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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1998

Track Structure Model for Radial Distributions of Electron Spectra and Event Spectra from High-Energy Ions

An analytic method is described for evaluating the average radial electron spectrum and the radial and total frequency-event spectrum for high-energy ions. For high-energy ions, indirect events make important contributions to frequency-event spectra. The method used for evaluating indirect events is to fold the radial electron spectrum with measured frequency-event spectrum for photons or electrons. The contribution from direct events is treated using a spatially restricted linear energy transfer (LET). We find that high-energy heavy ions have a significantly reduced frequency-averaged final energy (yF) compared to LET, while relativistic protons have a significantly increased yF and dose-averaged lineal energy (yD) for typical site sizes used in tissue equivalent proportional counters. Such differences represent important factors in evaluating event spectra with laboratory beams, in space- flight, or in atmospheric radiation studies and in validation of radiation transport codes. The inadequacy of LET as descriptor because of deviations in values of physical quantities, such as track width, secondary electron spectrum, and yD for ions of identical LET is also discussed.

Cucinotta, F. A.↗
NASA NTRS1986

Practical method for highly accurate large-scale surface calculations

An accurate and efficient film linearized muffin-tin orbital (FLMTO) technique for surface electronic-structure calculations is presented which uses only 60-70 basis functions, as opposed to the 300 functions used in the linear augmented plane-wave method. Calculations for three different (3d and 4d) transition-metal films resulted in high quality results for five-layer slabs of Cu(001), Fe(001), and Ru(001), in addition to good results for the work functions and projected density of states. By retaining the LMTO small basis size, computer time and memory are reduced, making practical the study of systems with a larger number of atoms in the two-dimensional unit cell.

Fernando, G. W.↗
NASA NTRS1988

Growth of diamond by RF plasma-assisted chemical vapor deposition

A system has been designed and constructed to produce diamond particles by inductively coupled radio-frequency, plasma-assisted chemical vapor deposition. This is a low-pressure, low-temperature process used in an attempt to deposit diamond on substrates of glass, quartz, silicon, nickel, and boron nitride. Several deposition parameters have been varied including substrate temperature, gas concentration, gas pressure, total gas flow rate, RF input power, and deposition time. Analytical methods employed to determine composition and structure of the deposits include scanning electron microscopy, absorption spectroscopy, scanning Auger microprobe spectroscopy, and Raman spectroscopy. Analysis indicates that particles having a thin graphite surface, as well as diamond particles with no surface coatings, have been deposited. Deposits on quartz have exhibited optical bandgaps as high as 4.5 eV. Scanning electron microscopy analysis shows that particles are deposited on a pedestal which Auger spectroscopy indicates to be graphite. This is a phenomenon that has not been previously reported in the literature.

Meyer, Duane E.↗
NASA NTRS2001

Soot Formation in Laminar Premixed Ethylene/Air Flames at Atmospheric Pressure

Soot formation was studied within laminar premixed ethylene/air flames (C/O ratios of 0.78-0.98) stabilized on a flat-flame burner operating at atmospheric pressure. Measurements included soot volume fractions by both laser extinction and gravimetric methods, temperatures by multiline emission, soot structure by thermophoretic sampling and transmission electron microscopy, major gas species concentrations by sampling and gas chromatography, concentrations of condensable hydrocarbons by gravimetric sampling. and velocities by laser velocimetry. These data were used to find soot surface growth rates and primary soot particle nucleation rates along the axes of the flames. Present measurements of soot surface growth rates were correlated successfully by predictions based on typical hydrogen-abstraction/carbon-addition (HACA) mechanisms of Frenklach and co-workers and Colket and Hall. These results suavest that reduced soot surface growth rates with increasing residence time seen in the present and other similar flames were mainly caused by reduced rates of surface activation due to reduced H atom concentrations as temperatures decrease as a result of radiative heat losses. Primary soot particle nucleation rates exhibited variations with temperature and acetylene concentrations that were similar to recent observations for diffusion flames; however, nucleation rates in the premixed flames were significantly lower than in, the diffusion flames for reasons that still must be explained. Finally, predictions of yields of major gas species based on mechanisms from both Frenklach and co-workers and Leung and Lindstedt were in good agreement with present measurements and suggest that H atom concentrations (relevant to HACA mechanisms) approximate estimates based on local thermodynamic equilibrium in the present flames.

Xu, F.↗
NASA NTRS1989

Theory of wide-angle photometry from standard stars

Wide angle celestial structures, such as bright comet tails and nearby galaxies and clusters of galaxies, rely on photographic methods for quantified morphology and photometry, primarily because electronic devices with comparable resolution and sky coverage are beyond current technological capability. The problem of the photometry of extended structures and of how this problem may be overcome through calibration by photometric standard stars is examined. The perfect properties of the ideal field of view are stated in the guise of a radiometric paraxial approximation, in the hope that fields of view of actual telescopes will conform. Fundamental radiometric concepts are worked through before the issue of atmospheric attenuation is addressed. The independence of observed atmospheric extinction and surface brightness leads off the quest for formal solutions to the problem of surface photometry. Methods and problems of solution are discussed. The spectre is confronted in the spirit of standard stars and shown to be chimerical in that light, provided certain rituals are adopted. After a brief discussion of Baker-Sampson polynomials and the vexing issue of saturation, a pursuit is made of actual numbers to be expected in real cases. While the numbers crunched are gathered ex nihilo, they demonstrate the feasibility of Newton's method in the solution of this overdetermined, nonlinear, least square, multiparametric, photometric problem.

Usher, Peter D.↗
NASA NTRS2011

Initiating Molecular Growth in the Interstellar Medium via Dimeric Complexes of Observed Ions and Molecules

A feasible initiation step for particle growth in the interstellar medium (ISM) is simulated by means of ab quantum chemistry methods. The systems studied are dimer ions formed by pairing nitrogen containing small molecules known to exist in the ISM with ions of unsaturated hydrocarbons or vice versa. Complexation energies, structures of ensuing complexes and electronic excitation spectra of the encounter complexes are estimated using various quantum chemistry methods. Moller-Plesset perturbation theory (MP2, Z-averaged perturbation theory (ZAP2), coupled cluster singles and doubles with perturbative triples corrections (CCSD(T)), and density functional theory (DFT) methods (B3LYP) were employed along with the correlation consistent cc-pVTZ and aug-cc-pVTZ basis sets. Two types of complexes are predicted. One type of complex has electrostatic binding with moderate (7-20 kcal per mol) binding energies, that are nonetheless significantly stronger than typical van der Waals interactions between molecules of this size. The other type of complex develops strong covalent bonds between the fragments. Cyclic isomers of the nitrogen containing complexes are produced very easily by ion-molecule reactions. Some of these complexes show intense ultraviolet visible spectra for electronic transitions with large oscillator strengths at the B3LYP, omegaB97, and equations of motion coupled cluster (EOM-CCSD) levels. The open shell nitrogen containing carbonaceous complexes especially exhibit a large oscillator strength electronic transition in the visible region of the electromagnetic spectrum.

Bera, Partha P.↗
NASA NTRS2014

Electron Beam Freeform Fabrication of Titanium Alloy Gradient Structures

Historically, the structural optimization of aerospace components has been done through geometric methods. A monolithic material is chosen based on the best compromise between the competing design limiting criteria. Then the structure is geometrically optimized to give the best overall performance using the single material chosen. Functionally graded materials offer the potential to further improve structural efficiency by allowing the material composition and/or microstructural features to spatially vary within a single structure. Thus, local properties could be tailored to the local design limiting criteria. Additive manufacturing techniques enable the fabrication of such graded materials and structures. This paper presents the results of a graded material study using two titanium alloys processed using electron beam freeform fabrication, an additive manufacturing process. The results show that the two alloys uniformly mix at various ratios and the resultant static tensile properties of the mixed alloys behave according to rule-of-mixtures. Additionally, the crack growth behavior across an abrupt change from one alloy to the other shows no discontinuity and the crack smoothly transitions from one crack growth regime into another.

Brice, Craig A.↗
NASA NTRS1979

Minute tubular forms in soil

Large numbers of long, straight, flattened structures were observed during an electron-microscope study of bacteriophage in aqueous extracts. These structures were called tubules and ranged in width from 10 to 50 nm. Materials and methods were discussed relative to extraction of tubules from soil, electron microscopy, quantitation of tubules in filtrate suspension, tests performed on tubules, plaque formation, and nutrient amendments. It is found that all of the tubules recovered from soil are broken at one or both ends. They are present in surface soils but not in a subsurface sample. Their numbers decrease during bacterial multiplication in soil or broth-containing soil. The tubules appear to be composed of protein that could be disintegrated to liberate nonprotein fibers. A possible clue to the nature of the tubules is their apparent relation to soil bacteria.

Casida, L. E., Jr.↗
NASA NTRS1989

Characterization of quantum well structures using a photocathode electron microscope

Present day integrated circuits pose a challenge to conventional electronic and mechanical test methods. Feature sizes in the submicron and nanometric regime require radical approaches in order to facilitate electrical contact to circuits and devices being tested. In addition, microwave operating frequencies require careful attention to distributed effects when considering the electrical signal paths within and external to the device under test. An alternative testing approach which combines the best of electrical and optical time domain testing is presented, namely photocathode electron microscope quantitative voltage contrast (PEMQVC).

Spencer, Michael G.↗
NASA NTRS1986

Sensitivity analysis of discrete structural systems

Methods for calculating sensitivity derivatives for discrete structural systems are surveyed, primarily covering literature published during the past two decades. Methods are described for calculating derivatives of static displacements and stresses, eigenvalues and eigenvectors, transient structural response, and derivatives of optimum structural designs with respect to problem parameters. The survey is focused on publications developed in nonstructural fields such as electronics, controls, and physical chemistry which are directly applicable to structural problems. Most notable among the nonstructural-based methods are the adjoint variable technique from control theory, and the Green's function and FAST methods from physical chemistry.

Adelman, H. M.↗
NASA NTRS1998

X-Ray Diffraction Analysis of NLO Crystals: Traditional Applications and More New Opportunities

Single crystal X-ray diffraction analysis is one of the more important methods for the molecular and crystal structure determination of matter and therefore it has a great importance in material science including design and engineering of different compounds with non-linear optical (NLO) properties. It was shown in our previous publications that this method provides unique information about molecular structure of NLO compounds, their crystal symmetry and crystal packing arrays, molecular conformation and geometries and many other structural and electronic characteristics that are important for understanding the nature of NLO properties of solids. A very new application of the X-ray diffraction method is related to analysis of the electron density distribution p(r) in crystals and some of its characteristics (atomic and group charges, dipole and higher multipole moments, etc.), that may be obtained directly form the diffraction measurements. In the present work, we will discuss our preliminary low temperature high-resolution X-ray data for the m-nitroaniline (mNA) single crystal (VI). This is one of the "classical" organic NLO materials and electron density distribution analysis in this simple compound has a great scientific interest.

Antipin, Mikhail Yu.↗
NASA NTRS1975

Aluminum under high pressure: 1 equation of state

A curve of applied pressure P versus lattice constant a is calculated for single crystal aluminum. It results from an application of the method of structural expansions for deriving the energies of simple metals, a method known to give reasonable results for the elastic constants even at second order in the effective electron-ion interaction. The method is taken from Fermi surface analysis . This essentially experimental information is used to verify that the extant face-centered cubic structure remains the preferred crystalline phase up to the highest pressures considered. Arguments are given to suggest that the P versus a curve should have reasonable a priori accuracy, which may be improved if experimental data in the intermediate pressure region can be provided to refine the energy dependent pseudo-potential. At 3 megabars the lattice constant is reduced by only 22%; the ion cores at this pressure are still very well separated.

Friedli, C.↗
NASA NTRS1985

Rocket measurements of mesospheric ionization irregularities

The Langmuir probe technique for measurement of electron concentration in the mesosphere is capable of excellent altitude resolution, of order 1 m. Measurements from nine daytime rocket flights carrying an electron density fine structure experiment frequently show small scale ionization structures in the altitude region 70 to 90 km. The irregularities are believed to be the result of turbulent advection of ions and electrons. The fine structure experiment flown by the University of Illinois is described and methods of analyzing the collected data is presented. Theories of homogeneous, isotropic turbulence are reviewed. Power spectra of the measured irregularities are calculated and compared to spectra predicted by turbulence theories.

Stoltzfus, R. B.↗