale, W.↗
DOE OSTI2019

Coupling 2D atomistic information to 3D kink-pair enthalpy models of screw dislocations in bcc metals

The kink-pair activation enthalpy is a fundamental parameter in the theory of plasticity of body-centered cubic (bcc) metals. It controls the thermally activated motion of screw dislocation at low and intermediate temperatures. While direct atomistic calculations of kink pairs on screw dislocations have reached a high degree of accuracy, they can only be practically performed using semiempirical interatomic force fields, as electronic structure methods have not yet reached the level of efficiency needed to capture the system sizes required to model kink-pair structures. In this context, an alternative approach based on standard three-dimensional elastic models, which are efficient but lack atomic-level information, coupled to a substrate potential that represents the underlying lattice, has been widely applied over the past few years. This class of methods, known as ‘line-on-substrate’ (LOS) models, uses the substrate potential to calculate the lattice contribution to the kink-pair energies. In this work, we introduce the stress dependence of the substrate potential into LOS models to evaluate its impact on kink-pair energies. In addition, we include asymmetric dislocation core energies as an extra descriptor of the dislocation character. This asymmetry is also elevated to the continuum level by adding core energies to the general LOS formulation and used to explain potential energy differences known to exist between left and right kinks in bcc metals. Finally, more importantly, by matching the total LOS energies to previously calculated atomistic energies of kink-pair configurations, we issue a rule to establish the value of the so-called core width in nonsingular elasticity theories and reduce its arbitrariness as a mathematical construct.

36 MATERIALS SCIENCE↗
NASA NTRS1981

An Improved Prediction Method for Noise Generated by Conventional Profile Coaxial Jets

A semiempirical model for predicting the noise generated by conventional velocity profile jets exhausting from coaxial nozzles is presented and compared with small scale static and simulated flight data. Improvements to the basic circular jet noise prediction are developed which improve the accuracy, especially at high jet velocity and near the jet axis.

Stone, J. R.↗
DOE OSTI2022

Deep learning of dynamically responsive chemical Hamiltonians with semiempirical quantum mechanics

Conventional machine-learning (ML) models in computational chemistry learn to directly predict molecular properties using quantum chemistry only for reference data. While these heuristic ML methods show quantum-level accuracy with speeds several orders of magnitude faster than traditional quantum chemistry methods, they suffer from poor extensibility and transferability; i.e., their accuracy degrades on large or new chemical systems. Incorporating quantum chemistry frameworks into the ML models directly solves this problem. Here we take the structure of semiempirical quantum mechanics (SEQM) methods to construct dynamically responsive Hamiltonians. SEQM methods use empirical parameters fitted to experimental properties to construct reduced-order Hamiltonians, facilitating much faster calculations than ab initio methods but with compromised accuracy. By replacing these static parameters with machine-learned dynamic values inferred from the local environment, we greatly improve the accuracy of the SEQM methods. Trained on molecular energies and atomic forces, these dynamically generated Hamiltonian parameters show a strong correlation with atomic hybridization and bonding. Trained with only about 60,000 small organic molecular conformers, the resulting model retains interpretability, extensibility, and transferability when testing on much larger chemical systems and predicting various molecular properties. Overall, this work demonstrates the virtues of incorporating physics-based descriptions with ML to develop models that are simultaneously accurate, transferable, and interpretable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1989

Airfoil self-noise and prediction

A prediction method is developed for the self-generated noise of an airfoil blade encountering smooth flow. The prediction methods for the individual self-noise mechanisms are semiempirical and are based on previous theoretical studies and data obtained from tests of two- and three-dimensional airfoil blade sections. The self-noise mechanisms are due to specific boundary-layer phenomena, that is, the boundary-layer turbulence passing the trailing edge, separated-boundary-layer and stalled flow over an airfoil, vortex shedding due to laminar boundary layer instabilities, vortex shedding from blunt trailing edges, and the turbulent vortex flow existing near the tip of lifting blades. The predictions are compared successfully with published data from three self-noise studies of different airfoil shapes. An application of the prediction method is reported for a large scale-model helicopter rotor, and the predictions compared well with experimental broadband noise measurements. A computer code of the method is given.

Brooks, Thomas F.↗
NASA NTRS2000

Aeroacoustic Prediction Codes

This report describes work performed on Contract NAS3-27720AoI 13 as part of the NASA Advanced Subsonic Transport (AST) Noise Reduction Technology effort. Computer codes were developed to provide quantitative prediction, design, and analysis capability for several aircraft engine noise sources. The objective was to provide improved, physics-based tools for exploration of noise-reduction concepts and understanding of experimental results. Methods and codes focused on fan broadband and 'buzz saw' noise and on low-emissions combustor noise and compliment work done by other contractors under the NASA AST program to develop methods and codes for fan harmonic tone noise and jet noise. The methods and codes developed and reported herein employ a wide range of approaches, from the strictly empirical to the completely computational, with some being semiempirical analytical, and/or analytical/computational. Emphasis was on capturing the essential physics while still considering method or code utility as a practical design and analysis tool for everyday engineering use. Codes and prediction models were developed for: (1) an improved empirical correlation model for fan rotor exit flow mean and turbulence properties, for use in predicting broadband noise generated by rotor exit flow turbulence interaction with downstream stator vanes: (2) fan broadband noise models for rotor and stator/turbulence interaction sources including 3D effects, noncompact-source effects. directivity modeling, and extensions to the rotor supersonic tip-speed regime; (3) fan multiple-pure-tone in-duct sound pressure prediction methodology based on computational fluid dynamics (CFD) analysis; and (4) low-emissions combustor prediction methodology and computer code based on CFD and actuator disk theory. In addition. the relative importance of dipole and quadrupole source mechanisms was studied using direct CFD source computation for a simple cascadeigust interaction problem, and an empirical combustor-noise correlation model was developed from engine acoustic test results. This work provided several insights on potential approaches to reducing aircraft engine noise. Code development is described in this report, and those insights are discussed.

Gliebe, P↗
NASA NTRS2022

AST Critical Propulsion and Noise Reduction Technologies for Future Commercial Subsonic Engines Aeroacoustic Prediction Codes - Supplement: Code Descriptions and Users Guides

This report describes work performed on Contract NAS3–27720 AoI 13 as part of the NASA Advanced Subsonic Transport (AST) Noise Reduction Technology effort. Computer codes were developed to provide quantitative prediction, design, and analysis capability for several aircraft engine noise sources. The objective was to provide improved, physics-based tools for the exploration of noise-reduction concepts and the understanding of experimental results. Methods and codes focused on fan broadband and “buzz saw” noise and on low-emissions combustor noise and complement work done by other contractors under the NASA AST program to develop methods and codes for fan harmonic tone noise and jet noise. The methods and codes developed and reported herein employ a wide range of approaches, from the strictly empirical to the completely computational, with some being semiempirical, analytical, and/or analytical/computational. Emphasis was on capturing the essential physics while still considering method or code utility as a practical design and analysis tool for everyday engineering use. Codes and prediction models were developed for: (1) an improved empirical correlation model for fan rotor exit flow mean and turbulence properties, for use in predicting broadband noise generated by rotor exit flow turbulence interaction with downstream stator vanes; (2) fan broadband noise models for rotor and stator/turbulence interaction sources including 3D effects, noncompact-source effects, directivity modeling, and extensions to the rotor supersonic tip-speed regime; (3) fan multiple-pure-tone in-duct sound pressure prediction methodology based on CFD analysis; and (4) low-emissions combustor prediction methodology and computer code based on CFD and actuator disk theory. In addition, the relative importance of dipole and quadrupole source mechanisms was studied using direct CFD source computation for a simple cascade/gust interaction problem, and an empirical combustor-noise correlation model was developed from engine acoustic test results. This work provided several insights on potential approaches to reducing aircraft engine noise. Code development is described in Volume I, and those insights are discussed. Volume II documents the computer codes developed and gives instructions on how to use them.

Philip Gliebe↗
NASA NTRS1991

Turbomachinery noise

Summarized here are key advances in experimental techniques and theoretical applications which point the way to a broad understanding and control of turbomachinery noise. On the experimental side, the development of effective inflow control techniques makes it possible to conduct, in ground based facilities, definitive experiments in internally controlled blade row interactions. Results can now be valid indicators of flight behavior and can provide a firm base for comparison with analytical results. Inflow control coupled with detailed diagnostic tools such as blade pressure measurements can be used to uncover the more subtle mechanisms such as rotor strut interaction, which can set tone levels for some engine configurations. Initial mappings of rotor wake-vortex flow fields have provided a data base for a first generation semiempirical flow disturbance model. Laser velocimetry offers a nonintrusive method for validating and improving the model. Digital data systems and signal processing algorithms are bringing mode measurement closer to a working tool that can be frequently applied to a real machine such as a turbofan engine. On the analytical side, models of most of the links in the chain from turbomachine blade source to far field observation point have been formulated. Three dimensional lifting surface theory for blade rows, including source noncompactness and cascade effects, blade row transmission models incorporating mode and frequency scattering, and modal radiation calculations, including hybrid numerical-analytical approaches, are tools which await further application.

Groeneweg, John F.↗
NASA NTRS1988

Intermolecular potential for thermal H2O-He collisions

Theoretical potentials for rotational excitation of H2O by He were constructed via several methods, all of which start with a large basis set SCF interaction. The semiempirical Hartree-Fock with damped dispersion model adds a damped long-range attraction with parameters adjusted to fit experimental total differential cross sections. Purely ab initio potentials add correlation energies obtained via perturbation theory (MP2 and MP4) or a variational method (ICF1). Scattering calculations were performed on all surfaces to compare wih available beam scattering and pressure broadening data and to assess sensitivity of state-to-state rates to uncertainties in the potential. From comparison with the limited experimental data, the ICF1 surface appears to be marginally better than the MP4 surface. Thermal rates calculated from this surface should be accurate to better than 50 percent, at least for the larger, more important rates.

Palma, Amedeo↗
NASA NTRS1983

Flare loop radiative hydrodynamics. III - Nonlocal radiative transfer effects

The study has three goals. The first is to demonstrate that processes exist whose intrinsic nonlocal nature cannot be represented by local approximations. The second is to elucidate the physical nature and origins of these nonlocal processes. The third is to suggest that the methods and results described here may prove useful in constructing semiempirical models of the chromosphere by means more efficient than trial and error. Matrices are computed that describe the effect of a temperature perturbation at an arbitrary point in the loop on density, hydrogen ionized fraction, total radiative loss rate, and radiative loss rate of selected hydrogen lines and continua at all other points. It is found that the dominant nonlocal radiative transfer effects can be separated into flux divergence coefficient effects and upper level population effects. The former are most important when the perturbation takes place in a region of significant opacity. Upper level population effects arise in both optically thick and thin regions in response to nonlocal density, ionization, and interlocking effects.

Canfield, R. C.↗
NASA NTRS2001

Rotor Broadband Noise Prediction with Comparison to Model Data

This paper reports an analysis and prediction development of rotor broadband noise. The two primary components of this noise are Blade-Wake Interaction (BWI) noise, due to the blades' interaction with the turbulent wakes of the preceding blades, and "Self" noise, due to the development and shedding of turbulence within the blades' boundary layers. Emphasized in this report is the new code development for Self noise. The analysis and validation employs data from the HART program, a model BO-105 rotor wind tunnel test conducted in the German-Dutch Wind Tunnel (DNW). The BWI noise predictions are based on measured pressure response coherence functions using cross-spectral methods. The Self noise predictions are based on previously reported semiempirical modeling of Self noise obtained from isolated airfoil sections and the use of CAMRAD.Modl to define rotor performance and local blade segment flow conditions. Both BWI and Self noise from individual blade segments are Doppler shifted and summed at the observer positions. Prediction comparisons with measurements show good agreement for a range of rotor operating conditions from climb to steep descent. The broadband noise predictions, along with those of harmonic and impulsive Blade-Vortex Interaction (BVI) noise predictions, demonstrate a significant advance in predictive capability for main rotor noise.

Brooks, Thomas F.↗
NASA NTRS1972

Analytical investigation of conical diffusers

A study was made to determine if existing data for straight-channel single-plane divergence diffusers together with boundary-layer methods could be practically employed to predict conical diffuser performance in the high-speed flow regime. A semiempirical correlation technique, which uses the experimental performance of a straight-channel single-plane divergence diffuser, and a momentum integral boundary-layer method were employed to predict conical diffuser performance. Neither of these methods is applicable when the boundary layer separates. The momentum integral method was used to study the relative importance of various boundary layer parameters in correlating unstalled diffuser performance. Other investigators have found that the best diffuser performance occurs when the diffuser is operating in the transitory stall regime. Since the analytical methods presented in this report are not applicable after the point of boundary-layer separation, a criterion was established from examination of experimental tests which allows the designer to ascertain approximate diffuser performance in the transitory stall regime.

Means, J. L.↗
NASA NTRS1977

The line blanketing and structure of the atmosphere of Arcturus

Model atmospheres for the K2 III star Arcturus (alpha Boo), calculated with various representations of the atomic and molecular opacity, are compared with the observed flux distribution and a published semiempirical temperature structure. A model computed with the opacity-sampling method and with an effective temperature of 4250 K and a surface gravity of 50 cm/sec per sec matches well, while models with other representations of the opacity produce distinctly worse fits. The effective temperature is well determined at 4250 + or - 100 K.

Johnson, H. R.↗
NASA NTRS1990

Bearingless rotor aeromechanical stability measurements and correlations using nonlinear aerodynamics

The aeromechanical stability of a 1/8th Froude scaled bearingless rotor model was investigated experimentally in a wind tunnel. Both shaft-fixed and shaft-free conditions were examined to study the aeroelastic stability of a bearingless rotor without the incorporation of auxiliary dampers. This wind tunnel investigation generated a set of stability data for four different advance ratios, and a wide range of collective pitch settings. Theoretical analysis was performed using the newly developed University of Maryland Advanced Rotorcraft Code (UMARC). For analysis, the blade is modeled as an elastic beam undergoing flap bending, lag bending, elastic twist, and axial deformation. Blade response is calculated using a finite element method in time. Nonlinear aerodynamic effects are included by using a semiempirical stall modeling. The linearized periodic rotor perturbation equations in the nonrotating frame are solved for stability roots using Floquet transition matrix theory, as well as constant coefficient approximation. The predicted results are compared with the experimental data.

Wang, James M.↗
NASA NTRS1992

Helicopter noise prediction - The current status and future direction

The paper takes stock of the progress, assesses the current prediction capabilities, and forecasts the direction of future helicopter noise prediction research. The acoustic analogy approach, specifically, theories based on the Ffowcs Williams-Hawkings equations, are the most widely used for deterministic noise sources. Thickness and loading noise can be routinely predicted given good plane motion and blade loading inputs. Blade-vortex interaction noise can also be predicted well with measured input data, but prediction of airloads with the high spatial and temporal resolution required for BVI is still difficult. Current semiempirical broadband noise predictions are useful and reasonably accurate. New prediction methods based on a Kirchhoff formula and direct computation appear to be very promising, but are currently very demanding computationally.

Brentner, Kenneth S.↗
NASA NTRS1974

Photographic quantification of water quality in mixing zones

The waste effluent mixing zone is defined as the extent of a receiving water body utilized to dilute a waste charge to a concentration characteristic of a totally mixed condition. Color IR photography was used in conjunction with suspended solids water samples to quantitatively delineate the mixing zone resulting from the discharge of a paper mill effluent. Digital scanning microdensitometer data were used to estimate and delineate suspended solids concentrations on the basis of a semiempirical model. Model background, development, and implementation are described. Results indicate that the method is as reliable as conventional surface measuring techniques and is, in fact, more detailed. The method has direct application to the establishment of water quality guidelines, the development of both governmental and private sampling and surveillance programs, and the development of design and location criteria for industrial and municipal waste effluent outfalls.

Lillesand, T. M.↗
NASA NTRS1975

Supercritical wing sections II: A handbook

The numerical aspect of theoretical work on transonics and supercritical wing sections are compiled. A model of the trailing edge is introduced which eliminates the loss of 15 to 20 percent experienced with heavily aft-loaded models, and it is indicated how drag creep can be reduced at off-design conditions. A rotated finite difference scheme is presented which can handle supersonic as well as subsonic free stream Mach numbers and leads to an effective three-dimensional program for the computation of transonic flow past an oblique wing. In the case of two-dimensional flow, the method is extended to take into account the displacement thickness computed by a semiempirical turbulent boundary layer correction. A series of supercritical wing sections is discussed together with comparisons between experimental and theoretical data. Computer programs and a brief manual for their operation are listed. It is shown that the programs furnish a physically adequate computer simulation of the compressible flows that arise in problems of transonic aerodynamics.

Bauer, F.↗