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Results for “lattice parameters”

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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Transmission Electron Microscope Measures Lattice Parameters

Convergent-beam microdiffraction (CBM) in thermionic-emission transmission electron microscope (TEM) is technique for measuring lattice parameters of nanometer-sized specimens of crystalline materials. Lattice parameters determined by use of CBM accurate to within few parts in thousand. Technique developed especially for use in quantifying lattice parameters, and thus strains, in epitaxial mismatched-crystal-lattice multilayer structures in multiple-quantum-well and other advanced semiconductor electronic devices. Ability to determine strains in indivdual layers contributes to understanding of novel electronic behaviors of devices.

Pike, William T.↗
NASA NTRS2002

Application of Powder Diffraction Methods to the Analysis of the Atomic Structure of Nanocrystals: The Concept of the Apparent Lattice Parameter (ALP)

The applicability of standard methods of elaboration of powder diffraction data for determination of the structure of nano-size crystallites is analysed. Based on our theoretical calculations of powder diffraction data we show, that the assumption of the infinite crystal lattice for nanocrystals smaller than 20 nm in size is not justified. Application of conventional tools developed for elaboration of powder diffraction data, like the Rietveld method, may lead to erroneous interpretation of the experimental results. An alternate evaluation of diffraction data of nanoparticles, based on the so-called 'apparent lattice parameter' (alp) is introduced. We assume a model of nanocrystal having a grain core with well-defined crystal structure, surrounded by a surface shell with the atomic structure similar to that of the core but being under a strain (compressive or tensile). The two structural components, the core and the shell, form essentially a composite crystal with interfering, inseparable diffraction properties. Because the structure of such a nanocrystal is not uniform, it defies the basic definitions of an unambiguous crystallographic phase. Consequently, a set of lattice parameters used for characterization of simple crystal phases is insufficient for a proper description of the complex structure of nanocrystals. We developed a method of evaluation of powder diffraction data of nanocrystals, which refers to a core-shell model and is based on the 'apparent lattice parameter' methodology. For a given diffraction pattem, the alp values are calculated for every individual Bragg reflection. For nanocrystals the alp values depend on the diffraction vector Q. By modeling different a0tomic structures of nanocrystals and calculating theoretically corresponding diffraction patterns using the Debye functions we showed, that alp-Q plots show characteristic shapes which can be used for evaluation of the atomic structure of the core-shell system. We show, that using a simple model of a nanocrystal with spherical shape and centro-symmetric strain at the surface shell we obtain theoretical alp-Q values which match very well the alp-Q plots determined experimentally for Sic, GaN, and diamond nanopowders. The theoretical models are defined by the lattice parameter of the grain core, thickness of the surface shell, and the magnitude and distribution of the strain field in the surface shell. According to our calculations, the part of the diffraction pattern measured at relatively low diffraction vectors Q (below 10/angstrom) provides information on the surface strain, whle determination of the lattice parameters in the grain core requires measurements at large Q-values (above 15 - 20/angstrom).

Palosz, B.↗
NASA NTRS2003

Application of Powder Diffraction Methods to the Analysis of Short- and Long-Range Atomic Order in Nanocrystalline Diamond and SiC: The Concept of the Apparent Lattice Parameter (alp)

Two methods of the analysis of powder diffraction patterns of diamond and SiC nanocrystals are presented: (a) examination of changes of the lattice parameters with diffraction vector Q ('apparent lattice parameter', alp) which refers to Bragg scattering, and (b), examination of changes of inter-atomic distances based on the analysis of the atomic Pair Distribution Function, PDF. Application of these methods was studied based on the theoretical diffraction patterns computed for models of nanocrystals having (i) a perfect crystal lattice, and (ii), a core-shell structure, i.e. constituting a two-phase system. The models are defined by the lattice parameter of the grain core, thickness of the surface shell, and the magnitude and distribution of the strain field in the shell. X-ray and neutron experimental diffraction data of nanocrystalline SiC and diamond powders of the grain diameter from 4 nm up to micrometers were used. The effects of the internal pressure and strain at the grain surface on the structure are discussed based on the experimentally determined dependence of the alp values on the Q-vector, and changes of the interatomic distances with the grain size determined experimentally by the atomic Pair Distribution Function (PDF) analysis. The experimental results lend a strong support to the concept of a two-phase, core and the surface shell structure of nanocrystalline diamond and SiC.

Palosz, B.↗
NASA NTRS1988

Lattice parameter variations during aging in nickel-base superalloys

The importance of the state of coherency on measurements of gamma/gamma-prime lattice mismatch has been experimentally demonstrated during aging at 1000 C of specimens of an alloy with composition Ni-(8.6)Cr-(5.3)Al-(10.1)Co-(11.7)W-(1.2)Ti-(0.7)Mo (wt pct). Lattice parameter measurements are given as a function of aging time, and the corresponding sample microstructures are presented. The results show that changes of the two phases during aging did not influence the lattice parameter measurements, indicating that aging specimens to produce a semicoherent gamma/gamma-prime structure provides a good approximation of the true, unconstrained lattice mismatch.

Nathal, M. V.↗
NASA NTRS1992

Lattice parameters of fcc binary alloys using a new semiempirical method

A new semiempirical method has been developed to predict the concentration dependence of the heats of formation and lattice parameters of binary alloys consistent with equivalent crystal theory. This method accurately predicts the composition dependence of the lattice parameters both qualitatively and quantitatively. A simple formulation is provided of the algorithm for performing defect calculations.

Bozzolo, Guillermo↗
NASA NTRS1987

Microhardness and lattice parameter calibrations of the oxygen solid solutions of unalloyed alpha-titanium and Ti-6Al-2Sn-4Zr-2Mo

Standards were prepared for calibrating microanalyses of dissolved oxygen in unalloyed alpha-Ti and Ti-6Al-2Sn-4Zr-2Mo. Foils of both of these materials were homogenized for 120 hours in vacuum at 871 C following short exposures to the ambient atmosphere at 854 C that had partially oxidized the foils. The variation of Knoop microhardness with oxygen content was calibrated for both materials using 15-g and 5-g indentor loads. The unit-cell lattice parameters were calibrated for the unalloyed alpha-Ti. Example analyses demonstrate the usefulness of these calibrations and support an explanation of an anomaly in the lattice parameter variation. The results of the calibrations have been tabulated and summarized using predictive equations.

Wiedemann, K. E.↗
NASA NTRS1997

The Effects of Composition and gamma'/gamma Lattice Parameter Mismatch on the Critical Resolved Shear Stresses for Octahedral and Cube Slip in NiAlCrX Alloys

Prototypical single-crystal NiAlCrX superalloys were studied to examine the effects of the common major alloying elements, Co, Mo, Nb, Ta, Ti, and W, on yielding behavior. The alloys contained about 10 at. pct Cr, 60 vol pct of the gamma' phase, and about 3 at. pct of X in the gamma'. The critical resolved shear stresses (CRSSs) for octahedral and primary cube slip were measured at 760 C, which is about the peak strength temperature. The CRSS(sub oct) and CRSS(sub cube) are discussed in relation to those of Ni, (Al, X) gamma' alloys taken from the literature and the gamma'/gamma lattice mismatch. The CRSS(sub oct) of the gamma + gamma' alloys reflected a similar compositional dependence to that of both the CRSS(sub cube) of the gamma' phase and the gamma'/gamma lattice parameter mismatch. The CRSS(sub cube) of the gamma + gamma' alloys also reflected the compositional dependence of the gamma'/gamma mismatch, but bore no similarity to that of CRSS(sub cube) for gamma' alloys since it is controlled by the gamma matrix. The ratio of CRSS(sub cube)/CRSS(sub oct) was decreased by all alloying elements except Co, which increased the ratio. The decrease in CRSS(sub cube)/CRSS(sub oct) was related to the degree in which elements partition to the gamma' rather than the gamma phase.

Miner, R. V.↗
NASA NTRS1971

Composition stability limits for the rocksalt-structure phase /Pb1-y Sny/1-xTex from lattice parameter measurements.

The parameter values measured are in agreement with those reported by Mazelsky and Lubell (1963) and data of Bis and Dixon (1969). The measurements for SnTe introduce a large amount of data into a defect model analysis that shows that the ratio of the number of holes per tin-vacancy acceptor to the 77 K Hall factor is independent of the apparent hole concentration. The measurements reveal some interesting problems in handling the Sn-rich alloys in fine powder form due to the uptake of oxygen.

Brebrick, R. F.↗
NASA NTRS2003

The Traps of using Conventional Methodology of Evaluation of Powder Diffractograms for Determination of the Lattice Parameters of Nanocrystals

Inherent errors introduced by the algorithm of standard procedures of evaluation of powder diffractograms when applied for nanopowders are shown. The implications of the errors are discussed in connection with some results reported in the literature. Alternate methodology of evaluation of powder diffractograms of nanocrystals is presented.

Curreri, Peter A.↗