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DOE OSTI2015

Theory of the electronic structure of substitutional semiconductor alloys: Analytical approaches

Methods of predicting the electronic structure of disordered semiconductor alloys involving mainly isoelectronic substitution are reviewed. Special emphasis is placed on analytical methods of studying currently available models of alloys. An approximate equation for the localization threshold of electronic states in the Lifshitz model is considered, and the inaccuracy of this equation is estimated. The contributions of the perturbation potential of an individual impurity and of crystal-lattice distortions in the vicinity of the impurity center are analyzed on the basis of the Faddeev equations. The contributions of intrinsic impurity potentials and volume effects to the formation of the electronic structure of semiconductor alloys are esti- mated. Methods of calculating matrix elements of the perturbation potentials of isoelectronic impurities in alloys with consideration for deformation effects are considered. The procedure of calculating the compositional dependence of the band gap of multicomponent alloys is described. A comparative analysis of various methods for predicting the formation of electronic states bound at individual isoelectronic impurities in semiconductors is conducted. The theory of the energy spectrum of charged impurities in isoelectronic alloys is presented.

36 MATERIALS SCIENCE↗

NASA NTRS2009

The Capillary Flow Experiments Aboard the International Space Station: Increments 9-15

This report provides a summary of the experimental, analytical, and numerical results of the Capillary Flow Experiment (CFE) performed aboard the International Space Station (ISS). The experiments were conducted in space beginning with Increment 9 through Increment 16, beginning August 2004 and ending December 2007. Both primary and extra science experiments were conducted during 19 operations performed by 7 astronauts including: M. Fincke, W. McArthur, J. Williams, S. Williams, M. Lopez-Alegria, C. Anderson, and P. Whitson. CFE consists of 6 approximately 1 to 2 kg handheld experiment units designed to investigate a selection of capillary phenomena of fundamental and applied importance, such as large length scale contact line dynamics (CFE-Contact Line), critical wetting in discontinuous structures (CFE-Vane Gap), and capillary flows and passive phase separations in complex containers (CFE-Interior Corner Flow). Highly quantitative video from the simply performed flight experiments provide data helpful in benchmarking numerical methods, confirming theoretical models, and guiding new model development. In an extensive executive summary, a brief history of the experiment is reviewed before introducing the science investigated. A selection of experimental results and comparisons with both analytic and numerical predictions is given. The subsequent chapters provide additional details of the experimental and analytical methods developed and employed. These include current presentations of the state of the data reduction which we anticipate will continue throughout the year and culminate in several more publications. An extensive appendix is used to provide support material such as an experiment history, dissemination items to date (CFE publication, etc.), detailed design drawings, and crew procedures. Despite the simple nature of the experiments and procedures, many of the experimental results may be practically employed to enhance the design of spacecraft engineering systems involving capillary interface dynamics.

Jenson, Ryan M.↗

NASA NTRS1972

Chilldown study of the single stage inducer test rig

Of the six chilldown tests, data from only one could be used for evaluation. During the rest of the chilldown tests, there was leakage hydrogen flow into the pump cavity prior to the initiation of the chilldown test. In all of the tests the hydrogen condition into the pump was probably 100% vapor. The data from this one test, therefore, can be used to compare only the single phase fluid correlation in the analytical pump chilldown model. In general, the actual pump chilled down much faster than predicted by the analytical pump model. There were insufficient data from the test to measure the pump flow rate and pump inlet fluid condition; therefore, these parameters were extrapolated based on related data which were available. However, even with the highest probable flow rate, the pump chilled faster than predicted.

Kimura, L. A.↗

NASA NTRS2015

Comparison of Analysis with Test for Static Loading of Two Hypersonic Inflatable Aerodynamic Decelerator Concepts

Acceptance of new spacecraft structural architectures and concepts requires validated design methods to minimize the expense involved with technology demonstration via flight-testing. Hypersonic Inflatable Aerodynamic Decelerator (HIAD) architectures are attractive for spacecraft deceleration because they are lightweight, store compactly, and utilize the atmosphere to decelerate a spacecraft during entry. However, designers are hesitant to include these inflatable approaches for large payloads or spacecraft because of the lack of flight validation. This publication summarizes results comparing analytical results with test data for two concepts subjected to representative entry, static loading. The level of agreement and ability to predict the load distribution is considered sufficient to enable analytical predictions to be used in the design process.

Lyle, Karen H.↗

DOE OSTI2024

Chemical detection system with at least one electronic nose

A system for predicting one or more analytes based on outputs from thin film gas sensors is provided. The system may comprise an electronic nose (e-nose). The e-nose may comprise the gas sensors and a first processor. The system may further comprise a second processor. The second processor may be configured to receive the output from each of the gas sensors, evaluate a prediction accuracy using an evaluation parameter of each of a plurality of models which are trained and tested and select a model from among the plurality of models to deploy based on a comparison of the evaluation parameter for each of the plurality of models and use the same. The second processor may also receive, an output of each of the gas sensors caused by unknown one or more analytes; and predict, using the deployed model, the one or more analytes that causes the output.

Ivanov, Ilia N.↗

NASA NTRS2026

Assessment of Near-Angle Scatter on Exo-Earth Coronagraphy

Near-Angle Scatter (NAS) of the host star’s light into the coronagraph dark hole may limit the ability of a potential Habitable Worlds Observatory (HWO) to detect and characterize an Earth-like planet around a Sun-like star. This paper summarizes a 5-year investigation of the impact of NAS on high-contrast coronagraphy. Science requirements were flowed down to a draft flux ratio noise ratio (FRN) error budget with allocations for NAS. The modeled sources of NAS include correlated (low and mid-spatial) surface structure, uncorrelated surface microroughness and coating structure, particulate contamination, micrometeoroid impacts and polarization leakage. The paper develops specifications for these sources of scattered light that meet their FRN error budget allocations, distinguishing between scatter that can and cannot be modulated. The development process utilizes an analytical expression that predicts scatter throughput into the dark hole based on BRDF/BSDF. Using this relationship, Photon Engineering performed a FRED® straylight analysis of the HWO EAC-1 (Exploratory Analytical Case #1) coronagraph to parametrically study predicted scattered light contrast in the dark hole. The model revealed that primary mirror microroughness or contamination is not a significant source of scattered light; the most critical surfaces are the smallest and those located closest to the coronagraph focal plane mask. The assessment found that uncorrelated microstructure, contamination, and micrometeoroid impacts require more investigation and potential significant sources of unmodulated scattered light, and highlights that slow thermal wavefront drift is an order of magnitude more impactful than fast mechanical jitter.

coronagraphy↗

NASA NTRS1993

Development and use of computational techniques in Army Aviation research and development programs for crash resistant helicopter technology

During the 1960's over 30 full-scale aircraft crash tests were conducted by the Flight Safety Foundation under contract to the Aviation Applied Technology Directorate (AATD) of the U.S. Army Aviation Systems Command (AVSCOM). The purpose of these tests were to conduct crash injury investigations that would provide a basis for the formulation of sound crash resistance design criteria for light fixed-wing and rotary wing aircraft. This resulted in the Crash Survival Design Criteria Designer's Guide which was first published in 1967 and has been revised numerous times, the last being in 1989. Full-scale aircraft crash testing is an expensive way to investigate structural deformations of occupied spaces and to determine the decelerative loadings experienced by occupants in a crash. This gave initial impetus to the U.S. Army to develop analytical methods to predict the dynamic response of aircraft structures in a crash. It was believed that such analytical tools could be very useful in the preliminary design stage of a new helicopter system which is required to demonstrate a level of crash resistance and had to be more cost effective than full-scale crash tests or numerous component design support tests. From an economic point of view, it is more efficient to optimize for the incorporation of crash resistance features early in the design stage. However, during preliminary design it is doubtful if sufficient design details, which influence the exact plastic deformation shape of structural elements, will be available. The availability of simple procedures to predict energy absorption and load-deformation characteristics will allow the designer to initiate valuable cost, weight, and geometry tradeoff studies. The development of these procedures will require some testing of typical specimens. This testing should, as a minimum, verify the validity of proposed procedures for providing pertinent nonlinear load-deformation data. It was hoped that through the use of these analytical models, the designer could optimize aircraft design for crash resistance from both a weight and cost increment standpoint, thus enhancing the acceptance of the design criteria for crash resistance.

Burrows, Leroy T.↗

NASA NTRS1994

Micromechanics Analysis Code (MAC) User Guide: Version 1.0

The ability to accurately predict the thermomechanical deformation response of advanced composite materials continues to play an important role in the development of these strategic materials. Analytical models that predict the effective behavior of composites are used not only by engineers performing structural analysis of large-scale composite components but also by material scientists in developing new material systems. For an analytical model to fulfill these two distinct functions it must be based on a micromechanics approach which utilizes physically based deformation and life constitutive models and allows one to generate the average (macro) response of a composite material given the properties of the individual constituents and their geometric arrangement. Here the user guide for the recently developed, computationally efficient and comprehensive micromechanics analysis code, MAC, who's predictive capability rests entirely upon the fully analytical generalized method of cells, GMC, micromechanics model is described. MAC is a versatile form of research software that 'drives' the double or triple ply periodic micromechanics constitutive models based upon GMC. MAC enhances the basic capabilities of GMC by providing a modular framework wherein (1) various thermal, mechanical (stress or strain control), and thermomechanical load histories can be imposed; (2) different integration algorithms may be selected; (3) a variety of constituent constitutive models may be utilized and/or implemented; and (4) a variety of fiber architectures may be easily accessed through their corresponding representative volume elements.

Wilt, T. E.↗

NASA NTRS1999

Micromechanics Analysis Code With Generalized Method of Cells (MAC/GMC): User Guide

The ability to accurately predict the thermomechanical deformation response of advanced composite materials continues to play an important role in the development of these strategic materials. Analytical models that predict the effective behavior of composites are used not only by engineers performing structural analysis of large-scale composite components but also by material scientists in developing new material systems. For an analytical model to fulfill these two distinct functions it must be based on a micromechanics approach which utilizes physically based deformation and life constitutive models and allows one to generate the average (macro) response of a composite material given the properties of the individual constituents and their geometric arrangement. Here the user guide for the recently developed, computationally efficient and comprehensive micromechanics analysis code, MAC, who's predictive capability rests entirely upon the fully analytical generalized method of cells, GMC, micromechanics model is described. MAC/ GMC is a versatile form of research software that "drives" the double or triply periodic micromechanics constitutive models based upon GMC. MAC/GMC enhances the basic capabilities of GMC by providing a modular framework wherein 1) various thermal, mechanical (stress or strain control) and thermomechanical load histories can be imposed, 2) different integration algorithms may be selected, 3) a variety of material constitutive models (both deformation and life) may be utilized and/or implemented, and 4) a variety of fiber architectures (both unidirectional, laminate and woven) may be easily accessed through their corresponding representative volume elements contained within the supplied library of RVEs or input directly by the user, and 5) graphical post processing of the macro and/or micro field quantities is made available.

Arnold, S. M.↗

NASA NTRS1996

Micromechanics Analysis Code (MAC). User Guide: Version 2.0

The ability to accurately predict the thermomechanical deformation response of advanced composite materials continues to play an important role in the development of these strategic materials. Analytical models that predict the effective behavior of composites are used not only by engineers performing structural analysis of large-scale composite components but also by material scientists in developing new material systems. For an analytical model to fulfill these two distinct functions it must be based on a micromechanics approach which utilizes physically based deformation and life constitutive models and allows one to generate the average (macro) response of a composite material given the properties of the individual constituents and their geometric arrangement. Here the user guide for the recently developed, computationally efficient and comprehensive micromechanics analysis code's (MAC) who's predictive capability rests entirely upon the fully analytical generalized method of cells (GMC), micromechanics model is described. MAC is a versatile form of research software that 'drives' the double or triply periodic micromechanics constitutive models based upon GMC. MAC enhances the basic capabilities of GMC by providing a modular framework wherein (1) various thermal, mechanical (stress or strain control) and thermomechanical load histories can be imposed, (2) different integration algorithms may be selected, (3) a variety of constituent constitutive models may be utilized and/or implemented, and (4) a variety of fiber and laminate architectures may be easily accessed through their corresponding representative volume elements.

Wilt, T. E.↗

NASA NTRS1984

Simulation and analysis of airborne antenna radiation patterns

The objective is to develop an accurate and efficient analytic solution for predicting high frequency radiation patterns of fuselage-mounted airborne antennas. This is an analytic study of airborne antenna patterns using the Uniform Geometrical Theory of Diffraction (UTD). The aircraft is modeled in its most basic form so that the solution is applicable to general-type aircraft. The fuselage is modeled as a perfectly conducting composite ellipsoid; whereas, the wings, stabilizers, nose, fuel tanks, and engines, are simulated as perfectly conducting flat plates that can be attached to the fuselage and/or to each other. The composite-ellipsoid fuselage model is necessary to successfully simulate the wide variety of real world fuselage shapes. Since the antenna is mounted on the fuselage, it has a dominant effect on the resulting radiation pattern so it must be simulated accurately, especially near the antenna. Various radiation patterns are calculated for commercial, private, and military aircraft, and the Space Shuttle Orbiter. The application of this solution to numerous practical airborne antenna problems illustrates its versatility and design capability. In most cases, the solution accuracy is verified by the comparisons between the calculated and measured data.

Kim, J. J.↗

NASA NTRS1987

Mechanical response of unidirectional boron/aluminum under combined loading

Three test methods were employed to characterize the response of unidirectional Boron/Aluminum metal matrix composite material under monotonic and cyclic loading conditions, namely, losipescu shear, off-axis tension and compression. The characterization of the elastic and plastic response includes the elastic material properties, yielding and subsequent hardening of the unidirectional composite under different stress ratios in the material principal coordinate system. Yield loci generated for different stress ratios are compared for the three different test methods, taking into account residual stresses and specimen geometry. Subsequently, the yield locus for in-plane shear is compared with the prediction of an analytical, micromechanical model. The influence of the scatter in the experimental data on the predicted yield surface is also analyzed. Lastly, the experimental material strengths in tension and compression are correlated with the maximum stress and the Tsai-Wu failure criterion.

Becker, Wolfgang↗

NASA NTRS1988

On wind-type flows in astrophysical jets. III - Temporal evolution of perturbations and the formation of shocks

The temporal evolution of disturbances in a spherically symmetric polytropic wind from a central object is studied. Such disturbances may be due to localized momentum addition/subtraction, as, for example, by MHD waves, heating/cooling mechanisms in the outflow, or localized deviations from spherical symmetric expansion. The evolution of an initial perturbed state to a continuous or discontinuous final equilibrium state, as predicted by previous analytic calculations for stationary flows, is followed. It is shown that some of the predicted discontinuous equilibrium states are not physically accessible, while the attainment of the remaining equilibrium states depends on both the temporal and the spatial parameters characterizing the perturbation. The results are derived for solar conditions, but in fact can be applied to outflows in other astrophysical systems. In particular, applications to the solar wind and flows in astrophysical jets are discussed.

Trussoni, E.↗

NASA NTRS1982

Benchmark notch test for life prediction

Aircraft gas turbine engine components are subjected to severe stress, temperature, and environmental conditions. Economic and reliabilty demands have prompted inordinate effort in development of analytic methods to predict stresses and strains in aircraft engines. There remains, however, the need to check or verify these analytical methodologies against actual experimental data measurements. The laser interferometric strain displacement gage was recognized as having the potential to accomplish this task and was employed in this program. The actual strains incurred at the root of a discontinuity in cyclically loaded test samples subjected to inelastic deformation at high temperature where creep deformation readily occur were measured. The steady-state, cyclic stress-strain response at the root of the discontinuity in the tested samples was analyzed for comparison with the measured results. A comprehensive set of local notch root strain measurements for a variety of load patterns in an Inconel 718 notch specimen at 649 C (1200 F) was obtained and documented using the laser interferometric strain displacement gage.

Domas, P. A.↗

DOE OSTI2019

Prediction of hydrogen adsorption in nanoporous materials from the energy distribution of adsorption sites

We present a fast and accurate, semi-analytical method for predicting hydrogen adsorption in nanoporous materials. For any temperature and pressure, the adsorbed amount is calculated as an integral over the energy density of adsorption sites (guest-host interactions) plus an average guest-guest term. The guest-host interaction energy is calculated using a classical force field with hydrogen modelled as a single-site probe. The guest-guest interaction energy is approximated using an average coordination number, which is regressed using Gaussian Process Regression (GPR). Local adsorption at each site is then modelled using a Langmuir isotherm, which when weighted with its probability density gives an accurate description of hydrogen adsorption. The method is tested on 933 metal-organic frameworks (MOFs) from the Computation-Ready Experimental (CoRE) MOF database at 77 K from 10 –5 to 100 bar, and the results are compared against GCMC predictions. To demonstrate the utility of the method, we calculated hydrogen adsorption isotherms for 12,914 existing MOF structures, at two different temperatures at a speed about 100 times that of GCMC simulations and analyzed the results. Here, we found 13 MOFs with predicted deliverable capacities exceeding the DOE target of 50 g/L for adsorption at 100 bar, 77 K and desorption at 5 bar, 160 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1991

Ongoing development of a computer jobstream to predict helicopter main rotor performance in icing conditions

Work is currently underway at the NASA Lewis Research Center to develop an analytical method for predicting the performance degradation of a helicopter operating in icing conditions. A brief survey is performed of possibilities available to perform such a calculation along with the reasons for choosing the present approach. A complete description of the proposed jobstream is given as well as a discussion of the present state of the development.

Britton, Randall K.↗

NASA NTRS1991

Ongoing development of a computer jobstream to predict helicopter main rotor performance in icing conditions

Britton, Randall K.↗

NASA NTRS1976

Nonlinear slender wing aerodynamics

On present day high performance aircraft, a large portion of the lift is generated by leading edge vortices generated by flow separation off the highly swept leading edges of the lifting surfaces employed. It has been shown in an earlier paper how the vortex effects can be superimposed on a modified slender wing theory to give the unsteady longitudinal characteristics of sharp-edged delta wings up to very high angles of attack. The present paper extends the previous analysis to include the effects of leading edge roundness and trailing edge sweep on the aerodynamic characteristics. The paper also derives analytic means for prediction of the yaw stability of slender wings and the first order effects of Mach number. Universal scaling laws are defined for rapid preliminary design estimates of the slender wing lift and rolling moment. The results indicate that simple analytic tools can be developed to predict the aeroelastic characteristics of the space shuttle ascent configuration with its complicated flow field and aeroelastic cross-couplings.

Ericsson, L. E.↗