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Sample records for compressed fcc crystals

  1. Vacancy behavior in a compressed fcc Lennard-Jones crystal

    SciTech Connect

    Beeler, J.R. Jr.

    1981-12-01

    This computer experiment study concerns the determination of the stable vacancy configuration in a compressed fcc Lennard-Jones crystal and the migration of this defect in a compressed crystal. Isotropic and uniaxial compression stress conditions were studied. The isotropic and uniaxial compression magnitudes employed were 0.94 less than or equal to eta less than or equal to 1.5, and 1.0 less than or equal to eta less than or equal to 1.5, respectively. The site-centered vacancy (SCV) was the stable vacancy configuration whenever cubic symmetry was present. This includes all of the isotropic compression cases and the particular uniaxial compression case (eta = ..sqrt..2) that give a bcc structure. In addition, the SCV was the stable configuration for uniaxial compression eta < 1.29. The out-of-plane split vacancy (SV-OP) was the stable vacancy configuration for uniaxial compression 1.29 < eta less than or equal to 1.5 and was the saddle-point configuration for SCV migration when the SCV was the stable form. For eta > 1.20, the SV-OP is an extended defect and, therefore, a saddle point for SV-OP migration could not be determined. The mechanism for the transformation from the SCV to the SV-OP as the stable form at eta = 1.29 appears to be an alternating sign (101) and/or (011) shear process.

  2. Development of Misorientation in FCC Single Crystals Under Compression at Different Scales

    NASA Astrophysics Data System (ADS)

    Lychagin, D. V.; Alfyorova, E. A.; Soprunov, D. V.

    2016-08-01

    This article presents analysis of FCC single crystals local areas reorientation under compression. The reorientation process was examined at different scales, from sample size scale to that of dislocation substructure. It has been found that disorientation in meso and macro levels is determined by accumulation of misorientation at the level of dislocation subsystem. Our research allows quantifying of accumulated misorientation magnitude. The results of this study illustrate interrelation of rotational and translational deformation modes both at the same scale level and various scale levels.

  3. Nucleation of hcp and fcc phases in bcc iron under uniform compression: classical molecular dynamics simulations.

    PubMed

    Wang, B T; Shao, J L; Zhang, G C; Li, W D; Zhang, P

    2010-11-03

    By classical molecular dynamics simulations employing an embedded atom method potential, we have simulated the bcc to hcp/fcc structural transition in single-crystal iron under uniform compression. Results showed that the transition pressure is different from uniaxial compression and shock loading. The transformation occurs on a picosecond timescale and the transition time decreases along with the increase of pressure. The nucleation and growth of the hcp and fcc phases under constant pressure and temperature are analyzed in detail. The nucleation planes, all belonging to the {110}(bcc) family and parallel to the three compression directions [100], [010], and [001], have been observed. About 20% bcc atoms have transformed to fcc phase under pressure just over the critical point, and under higher pressure the fraction of the fcc phase increases steadily to exceed that of the hcp phase. We have investigated the transition mechanism of iron from initial bcc to hcp/fcc and found that the transition mainly consists of compression, rotation, and shuffle.

  4. Theoretical analysis of the channel die compression test—II. First- and second-order analysis of orientation [110] [00 overline1] [ overline110] in F.C.C. crystals

    NASA Astrophysics Data System (ADS)

    Havner, K. S.; Sue, P. L.

    I NTHIS paper we present a general formulation of the analysis of the channel die compression test for single crystals, to second order in the applied compressive load increment. Specific first- and second-order analyses of f.c.c. crystals in orientation [110] [00 overline1] [ overline110] are carried out for the same four hardening rules considered in S UE and H AVNER (1984). These are Taylor hardening, a 2-parameter empirical rule, the "simple theory" (H AVNER and S HALBY, 1977), and a modification of the simple theory introduced by P EIRCE, A SARO and N EEDLEMAN (1982). In particular, we address the analysis of lattice rotation about the loading axis for each of these theories. Such rotation was a prominent feature of the deformation of a copper crystal in this orientation in experiments by W ONSIEWICZ and C HIN (1970). We establish that all theories permit this rotation consistent with the first- and second-order channel die constraints. Regarding the issue of lattice stability, a fundamental difference between the present orientation and those analyzed in S UE and H AVNER (1984) is uncovered and discussed. We close with a strong recommendation for a new series of channel die experiments.

  5. Phase-field-crystal model for fcc ordering.

    PubMed

    Wu, Kuo-An; Adland, Ari; Karma, Alain

    2010-06-01

    We develop and analyze a two-mode phase-field-crystal model to describe fcc ordering. The model is formulated by coupling two different sets of crystal density waves corresponding to <111> and <200> reciprocal lattice vectors, which are chosen to form triads so as to produce a simple free-energy landscape with coexistence of crystal and liquid phases. The feasibility of the approach is demonstrated with numerical examples of polycrystalline and (111) twin growth. We use a two-mode amplitude expansion to characterize analytically the free-energy landscape of the model, identifying parameter ranges where fcc is stable or metastable with respect to bcc. In addition, we derive analytical expressions for the elastic constants for both fcc and bcc. Those expressions show that a nonvanishing amplitude of [200] density waves is essential to obtain mechanically stable fcc crystals with a nonvanishing tetragonal shear modulus (C11-C12)/2. We determine the model parameters for specific materials by fitting the peak liquid structure factor properties and solid-density wave amplitudes following the approach developed for bcc [K.-A. Wu and A. Karma, Phys. Rev. B 76, 184107 (2007)]. This procedure yields reasonable predictions of elastic constants for both bcc Fe and fcc Ni using input parameters from molecular dynamics simulations. The application of the model to two-dimensional square lattices is also briefly examined.

  6. Molecular dynamics simulations of hcp/fcc nucleation and growth in bcc iron driven by uniaxial compression.

    PubMed

    Wang, B T; Shao, J L; Zhang, G C; Li, W D; Zhang, P

    2009-12-02

    Molecular dynamics simulations have been performed to study the structural transition in bcc iron under uniaxial strain loading. We found that the transition pressures are less dependent on the crystal orientations, ∼14 GPa for [001], [011], and [111] loadings. However, the pressure interval of a mixed phase for [011] loading is much shorter than loading along other orientations. In addition, the temperature increased amplitude for [001] loading is evidently lower than other orientations. The nucleation and growth of the hcp/fcc phases, and their crystal orientation dependence, were analyzed in detail, where the atom structure was presented by the topological medium-range-order analysis. For [001] compression, the hcp structure occurs first and grows into a laminar morphology in the (011)(bcc) plane with some fcc atoms as an intermediate structure. For loading along [011] and [111] directions, both hcp and fcc structure nucleation and growth along the {110}(bcc) planes are observed; their morphology is also discussed.

  7. Atomistically-informed Dislocation Dynamics in fcc Crystals

    SciTech Connect

    Martinez, E; Marian, J; Arsenlis, T; Victoria, M; Perlado, J M

    2006-09-06

    We develop a nodal dislocation dynamics (DD) model to simulate plastic processes in fcc crystals. The model explicitly accounts for all slip systems and Burgers vectors observed in fcc systems, including stacking faults and partial dislocations. We derive simple conservation rules that describe all partial dislocation interactions rigorously and allow us to model and quantify cross-slip processes, the structure and strength of dislocation junctions and the formation of fcc-specific structures such as stacking fault tetrahedra. The DD framework is built upon isotropic non-singular linear elasticity, and supports itself on information transmitted from the atomistic scale. In this fashion, connection between the meso and micro scales is attained self-consistently with core parameters fitted to atomistic data. We perform a series of targeted simulations to demonstrate the capabilities of the model, including dislocation reactions and dissociations and dislocation junction strength. Additionally we map the four-dimensional stress space relevant for cross-slip and relate our findings to the plastic behavior of monocrystalline fcc metals.

  8. Solution based synthesis of simple fcc Si nano-crystals under ambient conditions.

    PubMed

    Balcı, Mustafa H; Sæterli, Ragnhild; Maria, Jerome; Lindgren, Mikael; Holmestad, Randi; Grande, Tor; Einarsrud, Mari-Ann

    2013-02-28

    We demonstrate for the first time that simple face-centered cubic (fcc) silicon nano-crystals can be produced by a solution based bottom-up synthesis route under ambient conditions. Simple fcc Si nano-crystals (2-7 nm) were prepared at room temperature by using sodium cyclopentadienide as a reducing agent for silicon tetrachloride. Photoluminescence emission at 550 nm was observed for the fcc silicon nano-crystals upon excitation at 340 nm, indicating that fcc Si nano-crystals were exhibiting direct bandgap like semiconductor properties with very fast radiative recombination rates. The new synthesis route makes possible the production and study of simple fcc polymorphs of Si nano-crystals with an easy alteration of surface termination groups.

  9. Germanium FCC structure from a colloidal crystal template

    SciTech Connect

    Miguez, H.; Meseguer, F.; Lopez, C.; Holgado, M.; Andreasen, G.; Mifsud, A.; Fornes, V.

    2000-05-16

    Here, the authors show a method to fabricate a macroporous structure in which the pores, essentially identical, arrange regularly in a face-centered cubic (FCC) lattice. The result is a network of air spheres in a germanium medium. This structure presents the highest dielectric contrast ({epsilon}{sub Ge}/{epsilon}{sub air} = 16) ever achieved in the optical regime in such periodic structures, which could result in important applications in photonics. The authors employ solid silica colloidal crystals (opals) as templates within which a cyclic germanium growth process is carried out. Thus, the three-dimensional periodicity of the host is inherited by the guest. Afterward, the silica is removed and a germanium opal replica is obtained.

  10. Local elastic constants in thin films of an fcc crystal.

    PubMed

    van Workum, Kevin; de Pablo, Juan J

    2003-03-01

    In this work we present a formalism for the calculation of the local elastic constants in inhomogeneous systems based on a method of planes. Unlike previous work, this formalism does not require the partitioning of the system into a set of finite volumes over which average elastic constants are calculated. Results for the calculation of the local elastic constants of a nearest-neighbor Lennard-Jones fcc crystal in the bulk and in a thin film are presented. The local constants are calculated at exact planes of the (001) face of the crystal. The average elastic constants of the bulk system are also computed and are consistent with the local constants. Additionally we present the local stress profiles in the thin film when a small uniaxial strain is applied. The resulting stress profile compares favorably with the stress profile predicted via the local elastic constants. The surface melting of a model for argon for which experimental and simulation data are available is also studied within the framework of this formalism.

  11. Random hcp and fcc structures in thermoresponsive microgel crystals.

    PubMed

    Brijitta, J; Tata, B V R; Joshi, R G; Kaliyappan, T

    2009-08-21

    Monodisperse thermoresponsive poly(N-isopropylacrylamide) (PNIPAM) microgel particles having a diameter of 520 nm were synthesized by free-radical precipitation polymerization and centrifuged to obtain a concentrated suspension. The centrifuged mother suspension was made to self-order into a crystalline state by repeated annealing beyond the volume phase transition (VPT) of the particles. We report here the three-dimensional (3D) real space structure, determined using a confocal laser scanning microscope, of PNIPAM microgel crystal samples prepared by two different recrystallized routes: (1) solidifying a shear melted colloidal liquid (referred as as-prepared sample) and (2) slow cooling of a colloidal liquid (referred as recrystallized sample). We have recorded images of several regions of the crystal with each region containing 15 horizontal crystal planes for determining the in-plane [two-dimensional (2D)] and 3D pair-correlation functions. The 2D pair-correlation function g(r) revealed hexagonal long-range order of particles in the layers with a lattice constant of 620 nm. The analysis of stacking sequence of layers recorded on as-prepared sample has revealed the existence of stacking disorder with an average stacking probability alpha approximately 0.42. This value of alpha together with the analysis of 3D pair-correlation function determined from particle positions revealed the structure of microgel crystals in the as-prepared sample to be random hexagonal close packing. We report the first observation of a split second peak in the 3D g(r) of the microgel crystals obtained from a shear melted liquid. Upon melting the sample above VPT and recrystallizing it the split second peak disappeared and the crystals are found to have a face centered cubic (fcc) structure with alpha approximately 0.95. From simulations, the split second peak is shown to arise from the displacement of some of the B-planes from the ideal hcp positions. The present results are discussed in

  12. Response of FCC and BCC Metals to High-Amplitude Dynamic Compression

    NASA Astrophysics Data System (ADS)

    Meyers, Marc; Remington, Bruce; Maddox, Brian; Bringa, Eduardo; Park, Hye-Sook; Lu, Chia-Hui

    2013-06-01

    The experimentally observed response of FCC and BCC metals to high-amplitude compressive waves is compared with analytical predictions using constitutive models based on dislocations and twinning and with molecular dynamics simulations. In FCC metals (Cu and Ni), the predictions of dislocation densities from a homogeneous nucleation model are close to those of molecular dynamics simulations. Both are orders of magnitude higher than experimentally observed residual dislocation densities. MD calculations predict a drastic decrease in dislocation densities upon unloading, bringing the values in agreement with measurements. For BCC metals (Ta), on the residual densities are close to predictions of Orowan dislocation multiplication. Due to the much higher Peierls-Nabarro stress, the MD simulations predict much lower dislocation densities than in FCC metals subjected to similar pressures. At higher amplitudes, both FCC and BCC metals experience extensive twinning. The threshold pressure for twinning is successfully modeled by constitutive model based on a critical shear stress for twinning, at the imposed strain rate and temperature. Research funded by UCOP/UC Labs Program.

  13. Preparation and characterization of Co single-crystal thin films with hcp, fcc and bcc structures

    SciTech Connect

    Ohtake, Mitsuru; Yabuhara, Osamu; Higuchi, Jumpei; Futamoto, Masaaki

    2011-04-01

    Co crystals with three different structures are realized in the form of single-crystal thin films hetero-epitaxially grown on single-crystal substrates by ultrahigh vacuum rf magnetron sputtering. hcp-, fcc-, and bcc-Co single-crystal films are formed on Cr(211){sub bcc}, Cu(100){sub fcc}, and GaAs(110){sub B3}, respectively. The film growth process is studied by RHEED, and the lattice constants of these Co films are determined by x-ray diffraction. The magnetization properties of these thin films are reflecting the magnetocrystalline anisotropies of Co crystals with the easy magnetization axes along hcp<0001>, fcc<111>, and bcc<100> directions.

  14. Kinetics study of crystallization with the disorder-bcc-fcc phase transition of charged colloidal dispersions.

    PubMed

    Zhou, Hongwei; Xu, Shenghua; Sun, Zhiwei; Du, Xuan; Liu, Lixia

    2011-06-21

    Structure transformation (disorder-bcc-fcc) in charged colloidal dispersions, as a manifestation of the Ostwald's step rule, was confirmed by means of reflection spectrum (RS) measurements in our previous study. By taking advantage of a reflection spectrum containing plenty of information about the crystallization behaviors, time-dependent changes of parameters associated with the crystal structure and composition during the disorder-bcc-fcc transition are reported by treating the data from RS in this article. In addition, Avrami's model is adopted to analyze the transition process and investigate the transition rate. On the basis of the above investigations, associated kinetic features of crystallization with the disorder-bcc-fcc transition are described.

  15. Microstructurally Based Cross-slip Mechanisms and Their Effects on Dislocation Microstructure Evolution in fcc Crystals

    DTIC Science & Technology

    2015-01-01

    nickel microcrystals, Acta Mater. 56 (13) (2008) 2008. [58] G Makov P Landau , R Z Shneck, A. Venkert, Evolution of dislocation patterns in fcc metals, IOP...orientation: I. disloca- tion arrangement and cell structure of crystals deformed in tension, Philos. Mag. 28 (1973) 1057–1976. [61] P. Landau , R.Z. Shneck

  16. Multilayer Relaxation and Surface Energies of FCC and BCC Metals Using Equivalent Crystal Theory

    NASA Technical Reports Server (NTRS)

    Rodriguez, Agustin M.; Bozzolo, Guillermo; Ferrante, John

    1993-01-01

    The multilayer relaxation of fcc and bcc metal surfaces is calculated using equivalent crystal theory. The results for changes in interplanar spacings of planes close to the surface and the ensuing surface energies are discussed in reference to other theoretical results and compared to available experimental data. The calculation includes high-index surfaces for which no other theoretical results are known.

  17. Subsurface Stress Fields in FCC Single Crystal Anisotropic Contacts

    NASA Technical Reports Server (NTRS)

    Arakere, Nagaraj K.; Knudsen, Erik; Swanson, Gregory R.; Duke, Gregory; Ham-Battista, Gilda

    2004-01-01

    Single crystal superalloy turbine blades used in high pressure turbomachinery are subject to conditions of high temperature, triaxial steady and alternating stresses, fretting stresses in the blade attachment and damper contact locations, and exposure to high-pressure hydrogen. The blades are also subjected to extreme variations in temperature during start-up and shutdown transients. The most prevalent high cycle fatigue (HCF) failure modes observed in these blades during operation include crystallographic crack initiation/propagation on octahedral planes, and non-crystallographic initiation with crystallographic growth. Numerous cases of crack initiation and crack propagation at the blade leading edge tip, blade attachment regions, and damper contact locations have been documented. Understanding crack initiation/propagation under mixed-mode loading conditions is critical for establishing a systematic procedure for evaluating HCF life of single crystal turbine blades. This paper presents analytical and numerical techniques for evaluating two and three dimensional subsurface stress fields in anisotropic contacts. The subsurface stress results are required for evaluating contact fatigue life at damper contacts and dovetail attachment regions in single crystal nickel-base superalloy turbine blades. An analytical procedure is presented for evaluating the subsurface stresses in the elastic half-space, based on the adaptation of a stress function method outlined by Lekhnitskii. Numerical results are presented for cylindrical and spherical anisotropic contacts, using finite element analysis (FEA). Effects of crystal orientation on stress response and fatigue life are examined. Obtaining accurate subsurface stress results for anisotropic single crystal contact problems require extremely refined three-dimensional (3-D) finite element grids, especially in the edge of contact region. Obtaining resolved shear stresses (RSS) on the principal slip planes also involves

  18. Dynamic stability of fcc crystals under isotropic loading from first principles.

    PubMed

    Rehák, Petr; Cerný, Miroslav; Pokluda, Jaroslav

    2012-05-30

    Lattice dynamics and stability of four fcc crystals (Al, Ir, Pt and Au) under isotropic (hydrostatic) tensile loading are studied from first principles using the linear response method and the harmonic approximation. The results reveal that, contrary to former expectations, strengths of all the studied crystals are limited by instabilities related to soft phonons with finite or vanishing wavevectors. The critical strains associated with such instabilities are remarkably lower than those related to the volumetric instability. On the other hand, the corresponding reduction of the tensile strength is by 20% at the most. An analysis of elastic stability conditions is also performed and the results obtained by means of both approaches are compared.

  19. Elastic properties of compressed rare-gas crystals in a model of deformable atoms

    NASA Astrophysics Data System (ADS)

    Gorbenko, Ie. Ie.; Troitskaya, E. P.; Pilipenko, E. A.

    2017-01-01

    The elastic properties of compressed Ne, Ar, Kr, and Xe rare-gas crystals were studied in a model of deformable and polarizable atoms. The second-order Fuchs elasticity moduli, their pressure derivatives, and the Zener elastic anisotropy ratio were calculated with allowance for three-body interaction and quadrupole deformation in electron shells within a wide pressure range. Comparison with the experiment and results of other authors was performed. In xenon at a compression of 0.6, the shear modulus B 44 was observed to become zero, thus corresponding to the FCC-HCP transition at 75 GPa.

  20. Geometry explains the large difference in the elastic properties of fcc and hcp crystals of hard spheres.

    PubMed

    Sushko, Nazar; van der Schoot, Paul

    2005-12-01

    As is well known, hard-sphere crystals of the fcc and hcp type differ very little in their thermodynamic properties. Nonetheless, recent computer simulations by Pronk and Frenkel indicate that the elastic response to mechanical deformation of these two types of crystal are quite different [S. Pronk and D. Frenkel, Phys. Rev. Lett. 90, 255501 (2003)]. By invoking a geometrical argument put forward by Martin some time ago [R. M. Martin, Phys. Rev. B 6, 4546 (1972)], we suggest that this is largely due to the different symmetries of the fcc and hcp crystal structures. Indeed, we find that elastic constants of the fcc hard-sphere crystal can be mapped onto the equivalent ones of the hcp crystal to very high accuracy, as a comparison with the computer simulation data of Pronk and Frenkel shows. The same procedure applied to density functional theoretical predictions for the elastic properties of the fcc hard-sphere crystal also produces remarkably accurate predictions for those of the hcp hard-sphere crystal.

  1. Universal relationships for the phonon spectra in BCC, FCC, and HCP crystals with a short-range interatomic interaction

    SciTech Connect

    Vaks, V. G. Zhuravlev, I. A.; Zabolotskii, A. D.

    2012-03-15

    The frequencies of the phonon branches that correspond to the vibrations of the close-packed atomic planes in bcc, fcc, and hcp crystals with short-range interatomic interaction are shown to be described by a universal relationship, which only contains two parameters for each branch, for any polarization {lambda}. These phonon branches correspond to the ({xi}, {xi}, 0) direction in bcc crystals, the ({xi}, {xi}, {xi}) direction in fcc crystals, and the (0, 0, {xi}) direction in hcp crystals. This universal relationship can only be violated by long-range interactions, namely, the interactions outside the sixth coordination shell in a bcc crystal, the fifth coordination shell in an fcc crystal, and the eleventh or tenth coordination shell in an hcp crystal. The effect of these long-range interactions for each phonon branch can be quantitatively characterized by certain parameters {Delta}{sub n{lambda}}, which are simply expressed in terms of the frequencies of three phonons of the branch. The values of these parameters are presented for all bcc, fcc, and hcp metals whose phonon spectra are measured. In most cases, the proposed relationships for the frequencies are found to be fulfilled accurate to several percent. In the cases where the {Delta}{sub n{lambda}} parameters are not small, they can give substantial information on the type and scale of long-range interaction effects in various metals.

  2. Identifying self-interstitials of bcc and fcc crystals in molecular dynamics

    NASA Astrophysics Data System (ADS)

    Bukkuru, S.; Bhardwaj, U.; Warrier, M.; Rao, A. D. P.; Valsakumar, M. C.

    2017-02-01

    Identification of self-interstitials in molecular dynamics (MD) simulations is of critical importance. There exist several criteria for identifying the self-interstitial. Most of the existing methods use an assumed cut-off value for the displacement of an atom from its lattice position to identify the self-interstitial. The results obtained are affected by the chosen cut-off value. Moreover, these chosen cut-off values are independent of temperature. We have developed a novel unsupervised learning algorithm called Max-Space Clustering (MSC) to identify an appropriate cut-off value and its dependence on temperature. This method is compared with some widely used methods such as effective sphere (ES) method and nearest neighbor sphere (NNS) method. The cut-off radius obtained using our method shows a linear variation with temperature. The value of cut-off radius and its temperature dependence is derived for five bcc (Cr, Fe, Mo, Nb, W) and six fcc (Ag, Au, Cu, Ni, Pd, Pt) crystals. It is seen that the ratio of the cut-off values "r" to the lattice constant "a" lies between 0.23 and 0.3 at 300 K and this ratio is on an average smaller for the fcc crystals. Collision cascade simulations are carried out for Primary knock-on Atom (PKA) energies of 5 keV in Fe (at 300 K and 1000 K) and W (at 300 K and 2500 K) and the results are compared using the various methods.

  3. Flow-induced alignment of (100) fcc thin film colloidal crystals.

    PubMed

    Joy, Midhun; Muangnapoh, Tanyakorn; Snyder, Mark A; Gilchrist, James F

    2015-09-28

    The realization of structural diversity in colloidal crystals obtained by self-assembly techniques remains constrained by thermodynamic considerations and current limits on our ability to alter structure over large scales using imposed fields and confinement. In this work, a convective-based procedure to fabricate multi-layer colloidal crystal films with extensive square-like symmetry is enabled by periodic substrate motion imposed during the continuous assembly. The formation of film-spanning domains of (100) fcc symmetry as a result of added vibration is robust across a range of micron-scale monosized spherical colloidal suspensions (e.g., polystyrene, silica) as well as substrate surface chemistries (e.g., hydrophobic, hydrophilic). The generation of extensive single crystalline (100) fcc domains as large as 15 mm(2) and covering nearly 40% of the colloidal crystalline film is possible by simply tuning coating conditions and multi-layer film thickness. Preferential orientation of the square-packed domains with respect to the direction of deposition is attributed to domain generation based upon a shear-related mechanism. Visualization during assembly gives clues toward the mechanism of this flow-driven self-assembly method.

  4. Surface energy and work function of fcc and bcc crystals: Density functional study

    NASA Astrophysics Data System (ADS)

    Wang, Jian; Wang, Shao-Qing

    2014-12-01

    The surface energies and work functions for six close-packed surfaces of 19 common fcc and bcc metals in the periodic table have been systematically calculated by means of the density functional theory (DFT) method. The accuracy of the results is established in comparison with the experimental and other theoretical values. The variations of work functions with the surface crystallographic orientation display a good regularity. For alkali metals, the work functions follow the sequence Φ(110) > Φ(133) > Φ(311) > Φ(120) > Φ(100) > Φ(111). But for the same crystal structure of bcc transition metals (Nb, Mo, Ta, W), the order is Φ(110) > Φ(133) > Φ(120) > Φ(111) > Φ(311) > Φ(100). The work functions for 3d, 4d and 5d transition fcc metals also display an obvious regularity and ordered as Φ(111) > Φ(100) > Φ(211) > Φ(123) > Φ(310) > Φ(110). Particular attention is paid to the surface energies anisotropy with the same crystal structure metals and the variations present a good regularity, too. Especially, a roughly inverse proportional relationship between the surface energy and work function is found.

  5. Fcc r arrow bct phase transition in Th at extreme compressions: Theory

    SciTech Connect

    Eriksson, O. ); Soederlind, P. ); Wills, J.M. )

    1992-06-01

    The experimentally observed fcc{r arrow}bct crystallographic phase transition in Th, at {similar to}1 Mbar, is reproduced by means of full-potential, linear-muffin-tin-orbitals calculations. Both the calculated volume and pressure for which the transition occurs, agrees with the experimental data. The calculated pressure dependence of the {ital c}/{ital a} ratio of the bct structure is also in good agreement wtih experimental data. Calculations for La predict the fcc phase to be stable over the bct phase up to {similar to}7 Mbar.

  6. Quantum calculation of disordered length in fcc single crystals using channelling techniques

    NASA Astrophysics Data System (ADS)

    Abu-Assy, M. K.

    2006-04-01

    Lattices of face-centred cubic crystals (fcc), due to irradiation processes, may become disordered in stable configurations like the dumb-bell configuration (DBC) or body-centred interstitial (BCI). In this work, a quantum mechanical treatment for the calculation of transmission coefficients of channelled positrons from their bound states in the normal lattice regions into the allowed bound states in the disordered regions is given as a function of the length of the disordered regions. In order to obtain more reliable results, higher anharmonic terms in the planar channelling potential are considered in the calculations by using first-order perturbation theory where new bound states have been found. The calculations were executed in the energy range 10 200 MeV of the incident positron on a copper single crystal in the planar direction (100).

  7. Size effects on plasticity and fatigue microstructure evolution in FCC single crystals

    NASA Astrophysics Data System (ADS)

    El-Awady, Jaafar Abbas

    In aircraft structures and engines, fatigue damage is manifest in the progressive emergence of distributed surface cracks near locations of high stress concentrations. At the present time, reliable methods for prediction of fatigue crack initiation are not available, because the phenomenon starts at the atomic scale. Initiation of fatigue cracks is associated with the formation of Persistent slip bands (PSBs), which start at certain critical conditions inside metals with specific microstructure dimensions. The main objective of this research is to develop predictive computational capabilities for plasticity and fatigue damage evolution in finite volumes. In that attempt, a dislocation dynamics model that incorporates the influence of free and internal interfaces on dislocation motion is presented. The model is based on a self-consistent formulation of 3-D Parametric Dislocation Dynamics (PDD) with the Boundary Element method (BEM) to describe dislocation motion, and hence microscopic plastic flow in finite volumes. The developed computer models are bench-marked by detailed comparisons with the experimental data, developed at the Wright-Patterson Air Force Lab (WP-AFRL), by three dimensional large scale simulations of compression loading on micro-scale samples of FCC single crystals. These simulation results provide an understanding of plastic deformation of micron-size single crystals. The plastic flow characteristics as well as the stress-strain behavior of simulated micropillars are shown to be in general agreement with experimental observations. New size scaling aspects of plastic flow and work-hardening are identified through the use of these simulations. The flow strength versus the diameter of the micropillar follows a power law with an exponent equal to -0.69. A stronger correlation is observed between the flow strength and the average length of activated dislocation sources. This relationship is again a power law, with an exponent -0.85. Simulation results

  8. Orientation dependence of the plastic slip near notches in ductile FCC single crystals

    NASA Astrophysics Data System (ADS)

    Crone, W. C.; Shield, T. W.; Creuziger, A.; Henneman, B.

    2004-01-01

    Results from experiments conducted on copper FCC single crystals are reported. Two symmetric crystallographic orientations and four nonsymmetric crystallographic orientations were tested. The slip line fields that form near a pre-existing notch in these specimens were observed. The changes in these patterns as the orientation of the notch in the crystal is rotated in an {101} plane are discussed. Sectors of similar slip line patterns are identified and the type of boundaries between these sectors are discussed. A type of sector boundary called mixed kink is identified. Specimen orientations that differ by 90° are found to have different slip line patterns, contrary to the predictions of perfectly plastic slip line theory. The locations of the first slip lines to form are compared to the predictions obtained using anisotropic linear elastic stress field solutions and the initial plane-strain yield surfaces. It is found that comparison of these surface slip line fields to plane strain crack tip solutions in the annular region between 350 and 750 μm is justified. The differences in anisotropic elastic solutions for orientations that are 90° apart explain the lack of agreement with perfectly plastic slip line theory.

  9. Single-crystal adsorption calorimetry and density functional theory of CO chemisorption on fcc Co{110}.

    PubMed

    Liao, Kristine; Fiorin, Vittorio; Gunn, David S D; Jenkins, Stephen J; King, David A

    2013-03-21

    Using single-crystal adsorption calorimetry (SCAC) and density functional theory (DFT), the interaction of carbon monoxide on fcc Co{110} is reported for the first time. The results indicate that adsorption is consistent with molecular chemisorption at all coverages. The initial heat of adsorption of 140 kJ mol(-1) is found in the range of heat values calorimetrically measured on other ferromagnetic metal surfaces, such as nickel and iron. DFT adsorption energies are in good agreement with the experimental results, and comparison between SCAC and DFT for CO on other ferromagnetic surfaces is made. The calculated dissociation barrier of 2.03 eV implies that dissociation at 300 K is unlikely even at the lowest coverage. At high coverages during the adsorption-desorption steady state regime, a pre-exponential factor for CO desorption of 1.2 × 10(17) s(-1) is found, implying a localised molecular adsorbed state prior to desorption in contrast to what we found with Ni surfaces. This result highlights the importance of the choice of the pre-exponential factor in evaluating the activation energy for desorption.

  10. Crystal-momentum dispersion of ultrafast spin change in fcc Co.

    PubMed

    Si, M S; Li, J Y; Yang, D Z; Xue, D S; Zhang, G P

    2014-05-23

    Nearly twenty years ago, Beaurepaire and coworkers showed that when an ultrafast laser impinges on a ferromagnet, its spin moment undergoes a dramatic change, but how it works remains a mystery. While the current experiment is still unable to resolve the minute details of the spin change, crystal momentum-resolved techniques have long been used to analyze the charge dynamics in superconductors and strongly correlated materials. Here we extend it to probe spin moment change in the entire three-dimensional Brillouin zone for fcc Co. Our results indeed show a strong spin activity along the Δ line, supporting a prior experimental finding. The spin active pockets coalesce into a series of spin surfaces that follow the Fermi surfaces. We predict two largest spin change pockets which have been elusive to experiments: one pocket is slightly below the Δ line and the other is along the Λ line and close to the L point. Our theory presents an opportunity for the time-, spin- and momentum-resolve photoemission technique.

  11. Theory and practice of “shape spectroscopy” of local FCC structures in computer simulations of nucleation and crystallization

    NASA Astrophysics Data System (ADS)

    Mitus, A. C.; Smolej, F.; Hahn, H.; Patashinski, A. Z.

    1996-02-01

    Starting from the previously developed probabilistic method for recognition of structures of small clusters of atoms undergoing thermal fluctuations, we derive simple algorithms for the very detailed study of local face-centered-cubic (FCC) arrangements of the atoms, directly in a configuration of atoms when it is being simulated. This includes (i) an algorithm for a local identification of FCC-like clusters, with the discussion of its reliability, and (ii) an algorithm for the calculation of the relative orientational correlations between the clusters. As an illustration, the method is used for studying nucleation and growth of an FCC phase in a rapidly quenched melt of 4000 Lennard-Jones atoms. On the basis of this analysis, we propose two trial hypotheses about (i) the existence of “slow” and “quick” regimes during the nucleation and growth and (ii) that in the intermediate stages of nucleation and crystallization the FCC-like local order appears rather in two-, than in three-dimensional aggregates.

  12. Investigation of Three-Dimensional Stress Fields and Slip Systems for FCC Single Crystal Superalloy Notched Specimens

    NASA Technical Reports Server (NTRS)

    Arakere, Nagaraj K.; Magnan, Shannon; Ebrahimi, Fereshteh; Ferroro, Luis

    2004-01-01

    Metals and their alloys, except for a few intermetallics, are inherently ductile, i.e. plastic deformation precedes fracture in these materials. Therefore, resistance to fracture is directly related to the development of the plastic zone at the crack tip. Recent studies indicate that the fracture toughness of single crystals depends on the crystallographic orientation of the notch as well as the loading direction. In general, the dependence of crack propagation resistance on crystallographic orientation arises from the anisotropy of (i) elastic constants, (ii) plastic deformation (or slip), and (iii) the weakest fracture planes (e.g. cleavage planes). Because of the triaxial stress state at the notch tips, many slip systems that otherwise would not be activated during uniaxial testing, become operational. The plastic zone formation in single crystals has been tackled theoretically by Rice and his co-workers and only limited experimental work has been conducted in this area. The study of the stresses and strains in the vicinity of a FCC single crystal notch tip is of relatively recent origin. We present experimental and numerical investigation of 3D stress fields and evolution of slip sector boundaries near notches in FCC single crystal tension test specimens, and demonstrate that a 3D linear elastic finite element model that includes the effect of material anisotropy is shown to predict active slip planes and sectors accurately. The slip sector boundaries are shown to have complex curved shapes with several slip systems active simultaneously near the notch. Results are presented for surface and mid-plane of the specimens. The results demonstrate that accounting for 3D elastic anisotropy is very important for accurate prediction of slip activation near FCC single crystal notches loaded in tension. Results from the study will help establish guidelines for fatigue damage near single crystal notches.

  13. Fabrication of FCC-SiO{sub 2} colloidal crystals using the vertical convective self-assemble method

    SciTech Connect

    Castañeda-Uribe, O. A.; Salcedo-Reyes, J. C.; Méndez-Pinzón, H. A.; Pedroza-Rodríguez, A. M.

    2014-05-15

    In order to determine the optimal conditions for the growth of high-quality 250 nm-SiO{sub 2} colloidal crystals by the vertical convective self-assemble method, the Design of Experiments (DoE) methodology is applied. The influence of the evaporation temperature, the volume fraction, and the pH of the colloidal suspension is studied by means of an analysis of variance (ANOVA) in a 3{sup 3} factorial design. Characteristics of the stacking lattice of the resulting colloidal crystals are determined by scanning electron microscopy and angle-resolved transmittance spectroscopy. Quantitative results from the statistical test show that the temperature is the most critical factor influencing the quality of the colloidal crystal, obtaining highly ordered structures with FCC stacking lattice at a growth temperature of 40°C.

  14. Cascaded photonic crystal fibers for three-stage soliton compression.

    PubMed

    Li, Qian; Cheng, Zihao

    2016-11-01

    Cascaded higher-order soliton compression in photonic crystal fibers (PCFs) is demonstrated, where both the hyperbolic secant and Gaussian input pulses are considered. Detailed fiber designs for three-stage higher-order soliton compression where soliton order is three or non-integer are presented. A highest compression factor of 221.32 has been achieved with only 49.48% pedestal energy.

  15. Nonlinear femtosecond pulse compression in cholesteric liquid crystals (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Liu, Yikun; Zhou, Jianying; Lin, Tsung-Hsien; Khoo, Iam-Choon

    2016-09-01

    Liquid crystals materials have the advantage of having a large nonlinear coefficient, but the response time is slow, normally up to several minisecond. This makes it is hard to apply in ultra fast optical devices. Recently, fentosecond (fs) nonlinear effect in choleteric liquid crystals is reported, nonlinear coefficient in the scale of 10-12 cm2/W is achieved. Base on this effect, in this work, fentosecond pulse compression technique in a miniature choleteric liquid crystal is demonstrated1,2. Cholesteric liquid crystals (CLC) is a kind of 1-dimensional phontonic structure with helical periodic. In a 10 μm thick CLC, femtosecond pulse with 100 fs is compressed to about 50 fs. CLC sample in planar texture with 500μm thick cell gap is further fabricated. In this sample, femtosecond pulse with 847 fs can be compressed to 286 fs. Due to the strong dispersion at the edge of photonic band gap, femtosecond pulse stretching and compensation can be achieve. In this experiment, laser pulse with duration 90 fs is stretched to above 2 picosecond in the first CLC sample and re-compressed to 120 fs in the second sample. Such technique might be applied in chirp pulse amplification. In conclusion, we report ultra fast nonlinear effect in cholesteric liquid crystals. Due to the strong dispersion and nonlinearity of CLC, femtosecond pulse manipulating devices can be achieved in the scale of micrometer.

  16. The evolution of machining-induced surface of single-crystal FCC copper via nanoindentation

    PubMed Central

    2013-01-01

    The physical properties of the machining-induced new surface depend on the performance of the initial defect surface and deformed layer in the subsurface of the bulk material. In this paper, three-dimensional molecular dynamics simulations of nanoindentation are preformed on the single-point diamond turning surface of single-crystal copper comparing with that of pristine single-crystal face-centered cubic copper. The simulation results indicate that the nucleation of dislocations in the nanoindentation test on the machining-induced surface and pristine single-crystal copper is different. The dislocation embryos are gradually developed from the sites of homogeneous random nucleation around the indenter in the pristine single-crystal specimen, while the dislocation embryos derived from the vacancy-related defects are distributed in the damage layer of the subsurface beneath the machining-induced surface. The results show that the hardness of the machining-induced surface is softer than that of pristine single-crystal copper. Then, the nanocutting simulations are performed along different crystal orientations on the same crystal surface. It is shown that the crystal orientation directly influences the dislocation formation and distribution of the machining-induced surface. The crystal orientation of nanocutting is further verified to affect both residual defect generations and their propagation directions which are important in assessing the change of mechanical properties, such as hardness and Young's modulus, after nanocutting process. PMID:23641932

  17. Temperature Dependence of the Mechanical Properties of Equiatomic Solid Solution Alloys with FCC Crystal Structures

    DOE PAGES

    Wu, Zhenggang; Bei, Hongbin; Pharr, George M.; ...

    2014-10-03

    We found that compared to decades-old theories of strengthening in dilute solid solutions, the mechanical behavior of concentrated solid solutions is relatively poorly understood. A special subset of these materials includes alloys in which the constituent elements are present in equal atomic proportions, including the high-entropy alloys of recent interest. A unique characteristic of equiatomic alloys is the absence of “solvent” and “solute” atoms, resulting in a breakdown of the textbook picture of dislocations moving through a solvent lattice and encountering discrete solute obstacles. Likewise, to clarify the mechanical behavior of this interesting new class of materials, we investigate heremore » a family of equiatomic binary, ternary and quaternary alloys based on the elements Fe, Ni, Co, Cr and Mn that were previously shown to be single-phase face-centered cubic (fcc) solid solutions. The alloys were arc-melted, drop-cast, homogenized, cold-rolled and recrystallized to produce equiaxed microstructures with comparable grain sizes. Tensile tests were performed at an engineering strain rate of 10-3 s-1 at temperatures in the range 77–673 K. Unalloyed fcc Ni was processed similarly and tested for comparison. The flow stresses depend to varying degrees on temperature, with some (e.g. NiCoCr, NiCoCrMn and FeNiCoCr) exhibiting yield and ultimate strengths that increase strongly with decreasing temperature, while others (e.g. NiCo and Ni) exhibit very weak temperature dependencies. Moreover, to better understand this behavior, the temperature dependencies of the yield strength and strain hardening were analyzed separately. Lattice friction appears to be the predominant component of the temperature-dependent yield stress, possibly because the Peierls barrier height decreases with increasing temperature due to a thermally induced increase of dislocation width. In the early stages of plastic flow (5–13% strain, depending on material), the temperature

  18. Temperature Dependence of the Mechanical Properties of Equiatomic Solid Solution Alloys with FCC Crystal Structures

    SciTech Connect

    Wu, Zhenggang; Bei, Hongbin; Pharr, George M.; George, Easo P.

    2014-10-03

    We found that compared to decades-old theories of strengthening in dilute solid solutions, the mechanical behavior of concentrated solid solutions is relatively poorly understood. A special subset of these materials includes alloys in which the constituent elements are present in equal atomic proportions, including the high-entropy alloys of recent interest. A unique characteristic of equiatomic alloys is the absence of “solvent” and “solute” atoms, resulting in a breakdown of the textbook picture of dislocations moving through a solvent lattice and encountering discrete solute obstacles. Likewise, to clarify the mechanical behavior of this interesting new class of materials, we investigate here a family of equiatomic binary, ternary and quaternary alloys based on the elements Fe, Ni, Co, Cr and Mn that were previously shown to be single-phase face-centered cubic (fcc) solid solutions. The alloys were arc-melted, drop-cast, homogenized, cold-rolled and recrystallized to produce equiaxed microstructures with comparable grain sizes. Tensile tests were performed at an engineering strain rate of 10-3 s-1 at temperatures in the range 77–673 K. Unalloyed fcc Ni was processed similarly and tested for comparison. The flow stresses depend to varying degrees on temperature, with some (e.g. NiCoCr, NiCoCrMn and FeNiCoCr) exhibiting yield and ultimate strengths that increase strongly with decreasing temperature, while others (e.g. NiCo and Ni) exhibit very weak temperature dependencies. Moreover, to better understand this behavior, the temperature dependencies of the yield strength and strain hardening were analyzed separately. Lattice friction appears to be the predominant component of the temperature-dependent yield stress, possibly because the Peierls barrier height decreases with increasing temperature due to a thermally induced increase of dislocation width. In the early stages of plastic flow (5–13% strain, depending on material), the

  19. Why FCC

    NASA Technical Reports Server (NTRS)

    Angele, W.

    1972-01-01

    Summaries are given of design characteristics and various advantages of FCC use. The information is presented in tables that include the following headings: (1) mechanical design, (2) electrical design, (3) manufacturing advantages, (4) inspection and reliability, and (5) cost savings. In addition, the results are summarized of a Saturn 4B FCC-RWC comparison study.

  20. Metal-organic pathways for anisotropic growth of a highly symmetrical crystal structure: example of the fcc Ni.

    PubMed

    Mourdikoudis, Stefanos; Collière, Vincent; Amiens, Catherine; Fau, Pierre; Kahn, Myrtil L

    2013-11-05

    The control of the metallic nanocrystal shape is of prime importance for a wide variety of applications. We report a detailed research work on metal-organic chemical routes for the synthesis of a highly symmetrical crystal structure. In particular, this study shows the key parameters ensuring the anisotropic growth of nickel nanostructures (fcc crystal). Numerous reaction conditions are investigated (precursors, solvents, temperature, reducing agents, reaction time, and types and ratios of surfactants, such as alkyl amines, carboxylic acids, and phosphine oxides), and their effects on the size and shape of the final product are reported. The role of the growth modifiers and the structuring of the reaction media on the anisotropic growth are demonstrated. This metal-organic approach generates several novel anisotropic nanostructures in a wide size range depending on the reaction conditions. In this way, nanomaterials with reproducible size, shape, and composition are obtained with good yield. Transmission electron microscopy techniques (TEM and HRTEM) are the principal methods for monitoring the morphology.

  1. Shock compression of [001] single crystal silicon

    DOE PAGES

    Zhao, S.; Remington, B.; Hahn, E. N.; ...

    2016-03-14

    Silicon is ubiquitous in our advanced technological society, yet our current understanding of change to its mechanical response at extreme pressures and strain-rates is far from complete. This is due to its brittleness, making recovery experiments difficult. High-power, short-duration, laser-driven, shock compression and recovery experiments on [001] silicon (using impedance-matched momentum traps) unveiled remarkable structural changes observed by transmission electron microscopy. As laser energy increases, corresponding to an increase in peak shock pressure, the following plastic responses are are observed: surface cleavage along {111} planes, dislocations and stacking faults; bands of amorphized material initially forming on crystallographic orientations consistent withmore » dislocation slip; and coarse regions of amorphized material. Molecular dynamics simulations approach equivalent length and time scales to laser experiments and reveal the evolution of shock-induced partial dislocations and their crucial role in the preliminary stages of amorphization. Furthermore, application of coupled hydrostatic and shear stresses produce amorphization below the hydrostatically determined critical melting pressure under dynamic shock compression.« less

  2. Shock compression of [001] single crystal silicon

    SciTech Connect

    Zhao, S.; Remington, B.; Hahn, E. N.; Kad, B.; Bringa, E. M.; Meyers, M. A.

    2016-03-14

    Silicon is ubiquitous in our advanced technological society, yet our current understanding of change to its mechanical response at extreme pressures and strain-rates is far from complete. This is due to its brittleness, making recovery experiments difficult. High-power, short-duration, laser-driven, shock compression and recovery experiments on [001] silicon (using impedance-matched momentum traps) unveiled remarkable structural changes observed by transmission electron microscopy. As laser energy increases, corresponding to an increase in peak shock pressure, the following plastic responses are are observed: surface cleavage along {111} planes, dislocations and stacking faults; bands of amorphized material initially forming on crystallographic orientations consistent with dislocation slip; and coarse regions of amorphized material. Molecular dynamics simulations approach equivalent length and time scales to laser experiments and reveal the evolution of shock-induced partial dislocations and their crucial role in the preliminary stages of amorphization. Furthermore, application of coupled hydrostatic and shear stresses produce amorphization below the hydrostatically determined critical melting pressure under dynamic shock compression.

  3. Shock compression of [001] single crystal silicon

    NASA Astrophysics Data System (ADS)

    Zhao, S.; Hahn, E. N.; Kad, B.; Remington, B. A.; Bringa, E. M.; Meyers, M. A.

    2016-05-01

    Silicon is ubiquitous in our advanced technological society, yet our current understanding of change to its mechanical response at extreme pressures and strain-rates is far from complete. This is due to its brittleness, making recovery experiments difficult. High-power, short-duration, laser-driven, shock compression and recovery experiments on [001] silicon (using impedance-matched momentum traps) unveiled remarkable structural changes observed by transmission electron microscopy. As laser energy increases, corresponding to an increase in peak shock pressure, the following plastic responses are are observed: surface cleavage along {111} planes, dislocations and stacking faults; bands of amorphized material initially forming on crystallographic orientations consistent with dislocation slip; and coarse regions of amorphized material. Molecular dynamics simulations approach equivalent length and time scales to laser experiments and reveal the evolution of shock-induced partial dislocations and their crucial role in the preliminary stages of amorphization. Application of coupled hydrostatic and shear stresses produce amorphization below the hydrostatically determined critical melting pressure under dynamic shock compression.

  4. Dislocation structure and deformation hardening alloy fcc single crystals at the mesolevel

    NASA Astrophysics Data System (ADS)

    Teplyakova, L. A.; Kunitsyna, T. S.; Koneva, N. A.; Kozlov, E. V.; Kondratyuk, A. A.; Zboikova, N. A.; Kakushkin, Yu A.; Iakhin, A. A.

    2016-11-01

    The article presents the evaluation results of impacts of various strengthening mechanisms to flow stress. Such evaluations were made on the basis of the measured parameters of the dislocation substructure formed in monocrystals of [001]-Ni3Fe alloy deformed by compression within the stage II. It was found that the main impact to deformation resistance in the alloys with net substructure is made by the mechanism of dislocation impediment, which is caused by contact interaction between moving dislocations and forest dislocations.

  5. Nucleation of liquid droplets and voids in a stretched Lennard-Jones fcc crystal.

    PubMed

    Baidakov, Vladimir G; Tipeev, Azat O

    2015-09-28

    The method of molecular dynamics simulation has been used to investigate the phase decay of a metastable Lennard-Jones face-centered cubic crystal at positive and negative pressures. It is shown that at high degrees of metastability, crystal decay proceeds through the spontaneous formation and growth of new-phase nuclei. It has been found that there exists a certain boundary temperature. Below this temperature, the crystal phase disintegrates as the result of formation of voids, and above, as a result of formation of liquid droplets. The boundary temperature corresponds to the temperature of cessation of a crystal-liquid phase equilibrium when the melting line comes in contact with the spinodal of the stretched liquid. The results of the simulations are interpreted in the framework of classical nucleation theory. The thermodynamics of phase transitions in solids has been examined with allowance for the elastic energy of stresses arising owing to the difference in the densities of the initial and the forming phases. As a result of the action of elastic forces, at negative pressures, the boundary of the limiting superheating (stretching) of a crystal approaches the spinodal, on which the isothermal bulk modulus of dilatation becomes equal to zero. At the boundary of the limiting superheating (stretching), the shape of liquid droplets and voids is close to the spherical one.

  6. Shear moduli in bcc-fcc structure transition of colloidal crystals.

    PubMed

    Zhou, Hongwei; Xu, Shenghua; Sun, Zhiwei; Zhu, Ruzeng

    2015-10-14

    Shear moduli variation in the metastable-stable structure transition of charged colloidal crystals was investigated by the combination techniques of torsional resonance spectroscopy and reflection spectrometer. Modulus of the system increases with the proceeding of the transition process and it finally reaches the maximum value at the end of the transition. For colloidal crystals in stable state, the experimental moduli show good consistence with theoretical expectations. However, in the transition process, the moduli are much smaller than theoretical ones and this can be chalked up to crystalline imperfection in the transition state.

  7. Shear moduli in bcc-fcc structure transition of colloidal crystals

    NASA Astrophysics Data System (ADS)

    Zhou, Hongwei; Xu, Shenghua; Sun, Zhiwei; Zhu, Ruzeng

    2015-10-01

    Shear moduli variation in the metastable-stable structure transition of charged colloidal crystals was investigated by the combination techniques of torsional resonance spectroscopy and reflection spectrometer. Modulus of the system increases with the proceeding of the transition process and it finally reaches the maximum value at the end of the transition. For colloidal crystals in stable state, the experimental moduli show good consistence with theoretical expectations. However, in the transition process, the moduli are much smaller than theoretical ones and this can be chalked up to crystalline imperfection in the transition state.

  8. Nucleation of liquid droplets and voids in a stretched Lennard-Jones fcc crystal

    SciTech Connect

    Baidakov, Vladimir G. Tipeev, Azat O.

    2015-09-28

    The method of molecular dynamics simulation has been used to investigate the phase decay of a metastable Lennard-Jones face-centered cubic crystal at positive and negative pressures. It is shown that at high degrees of metastability, crystal decay proceeds through the spontaneous formation and growth of new-phase nuclei. It has been found that there exists a certain boundary temperature. Below this temperature, the crystal phase disintegrates as the result of formation of voids, and above, as a result of formation of liquid droplets. The boundary temperature corresponds to the temperature of cessation of a crystal–liquid phase equilibrium when the melting line comes in contact with the spinodal of the stretched liquid. The results of the simulations are interpreted in the framework of classical nucleation theory. The thermodynamics of phase transitions in solids has been examined with allowance for the elastic energy of stresses arising owing to the difference in the densities of the initial and the forming phases. As a result of the action of elastic forces, at negative pressures, the boundary of the limiting superheating (stretching) of a crystal approaches the spinodal, on which the isothermal bulk modulus of dilatation becomes equal to zero. At the boundary of the limiting superheating (stretching), the shape of liquid droplets and voids is close to the spherical one.

  9. Inferring elastic properties of an fcc crystal from displacement correlations: sub-space projection and statistical artifacts

    NASA Astrophysics Data System (ADS)

    Hasan, Asad; Maloney, Craig

    2013-03-01

    We compute the effective dispersion and density of states (DOS) of two-dimensional sub-regions of three dimensional face centered cubic (FCC) crystals with both a direct projection-inversion technique and a Monte Carlo simulation based on a common Hamiltonian. We study sub-regions of both (111) and (100) planes. For any direction of wavevector, we show an anomalous ω2 ~ q scaling regime at low q where ω2 is the energy associated with a mode of wavenumber q. This scaling should give rise to an anomalous DOS, Dω, at low ω: Dω ~ω3 rather than the conventional Debye result: Dω ~ω2 . The DOS for the (100) sub-region looks to be consistent with Dω ~ω3 , while the (111) shows something closer to the Debye result at the smallest frequencies. Our Monte Carlo simulation shows that finite sampling artifacts act as an effective disorder and bias the Dω in the same way as the finite size artifacts, giving a behavior closer to Dω ~ω2 than Dω ~ω3 . These results should have an important impact on interpretation of recent studies of colloidal solids where two-point displacement correlations can be obtained in real-space via microscopy.

  10. Dislocation-kinetic analysis of FCC and BCC crystal spallation under shock-wave loading

    NASA Astrophysics Data System (ADS)

    Malygin, G. A.; Ogarkov, S. L.; Andriyash, A. V.

    2015-09-01

    Within the dislocation-kinetic model of the formation and propagation of shock waves in crystals under their intense shock-wave loading, the crystal spallation mechanism at micro- and macrolevels has been discussed taking into account published empirical data. It has been shown that the spallation time t f for Cu, Ni, α-Fe, and Ta crystals in the time interval of 10-6-10-9 s at the macroscopic level changes with variations in the wave pressure σ as , where = is the plastic strain rate according to the Swegle-Grady relation; K f , K σ, and ɛ f = K f K σ ≈ 3-5% are the pressure-independent spallation coefficients and strain, respectively; and E is the Young's modulus. At the microlevel, the dislocation-kinetic calculation of plastic zones around pore nuclei as stress concentrators and plastic strain localization regions at the shock wave front has been performed. It has been shown that the pore coalescence and spall fracture formation result from the superposition of shear stresses and plastic deformations in interpore spacings when the latter decrease to a size of the order of two pore sizes.

  11. Alignment and Stiffening of Liquid Crystal Elastomers under Dynamic Compression

    NASA Astrophysics Data System (ADS)

    Agrawal, Aditya; Patra, Prabir; Ajayan, Pulickel; Chapman, Walter; Verduzco, Rafael

    2013-03-01

    Biological tissues have the remarkable ability to remodel and repair in response to disease, injury, and mechanical stresses, a phenomenon known ``functional adaptation'' or ``remodeling''. Herein, we report similar behavior in polydomain liquid crystal elastomers. Liquid crystal elastomers dramatically increase in stiffness by up to 90 % under low-amplitude, repetitive (dynamic) compression. By studying a systematic series of materials, we demonstrate that the stiffness increase is directly influenced by the liquid crystal content of the elastomers, the presence of a nematic liquid crystal phase and the use of a dynamic as opposed to static deformation. Through a combination of rheological measurements, polarizing optical microscopy and 2-D X-ray diffraction, we demonstrate that self-stiffening arises due to rotations of the nematic director in response to dynamic compression, and show that the behavior is consistent with the theory for nematic rubber elasticity. Previous work with liquid crystal elastomers has focused primarily on `soft elastic' deformations at large strains, but our findings indicate rich behavior at previously overlooked low-strain, dynamic deformations.

  12. Infrared predetection dynamic range compression via photorefractive crystals

    NASA Technical Reports Server (NTRS)

    Liu, Hua-Kuang; Cheng, Li-Jen

    1988-01-01

    The theoretical basis and practical implementation of a predetection dynamic-range compression technique for IR sensor systems are discussed. The approach takes advantage of the nonlinear intensity dependence of the gain coefficient in photorefractive crystals. Its feasibility is demonstrated in numerical computations using the experimental data of Cheng and Partovi (1986) on two-wave mixing in GaAs at 1.15 micron wavelength.

  13. Inferring elastic properties of an fcc crystal from displacement correlations: Subspace projection and statistical artifacts

    NASA Astrophysics Data System (ADS)

    Hasan, A.; Maloney, C. E.

    2014-12-01

    We compute the effective dispersion and vibrational density of states (DOS) of two-dimensional subregions of three-dimensional face-centered-cubic crystals using both a direct projection-inversion technique and a Monte Carlo simulation based on a common underlying Hamiltonian. We study both a (111) and (100) plane. We show that for any given direction of wave vector, both (111) and (100) show an anomalous ω2˜q regime at low q where ω2 is the energy associated with the given mode and q is its wave number. The ω2˜q scaling should be expected to give rise to an anomalous DOS, Dω, at low ω : Dω˜ω3 rather than the conventional Debye result: Dω˜ω2 . The DOS for (100) looks to be consistent with Dω˜ω3 , while (111) shows something closer to the conventional Debye result at the smallest frequencies. In addition to the direct projection-inversion calculation, we perform Monte Carlo simulations to study the effects of finite sampling statistics. We show that finite sampling artifacts act as an effective disorder and bias Dω, giving a behavior closer to Dω˜ω2 than Dω˜ω3 . These results should have an important impact on the interpretation of recent studies of colloidal solids where the two-point displacement correlations can be obtained directly in real-space via microscopy.

  14. Inferring elastic properties of an fcc crystal from displacement correlations: subspace projection and statistical artifacts.

    PubMed

    Hasan, A; Maloney, C E

    2014-12-01

    We compute the effective dispersion and vibrational density of states (DOS) of two-dimensional subregions of three-dimensional face-centered-cubic crystals using both a direct projection-inversion technique and a Monte Carlo simulation based on a common underlying Hamiltonian. We study both a (111) and (100) plane. We show that for any given direction of wave vector, both (111) and (100) show an anomalous ω(2)∼q regime at low q where ω(2) is the energy associated with the given mode and q is its wave number. The ω(2)∼q scaling should be expected to give rise to an anomalous DOS, D(ω), at low ω: D(ω)∼ω(3) rather than the conventional Debye result: D(ω)∼ω(2). The DOS for (100) looks to be consistent with D(ω)∼ω(3), while (111) shows something closer to the conventional Debye result at the smallest frequencies. In addition to the direct projection-inversion calculation, we perform Monte Carlo simulations to study the effects of finite sampling statistics. We show that finite sampling artifacts act as an effective disorder and bias D(ω), giving a behavior closer to D(ω)∼ω(2) than D(ω)∼ω(3). These results should have an important impact on the interpretation of recent studies of colloidal solids where the two-point displacement correlations can be obtained directly in real-space via microscopy.

  15. Shock compression experiments on Lithium Deuteride single crystals.

    SciTech Connect

    Knudson, Marcus D.; Desjarlais, Michael Paul; Lemke, Raymond W.

    2014-10-01

    S hock compression exper iments in the few hundred GPa (multi - Mabr) regime were performed on Lithium Deuteride (LiD) single crystals . This study utilized the high velocity flyer plate capability of the Sandia Z Machine to perform impact experiments at flyer plate velocities in the range of 17 - 32 km/s. Measurements included pressure, density, and temperature between %7E200 - 600 GPa along the Principal Hugoniot - the locus of end states achievable through compression by large amplitude shock waves - as well as pressure and density of re - shock states up to %7E900 GPa . The experimental measurements are compared with recent density functional theory calculations as well as a new tabular equation of state developed at Los Alamos National Labs.

  16. Shock Compression of Metal Crystals: A Comparison of Eulerian and Lagrangian Elastic-Plastic Theories

    DTIC Science & Technology

    2014-11-01

    Shock Compression of Metal Crystals: A Comparison of Eulerian and Lagrangian Elastic- Plastic Theories by JD Clayton ARL-RP-0513...of Metal Crystals: A Comparison of Eulerian and Lagrangian Elastic- Plastic Theories JD Clayton Weapons and Materials Research Directorate, ARL...SUBTITLE Shock Compression of Metal Crystals: A Comparison of Eulerian and Lagrangian Elastic- Plastic Theories 5a. CONTRACT NUMBER 5b. GRANT

  17. Epitaxial growth of fcc-Co{sub x}Ni{sub 100-x} thin films on MgO(110) single-crystal substrates

    SciTech Connect

    Ohtake, Mitsuru; Nukaga, Yuri; Sato, Yoichi; Futamoto, Masaaki; Kirino, Fumiyoshi

    2009-12-15

    Co{sub x}Ni{sub 100-x} (x=100, 80, 20, 0 at. %) epitaxial thin films were prepared on MgO(110) single-crystal substrates heated at 300 deg. C by ultrahigh vacuum molecular beam epitaxy. The growth mechanism is discussed based on lattice strain and crystallographic defects. CoNi(110) single-crystal films with a fcc structure are obtained for all compositions. Co{sub x}Ni{sub 100-x} film growth follows the Volmer-Weber mode. X-ray diffraction analysis indicates that the out-of-plane and the in-plane lattice spacings of the Co{sub x}Ni{sub 100-x} films are in agreement within +-0.5% with the values of the respective bulk Co{sub x}Ni{sub 100-x} crystals, suggesting that the strain in the film is very small. High-resolution cross-sectional transmission microscopy shows that an atomically sharp boundary is formed between a Co(110){sub fcc} film and a MgO(110) substrate, where periodical misfit dislocations are preferentially introduced in the film at the Co/MgO interface. The presence of such periodical misfit dislocations relieves the strain caused by the lattice mismatch between the film and the substrate.

  18. Dependence of Initial Grain Orientation on the Evolution of Anisotropy in FCC and BCC Metals Using Crystal Plasticity and Texture Analysis

    NASA Astrophysics Data System (ADS)

    Raja, Daniel Selvakumar

    Abundant experimental analyses and theoretical computational analyses that had been performed on metals to understand anisotropy and its evolution and its dependence on initial orientation of grains have failed to provide theories that can be used in macro-scale plasticity. Ductile metals fracture after going through a large amount of plastic deformation, during which the anisotropy of the material changes significantly. Processed metal sheets or slabs possess anisotropy due to textures produced by metal forming processes (such as drawing, bending and press braking). Metals that were initially isotropic possess anisotropy after undergoing forming processes, i.e., through texture formation due to large amount of plastic deformation before fracture. It is therefore essential to consider the effect of anisotropy to predict the characteristics of fracture and plastic flow performances in the simulation of ductile fracture and plastic flow of materials. Crystal plasticity simulations carried out on grains at the meso-scale level with different initial orientations (ensembles) help to derive the evolution of anisotropy at the macro-scale level and its dependence on initial orientation of grains. This paper investigates the evolution of anisotropy in BCC and FCC metals and its dependence on grain orientation using crystal plasticity simulations and texture analysis to reveal the mechanics behind the evolution of anisotropy. A comparison of anisotropy evolution between BCC and FCC metals is made through the simulation, which can be used to propose the theory of anisotropy evolution in macro-scale plasticity. Keywords: ensembles; grains; initial orientation; anisotropy; evolution of anisotropy; crystal plasticity; textures; homogeneity; isotropy; inelastic; equivalent strain.

  19. A physically based constitutive model for FCC single crystals with a single state variable per slip system

    NASA Astrophysics Data System (ADS)

    Demir, Eralp

    2017-01-01

    A new, simple and physically consistent dislocation-density-based continuum model is developed in a large-strain crystal plasticity framework. All the constitutive laws are expressed in a simple and unique way in terms of a single state variable dislocation density. The proposed physically based model predicts experimental single-crystal stress-strain curves along different crystal directions more accurately than a classical model with widely accepted constitutive laws. The polycrystal texture predictions from the dislocation-density-based and classical models having the same single-crystal stress-strain characteristics are in good agreement with the classical model when Taylor-type homogenization is used in conjunction with enough number of grains.

  20. Phase field theory of interfaces and crystal nucleation in a eutectic system of fcc structure: I. Transitions in the one-phase liquid region.

    PubMed

    Tóth, Gyula I; Gránásy, László

    2007-08-21

    The phase field theory (PFT) has been applied to predict equilibrium interfacial properties and nucleation barrier in the binary eutectic system Ag-Cu using double well and interpolation functions deduced from a Ginzburg-Landau expansion that considers fcc (face centered cubic) crystal symmetries. The temperature and composition dependent free energies of the liquid and solid phases are taken from CALculation of PHAse Diagrams-type calculations. The model parameters of PFT are fixed so as to recover an interface thickness of approximately 1 nm from molecular dynamics simulations and the interfacial free energies from the experimental dihedral angles available for the pure components. A nontrivial temperature and composition dependence for the equilibrium interfacial free energy is observed. Mapping the possible nucleation pathways, we find that the Ag and Cu rich critical fluctuations compete against each other in the neighborhood of the eutectic composition. The Tolman length is positive and shows a maximum as a function of undercooling. The PFT predictions for the critical undercooling are found to be consistent with experimental results. These results support the view that heterogeneous nucleation took place in the undercooling experiments available at present. We also present calculations using the classical droplet model [classical nucleation theory (CNT)] and a phenomenological diffuse interface theory (DIT). While the predictions of the CNT with a purely entropic interfacial free energy underestimate the critical undercooling, the DIT results appear to be in a reasonable agreement with the PFT predictions.

  1. Development of a numerical procedure for mixed mode K-solutions and fatigue crack growth in FCC single crystal superalloys

    NASA Astrophysics Data System (ADS)

    Ranjan, Srikant

    2005-11-01

    Fatigue-induced failures in aircraft gas turbine and rocket engine turbopump blades and vanes are a pervasive problem. Turbine blades and vanes represent perhaps the most demanding structural applications due to the combination of high operating temperature, corrosive environment, high monotonic and cyclic stresses, long expected component lifetimes and the enormous consequence of structural failure. Single crystal nickel-base superalloy turbine blades are being utilized in rocket engine turbopumps and jet engines because of their superior creep, stress rupture, melt resistance, and thermomechanical fatigue capabilities over polycrystalline alloys. These materials have orthotropic properties making the position of the crystal lattice relative to the part geometry a significant factor in the overall analysis. Computation of stress intensity factors (SIFs) and the ability to model fatigue crack growth rate at single crystal cracks subject to mixed-mode loading conditions are important parts of developing a mechanistically based life prediction for these complex alloys. A general numerical procedure has been developed to calculate SIFs for a crack in a general anisotropic linear elastic material subject to mixed-mode loading conditions, using three-dimensional finite element analysis (FEA). The procedure does not require an a priori assumption of plane stress or plane strain conditions. The SIFs KI, KII, and KIII are shown to be a complex function of the coupled 3D crack tip displacement field. A comprehensive study of variation of SIFs as a function of crystallographic orientation, crack length, and mode-mixity ratios is presented, based on the 3D elastic orthotropic finite element modeling of tensile and Brazilian Disc (BD) specimens in specific crystal orientations. Variation of SIF through the thickness of the specimens is also analyzed. The resolved shear stress intensity coefficient or effective SIF, Krss, can be computed as a function of crack tip SIFs and the

  2. Improving the intensity and efficiency of compressed echo in rare-earth-ion-doped crystal

    NASA Astrophysics Data System (ADS)

    Xiu-Rong, Ma; Yu-Qing, Liang; Song, Wang; Shuang-Gen, Zhang; Yun-Long, Shan

    2016-07-01

    We investigate the intensity and efficiency of a compressed echo, which is important in arbitrary waveform generation (AWG). A new model of compressed echo is proposed based on the optical Bloch equations, which exposes much more detailed parameters than the conventional model, such as the time delay of the chirp lasers, the nature of the rare-earth-ion-doped crystal, etc. According to the novel model of compressed echo, we find that reducing the time delay of the chirp lasers and scanning the lasers around the center frequency of the inhomogeneously broadened spectrum, while utilizing a crystal with larger coherence time and excitation lifetime can improve the compressed echo’s intensity and efficiency. The theoretical analysis is validated by numerical simulations. Project supported by Special Funds for Scientific and Technological Innovation Projects in Tianjin, China (Grant No. 10FDZDGX00400) and the Tianjin Research Program of Application Foundation and Advanced Technology, China (Grant No. 15JCQNJC01100).

  3. Segmentation Effect on Inhomogeneity of [110]-Single Crystal Deformation

    NASA Astrophysics Data System (ADS)

    Lychagin, D. V.; Nesterenko, E. A. Alfyorova V. P.

    2016-08-01

    This work presents a detailed analysis of segmentation process in FCC single crystals with compression axis [110] and side faces( ̅110) and (001) considering effect of octahedral shear crystal-geometry and basic stress concentrators. Sequence of meso-band systems formation on side faces is determined. Macro-segmentation patterns are specified, that are common to the FCC single crystals under investigation. It is proved that rectangular shape of highly compressed crystals, elongated in direction of operating planes, is conditioned by orientation symmetry of compression axis, single crystal side faces and shears directions, which are characteristic for the given orientation. The specified patterns are characteristic only for the samples with initial height-to-width ratio equal to 2. When varying sample height relative to the initial one, segmentation patterns will also vary due to crystal geometry variations.

  4. The possibility to measure the magnetic moments of short-lived particles (charm and beauty baryons) at LHC and FCC energies using the phenomenon of spin rotation in crystals

    NASA Astrophysics Data System (ADS)

    Baryshevsky, V. G.

    2016-06-01

    The use of spin rotation effect in bent crystals for measuring the magnetic moment of short-lived particles in the range of LHC and FCC energies is considered. It is shown that the estimated number of produced baryons that are captured into a bent crystal grows as ∼γ 3 / 2 with increasing particle energy. Hence it may be concluded that the experimental measurement of magnetic moments of short-lived particles using the spin rotation effect is feasible at LHC and higher energies (for LHC energies, e.g., the running time required for measuring the magnetic moment of Λc+ is 2 ÷ 16 hours).

  5. Avalanches, plasticity, and ordering in colloidal crystals under compression.

    PubMed

    McDermott, D; Reichhardt, C J Olson; Reichhardt, C

    2016-06-01

    Using numerical simulations we examine colloids with a long-range Coulomb interaction confined in a two-dimensional trough potential undergoing dynamical compression. As the depth of the confining well is increased, the colloids move via elastic distortions interspersed with intermittent bursts or avalanches of plastic motion. In these avalanches, the colloids rearrange to minimize their colloid-colloid repulsive interaction energy by adopting an average lattice constant that is isotropic despite the anisotropic nature of the compression. The avalanches take the form of shear banding events that decrease or increase the structural order of the system. At larger compression, the avalanches are associated with a reduction of the number of rows of colloids that fit within the confining potential, and between avalanches the colloids can exhibit partially crystalline or anisotropic ordering. The colloid velocity distributions during the avalanches have a non-Gaussian form with power-law tails and exponents that are consistent with those found for the velocity distributions of gliding dislocations. We observe similar behavior when we subsequently decompress the system, and find a partially hysteretic response reflecting the irreversibility of the plastic events.

  6. Equation of state and thermodynamic functions for the fcc soft-core multiple-Yukawa solid and application to fullerenes with compressible molecular radius

    NASA Astrophysics Data System (ADS)

    Sun, Jiu-Xun

    2007-01-01

    The generalized free volume theory is applied to the soft-core multiple-Yukawa solid, and the hard-core multiple-Yukawa is included in as a special case. The expressions for equation of state and internal energy are derived. The formalism developed is applied to the C60 , C76 , and C84 solids. The effective diameter of C60 molecule is taken as the experimental value; the parameters of the double Yukawa (DY) potential for carbon-carbon atoms are determined through fitting the experimental data of cohesive energy, the lattice constant, and the compression curve of C60 solid at ambient temperature. The effective diameter of C76 and C84 molecules are determined through fitting the experimental lattice constants at ambient temperature. The numerical results of C60 solid from the soft-core DY potential are in good agreement with the experiments, including the lattice constant and compression curve. The lattice constant versus temperature relationship for C76 and C84 solids calculated from the DY potential is qualitatively in accordance with experimental data as same as the Girifalco potential. The compression curve of the C84 solid calculated from the DY potential deviates from and is softer than the experimental data available. The reason for deviation is discussed, and it is concluded that the influence of compressibility of fullerene molecules to thermophysical quantities is important at high-pressure conditions.

  7. A Study of the Crystallization, Melting, and Foaming Behaviors of Polylactic Acid in Compressed CO2

    PubMed Central

    Zhai, Wentao; Ko, Yoorim; Zhu, Wenli; Wong, Anson; Park, Chul B.

    2009-01-01

    The crystallization and melting behaviors of linear polylactic acid (PLA) treated by compressed CO2 was investigated. The isothermal crystallization test indicated that while PLA exhibited very low crystallization kinetics under atmospheric pressure, CO2 exposure significantly increased PLA’s crystallization rate; a high crystallinity of 16.5% was achieved after CO2 treatment for only 1 min at 100 °C and 6.89 MPa. One melting peak could be found in the DSC curve, and this exhibited a slight dependency on treatment times, temperatures, and pressures. PLA samples tended to foam during the gas release process, and a foaming window as a function of time and temperature was established. Based on the foaming window, crystallinity, and cell morphology, it was found that foaming clearly reduced the needed time for PLA’s crystallization equilibrium. PMID:20054476

  8. An approach to engineer paracetamol crystals by antisolvent crystallization technique in presence of various additives for direct compression.

    PubMed

    Kaialy, Waseem; Larhrib, Hassan; Chikwanha, Brian; Shojaee, Saeed; Nokhodchi, Ali

    2014-04-10

    Paracetamol is a popular over-the-counter analgesic and a challenging model drug due to its poor technological and biopharmaceutical properties such as flowability, compressibility, compactibility and wettability. This work was aimed to alter the crystal habit of paracetamol from elongated to polyhedral-angular via particle engineering whilst maintaining the stable polymorphic form (form I: monoclinic form). The engineered paracetamol crystals obtained in the present investigation showed better technological and biopharmaceutical properties in comparison to the commercial paracetamol. Engineered paracetamol crystals were obtained using antisolvent crystallization technique in the presence of various concentrations (0.1, 0.5 and 1%, w/w) of additives, namely, polyvinyl alcohol (PVA), Avicel PH 102 (microcrystalline cellulose), Brij 58, methylcellulose (MC) and polyethylene glycol having different molecular weights (PEGs 1500, 6000 and 8000). Paracetamols crystallized in the presence of Avicel (or physically mixed with Avicel), Brij 58 and PEG 6000 demonstrated the best compactibility over a range of compaction pressures. Brij-crystallized paracetamol provided the fastest dissolution rate among all the paracetamol batches. Paracetamols crystallized in the presence of PVA or Avicel, or physically mixed with Avicel demonstrated a reduced degree of crystallinity in comparison to the other paracetamols. This study showed that the type, the grade and the concentration of additives could influence the physical stability such as flow, crystallinity and polymorphic transformation of paracetamol, the technological and biopharmaceutical properties of paracetamol. Stable polymorphic form of paracetamol with optimal tableting characteristics can be achieved through particle engineering.

  9. Molecular Dynamics Simulation of FCC Metallic Nanowires: A Review

    NASA Astrophysics Data System (ADS)

    Lao, Jijun; Naghdi Tam, Mehdi; Pinisetty, Dinesh; Gupta, Nikhil

    2013-02-01

    Molecular dynamic simulation studies are reviewed to understand the influence of strain rate, temperature, and cross-section size on the mechanical properties of face-centered cubic (FCC) metallic nanowires (MNWs). The yield stress of FCC MNWs is found to be 100 times higher than that of the corresponding bulk metals. The yield strain and fracture stress of MNWs are also found to be significantly higher compared with those of the bulk metals. The influence of deformation mechanisms (slip and twinning) on the mechanical properties of FCC MNWs is discussed. FCC MNWs are found to exhibit novel structural reorientation, phase transformation, elastic recovery, pseudoelasticity, and shape memory effect. MNWs with body-centered cubic (BCC) and hexagonal closed-packed crystal structures are compared with the FCC MNWs. Pseudoelasticity was also observed in BCC MNWs similar to that of FCC MNWs. Dense nano-twin arrays were found in Mg nanowires despite the high twin boundary energy.

  10. The hierarchical characterization of deformation heterogeneities in compressed metal single crystals

    NASA Astrophysics Data System (ADS)

    Magid, Karen Ruth

    Plastic deformation is an inherently heterogeneous process whose understanding is still incomplete after more than 50 years of study. The traditional methods of analysis look at both bulk material deformation and properties and the microscale features which comprise the inherent deformation processes. A large amount of information occurring on the mesoscale, from 1 to 100 microns, has not been analyzed. Here we present the results from an x-ray diffraction technique with submicron spatial resolution used to analyze compressed metal single crystals. The mesoscopic structure of the inhomogeneous macroscopic deformation pattern was explored with selected area diffraction, using a focused synchrotron radiation polychromatic beam with a resolution of 1-3 mum. Single crystals of copper, molybdenum, and zinc were oriented for single slip tested to ˜2-14% strain in nearly uniaxial compression, using a specifically designed 6 degree of freedom compressive test device. The macroscopic strain field was monitored during the test by optical image correlation methods that mapped the strain field with a spatial resolution of about 100 mum. The copper and molybdenum crystals deformed unexpectedly, exhibiting significant amounts of secondary slip activity alongside the primary slip. Areas of interest from adjacent faces were identified from the image correlation and mapped for their orientation, excess defect density, and shear stress. The mesoscopic defect structure in the copper specimens consisted of broad, somewhat irregular primary bands that lay nominally parallel to (111), in an almost periodic distribution with a period of about 30 mum. These primary bands were dominant even in the region of conjugate strain. There were also broad conjugate defect bands, almost precisely perpendicular to the primary bands that tended to bridge primary bands and terminate at them. In addition, a tantalum bicrystal, previously compressed and characterized using electron back

  11. Atomistic study of pyramidal slips in pure magnesium single crystal under nano-compression

    NASA Astrophysics Data System (ADS)

    Tang, Xiao-Zhi; Guo, Ya-Fang; Xu, Shuang; Wang, Yue-Sheng

    2015-07-01

    Pyramidal slip mechanism plays an important role in c-axis micro-compression of hexagonal closed-packed metals. In this article, the detailed slip paths, respectively, on ? and ? planes in magnesium single crystal are given by molecular dynamics. The pyramidal slip on ? plane is suggested to consist of an edge-type partial dislocation and opposite basal movements on neighbouring basal planes, while the ? slip dissociation is achieved by two partial dislocations with a strip of stacking fault. Results imply that the slip on ? plane is more likely to nucleate with a relatively easy dissociation type comparing to the one on ? plane. No twinning is found under c-axis compression by examining the stepwise movement of atoms involved, fully supporting the recent experimental observations of micro-compression and the theoretical analysis on twinning formation proposed by our previous work.

  12. Multiple slip in copper single crystals deformed in compression under uniaxial stress

    SciTech Connect

    Florando, J N; LeBlanc, M M; Lassila, D H

    2006-11-30

    Uniaxial compression experiments on copper single crystals, oriented to maximize the shear for one slip system, show some unexpected results. In addition to the expected activity on the primary slip system, the results show appreciable activity perpendicular to the primary system. The magnitude of the activity orthogonal to the primary varies from being equal to the primary for the as-fabricated samples to 1/5 of the primary in the samples annealed after fabrication.

  13. On self-diffusion and surface energy upon compression or tension of an iron crystal

    NASA Astrophysics Data System (ADS)

    Magomedov, M. N.

    2013-03-01

    The dependences of the activation parameters (formation of vacancies and self-diffusion) and specific surface energy on the volume fraction ( V/ V 0) are calculated in terms of the Mie-Lenard-Jones pair potential of interatomic interaction for bcc-Fe along the 300-K and 3000-K isotherms. It is shown that under strong compressions ( V/ V 0 < 1) or tensions ( V/ V 0 > 1), the surface energy has a negative value, which must lead to the crystal structure fragmentation.

  14. Thermoreversible, epitaxial fcc<-->bcc transitions in block copolymer solutions.

    PubMed

    Bang, Joona; Lodge, Timothy P; Wang, Xiaohui; Brinker, Kristin L; Burghardt, Wesley R

    2002-11-18

    Uncharged block copolymer micelles display thermoreversible transitions between close-packed and bcc lattices for a range of concentration, solvent selectivity, and copolymer composition. Using small-angle x-ray scattering on shear-oriented solutions, highly aligned fcc crystals are seen to transform epitaxially to bcc crystals, with fcc/bcc orientational relationships that are well established in martensitic transformations in metals. The transition is driven by decreasing solvent selectivity with increasing temperature, inducing solvent penetration of the micellar core.

  15. Analysis of compression behavior of a [011] Ta single crystal with orientation imaging microscopy and crystal plasticity

    SciTech Connect

    Adams, B L; Campbell, G H; King, W E; Lassila, D H; Stolken, J S; Sun, S; Swartz, A J

    1999-02-03

    High-purity tantalum single crystal cylinders oriented with [011] parallel to the cylinder axis were deformed 10, 20, and 30 percent in compression. The engineering stress-strain curve exhibited an up-turn at strains greater than {approximately}20% while the samples took on an ellipsoidal shape during testing, elongated along the [100] direction with almost no dimensional change along [0{bar 1}1]. Two orthogonal planes were selected for characterization using Orientation Imaging Microscopy (OIM): one plane containing [100] and [011] (longitudinal) and the other in the plane containing [0{bar 1}1] and [011] (transverse). OIM revealed patterns of alternating crystal rotations that develop as a function of strain and exhibit evolving length scales. The spacing and magnitude of these alternating misorientations increases in number density and decreases in spacing with increasing strain. Classical crystal plasticity calculations were performed to simulate the effects of compression deformation with and without the presence of friction. The calculated stress-strain response, local lattice reorientations, and specimen shape are compared with experiment.

  16. Solvent effect on tolbutamide crystallization induced by compressed CO 2 as antisolvent

    NASA Astrophysics Data System (ADS)

    Subra-Paternault, P.; Roy, C.; Vrel, D.; Vega-Gonzalez, A.; Domingo, C.

    2007-11-01

    The aim of this work is to investigate the crystallization of tolbutamide induced by the addition of compressed carbon dioxide, with a particular focus on the role of the liquor solvent on the product characteristics. Crystals morphology and sizes were documented by microscopy and laser diffraction, respectively; since tolbutamide exists in four polymorph forms, characterizations by powder X-rays diffraction, differential scanning calorimetry and Raman spectroscopy were carried out. When processed from acetone or ethyl acetate, the drug crystallizes as polyedres and in a crystal lattice typical of Form III. If ethanol is added to acetone, Form I appears in the powder and becomes predominant for a content of 29% (in mol) and above; at the same time, mean particles size decreases. However, ethanol improves the solubilization of tolbutamide in the formed CO 2-solvent mixture, and is thus not favourable to a good yield of production. Mixtures of acetone with poor solvents such as diethyl ether and water were tested out; both enable the recovery of a mixture of Forms I and III, but with no significant improvement in sizes or yields compared with pure acetone or acetone-ethanol mixtures. Finally, the comparison with crystals obtained by evaporation indicates that the solvent itself was the main cause of the crystal phase observed, rather than the supercritical treatment.

  17. X-Ray Diffraction From Shocked Crystals: Experiments and Predications of Molecular Dynamics Simulations

    SciTech Connect

    Rosolankova, K; Kalantar, D H; Belak, J F; Bringa, E M; Caturla, M J; Hawreliak, J; Holian, B L; Kadau, K; Lomdahl, P S; Germann, T C; Ravelo, R; Sheppard, J; Wark, J S

    2003-09-24

    When a crystal is subjected to shock compression beyond its Hugoniot Elastic Limit (HEL), the deformation it undergoes is composed of elastic and plastic strain components. In situ time-dependent X-ray diffraction, which allows direct measurement of lattice spacings, can be used to investigate such phenomena. This paper presents recent experimental results of X-ray diffraction from shocked fcc crystals. Comparison is made between experimental data and simulated X-ray diffraction using a post-processor to Molecular Dynamics (MD) simulations of shocked fcc crystals.

  18. Effects of molecular geometry on the properties of compressed diamondoid crystals

    SciTech Connect

    Yang, Fan; Lin, Yu; Baldini, Maria; Dahl, Jeremy E. P.; Carlson, Robert M. K.; Mao, Wendy L.

    2016-11-01

    Diamondoids are an intriguing group of carbon-based nanomaterials, which combine desired properties of inorganic nanomaterials and small hydrocarbon molecules with atomic-level uniformity. In this Letter, we report the first comparative study on the effect of pressure on a series of diamondoid crystals with systematically varying molecular geometries and shapes, including zero-dimensional (0D) adamantane; one-dimensional (1D) diamantane, [121]tetramantane, [123]tetramantane, and [1212]pentamantane; two-dimensional (2D) [12312]hexamantane; and three-dimensional (3D) triamantane and [1(2,3)4]pentamantane. We find the bulk moduli of these diamondoid crystals are strongly dependent on the diamondoids’ molecular geometry with 3D [1(2,3)4]pentamantane being the least compressible and 0D adamantane being the most compressible. These diamondoid crystals possess excellent structural rigidity and are able to sustain large volume deformation without structural failure even after repetitive pressure loading cycles. These properties are desirable for constructing cushioning devices. Furthermore, we also demonstrate that lower diamondoids outperform the conventional cushioning materials in both the working pressure range and energy absorption density.

  19. Effects of molecular geometry on the properties of compressed diamondoid crystals

    DOE PAGES

    Yang, Fan; Lin, Yu; Baldini, Maria; ...

    2016-11-01

    Diamondoids are an intriguing group of carbon-based nanomaterials, which combine desired properties of inorganic nanomaterials and small hydrocarbon molecules with atomic-level uniformity. In this Letter, we report the first comparative study on the effect of pressure on a series of diamondoid crystals with systematically varying molecular geometries and shapes, including zero-dimensional (0D) adamantane; one-dimensional (1D) diamantane, [121]tetramantane, [123]tetramantane, and [1212]pentamantane; two-dimensional (2D) [12312]hexamantane; and three-dimensional (3D) triamantane and [1(2,3)4]pentamantane. We find the bulk moduli of these diamondoid crystals are strongly dependent on the diamondoids’ molecular geometry with 3D [1(2,3)4]pentamantane being the least compressible and 0D adamantane being the most compressible.more » These diamondoid crystals possess excellent structural rigidity and are able to sustain large volume deformation without structural failure even after repetitive pressure loading cycles. These properties are desirable for constructing cushioning devices. Furthermore, we also demonstrate that lower diamondoids outperform the conventional cushioning materials in both the working pressure range and energy absorption density.« less

  20. Shock compression experiments on Lithium Deuteride (LiD) single crystals

    SciTech Connect

    Knudson, Marcus D.; Desjarlais, Michael P.; Lemke, Raymond W.

    2014-10-01

    Shock compression experiments in the few hundred GPa (multi-Mabr) regime were performed on Lithium Deuteride (LiD) single crystals. This study utilized the high velocity flyer plate capability of the Sandia Z Machine to perform impact experiments at flyer plate velocities in the range of 17-32 km/s. Measurements included pressure, density, and temperature between ~200-600 GPa along the Principal Hugoniot – the locus of end states achievable through compression by large amplitude shock waves – as well as pressure and density of re - shock states up to ~900 GPa. Lastly, the experimental measurements are compared with recent density functional theory calculations as well as a new tabular equation of state developed at Los Alamos National Labs.

  1. Shock compression experiments on Lithium Deuteride (LiD) single crystals

    NASA Astrophysics Data System (ADS)

    Knudson, M. D.; Desjarlais, M. P.; Lemke, R. W.

    2016-12-01

    Shock compression experiments in the few hundred GPa (multi-Mbar) regime were performed on Lithium Deuteride single crystals. This study utilized the high velocity flyer plate capability of the Sandia Z Machine to perform impact experiments at flyer plate velocities in the range of 17-32 km/s. Measurements included pressure, density, and temperature between ˜190 and 570 GPa along the Principal Hugoniot—the locus of end states achievable through compression by large amplitude shock waves—as well as pressure and density of reshock states up to ˜920 GPa. The experimental measurements are compared with density functional theory calculations, tabular equation of state models, and legacy nuclear driven results that have been reanalyzed using modern equations of state for the shock wave standards used in the experiments.

  2. Miniature Compressive Ultra-spectral Imaging System Utilizing a Single Liquid Crystal Phase Retarder

    PubMed Central

    August, Isaac; Oiknine, Yaniv; AbuLeil, Marwan; Abdulhalim, Ibrahim; Stern, Adrian

    2016-01-01

    Spectroscopic imaging has been proved to be an effective tool for many applications in a variety of fields, such as biology, medicine, agriculture, remote sensing and industrial process inspection. However, due to the demand for high spectral and spatial resolution it became extremely challenging to design and implement such systems in a miniaturized and cost effective manner. Using a Compressive Sensing (CS) setup based on a single variable Liquid Crystal (LC) retarder and a sensor array, we present an innovative Miniature Ultra-Spectral Imaging (MUSI) system. The LC retarder acts as a compact wide band spectral modulator. Within the framework of CS, a sequence of spectrally modulated images is used to recover ultra-spectral image cubes. Using the presented compressive MUSI system, we demonstrate the reconstruction of gigapixel spatio-spectral image cubes from spectral scanning shots numbering an order of magnitude less than would be required using conventional systems. PMID:27004447

  3. Shock compression experiments on Lithium Deuteride (LiD) single crystals

    SciTech Connect

    Knudson, M. D.; Desjarlais, M. P.; Lemke, R. W.

    2016-12-21

    Shock compression experiments in the few hundred GPa (multi-Mabr) regime were performed on Lithium Deuteride (LiD) single crystals. This study utilized the high velocity flyer plate capability of the Sandia Z Machine to perform impact experiments at flyer plate velocities in the range of 17-32 km/s. Measurements included pressure, density, and temperature between ~200-600 GPa along the Principal Hugoniot – the locus of end states achievable through compression by large amplitude shock waves – as well as pressure and density of re - shock states up to ~900 GPa. Lastly, the experimental measurements are compared with recent density functional theory calculations as well as a new tabular equation of state developed at Los Alamos National Labs.

  4. Shock compression experiments on Lithium Deuteride (LiD) single crystals

    DOE PAGES

    Knudson, M. D.; Desjarlais, M. P.; Lemke, R. W.

    2016-12-21

    Shock compression experiments in the few hundred GPa (multi-Mabr) regime were performed on Lithium Deuteride (LiD) single crystals. This study utilized the high velocity flyer plate capability of the Sandia Z Machine to perform impact experiments at flyer plate velocities in the range of 17-32 km/s. Measurements included pressure, density, and temperature between ~200-600 GPa along the Principal Hugoniot – the locus of end states achievable through compression by large amplitude shock waves – as well as pressure and density of re - shock states up to ~900 GPa. Lastly, the experimental measurements are compared with recent density functional theorymore » calculations as well as a new tabular equation of state developed at Los Alamos National Labs.« less

  5. Shock compression experiments on Lithium Deuteride (LiD) single crystals

    DOE PAGES

    Knudson, M. D.; Desjarlais, M. P.; Lemke, R. W.

    2016-12-21

    Shock compression experiments in the few hundred GPa (multi-Mbar) regime were performed on Lithium Deuteride single crystals. This study utilized the high velocity flyer plate capability of the Sandia Z Machine to perform impact experiments at flyer plate velocities in the range of 17–32 km/s. Measurements included pressure, density, and temperature between ~190 and 570 GPa along the Principal Hugoniot—the locus of end states achievable through compression by large amplitude shock waves—as well as pressure and density of reshock states up to ~920 GPa. As a result, the experimental measurements are compared with density functional theory calculations, tabular equation ofmore » state models, and legacy nuclear driven results that have been reanalyzed using modern equations of state for the shock wave standards used in the experiments.« less

  6. Shock compression experiments on Lithium Deuteride (LiD) single crystals

    SciTech Connect

    Knudson, M. D.; Desjarlais, M. P.; Lemke, R. W.

    2016-12-21

    Shock compression experiments in the few hundred GPa (multi-Mbar) regime were performed on Lithium Deuteride single crystals. This study utilized the high velocity flyer plate capability of the Sandia Z Machine to perform impact experiments at flyer plate velocities in the range of 17–32 km/s. Measurements included pressure, density, and temperature between ~190 and 570 GPa along the Principal Hugoniot—the locus of end states achievable through compression by large amplitude shock waves—as well as pressure and density of reshock states up to ~920 GPa. As a result, the experimental measurements are compared with density functional theory calculations, tabular equation of state models, and legacy nuclear driven results that have been reanalyzed using modern equations of state for the shock wave standards used in the experiments.

  7. Crystal structure of graphite under room-temperature compression and decompression

    SciTech Connect

    Wang, Yuejian; Panzik, Joseph E.; Kiefer, Boris; Lee, Kanani K.M.

    2012-10-23

    Recently, sophisticated theoretical computational studies have proposed several new crystal structures of carbon (e.g., bct-C{sub 4}, H-, M-, R-, S-, W-, and Z-carbon). However, until now, there lacked experimental evidence to verify the predicted high-pressure structures for cold-compressed elemental carbon at least up to 50 GPa. Here we present direct experimental evidence that this enigmatic high-pressure structure is currently only consistent with M-carbon, one of the proposed carbon structures. Furthermore, we show that this phase transition is extremely sluggish, which led to the observed broad x-ray diffraction peaks in previous studies and hindered the proper identification of the post-graphite phase in cold-compressed carbon.

  8. 1100 to 1500 K Slow Plastic Compressive Behavior of NiAl-xCr Single Crystals

    NASA Technical Reports Server (NTRS)

    Whittenberger, J. Daniel; Darolia, Ram

    2003-01-01

    The compressive properties of near <001> and <111> oriented NiAl-2Cr single crystals and near <011> oriented NiAl-6Cr samples have been measured between 1100 and 1500 K. The 2Cr addition produced significant solid solution strengthening in NiAl, and the <111> and <001> single crystals possessed similar strengths. The 6Cr crystals were not stronger than the 2Cr versions. At 1100 and 1200 K plastic flow in all three Cr-modified materials was highly dependent on stress with exponents > 10. The <011> oriented 6Cr alloy exhibited a stress exponent of about 8 at 1400 and 1500 K; whereas both <001> and <111> NiAl-2Cr crystals possessed stress exponents near 3 which is indicative of a viscous dislocation glide creep mechanism. While the Cottrell-Jaswon solute drag model predicted creep rates within a factor of 3 at 1500 K for <001>-oriented NiAl-2Cr; this mechanism greatly over predicted creep rates for other orientations and at 1400 K for <001> crystals.

  9. Experiments with phase transitions at very high pressure. [compressed solidifed gases, semiconductors, superconductors, and molecular crystals

    NASA Technical Reports Server (NTRS)

    Spain, I. L.

    1983-01-01

    Diamond cells were constructed for use to 1 Mbar. A refrigerator for cooling diamond cells was adapted for studies between 15 and 300 K. A cryostat for superconductivity studies between 1.5 to 300 K was constructed. Optical equipment was constructed for fluorescence, transmission, and reflectance studies. X-ray equipment was adapted for use with diamond cells. Experimental techniques were developed for X-ray diffraction studies using synchrotron radiation. AC susceptibility techniques were developed for detecting superconducting transitions. The following materials were studied: compressed solidified gases (Xe, Ar), semiconductors (Ge, Si, GaAs), superconductors (Nb3Ge, Nb3Si, Nb3As, CuCl), molecular crystals (I).

  10. Ultrafast tilting of the dispersion of a photonic crystal and adiabatic spectral compression of light pulses.

    PubMed

    Beggs, Daryl M; Krauss, Thomas F; Kuipers, L; Kampfrath, Tobias

    2012-01-20

    We demonstrate, by theory and experiment, the ultrafast tilting of the dispersion curve of a photonic-crystal waveguide following the absorption of a femtosecond pump pulse. By shaping the pump-beam cross section with a nanometric shadow mask, different waveguide eigenmodes acquire different spatial overlap with the perturbing pump, leading to a local flattening of the dispersion by up to 11%. We find that such partial mode perturbation can be used to adiabatically compress the spectrum of a light pulse traveling through the waveguide.

  11. Plasticity of Micrometer-Scale Single-Crystals in Compression: A Critical Review (PREPRINT)

    DTIC Science & Technology

    2008-10-01

    AFRL-RX-WP-TP-2008-4326 PLASTICITY OF MICROMETER-SCALE SINGLE- CRYSTALS IN COMPRESSION: A CRITICAL REVIEW (PREPRINT) Michael D. Uchic... Michael D. Uchic and Dennis M. Dimiduk (AFRL/RXLMD) Paul A. Shade (The Ohio State University) 5d. PROJECT NUMBER 4347 5e. TASK NUMBER RG 5f...a critical review    Michael  D. Uchic1, Paul A. Shade2, and Dennis M. Dimiduk1    1 Air Force Research Laboratory, Materials & Manufacturing

  12. Strain localization in <111> single crystals of Hadfield steel under compressive load

    NASA Astrophysics Data System (ADS)

    Astafurova, E. G.; Zakharova, G. G.; Melnikov, E. V.

    2010-07-01

    A study of strain localization under compression of <111> Hadfield steel single crystals at room temperature was done by light and transmission electron microscopy. At epsilon<1%, macro shear bands (MSB) form that have non-crystallographic and complex non-linear habit planes and are the results of the interaction of dislocation slip on conjugate slip planes. Mechanical twinning was experimentally found inside the MSB. After the stage of MSBs formation, deformation develops with high strain hardening coefficient and corresponds to interaction of slip and twinning inside as well as outside the MSBs.

  13. Temperature rise of installed FCC

    NASA Technical Reports Server (NTRS)

    Hankins, J. D.

    1976-01-01

    Report discusses temperature profiles of installed FCC for wood and tile surfaces. Three-conductor FCC was tested at twice nominal current-carrying capacity over bare floor and under carpet, with result indicating that temperature rise is not a linear function of current with FCC at this level.

  14. The FCC in Fiscal 1971.

    ERIC Educational Resources Information Center

    Federal Communications Commission, Washington, DC.

    Fiscal 1971 saw major actions by the Federal Communications Commission (FCC) in all areas of its jurisdiction. In broadcasting, the FCC proposed new renewal rules and policies and issued a number of significant rulings on Fairness Doctrine matters. A policy statement outlining FCC cable television plans was submitted to the Congress. In the common…

  15. The FCC and Broadcasting.

    ERIC Educational Resources Information Center

    Federal Communications Commission, Washington, DC.

    This report outlines the Federal Communications Commission's (FCC) regulatory authority over the licensing and operation of commercial, educational, and public broadcasting in the United States. Also described are rules and regulations governing the program content and advertising, in relation to the fairness doctrine, free speech, and public…

  16. Electrical impedance of FCC

    NASA Technical Reports Server (NTRS)

    Liu, Y. S.

    1972-01-01

    The electrical characteristics of FCC are investigated in the context of multiple transmission lines theory. Analytical expressions for the coefficients of capacitance of conductors in a single cable are obtained. Numerical values calculated with these expressions are in good agreement with experimental data. Crosstalk, attenuation constants and phase angles of the current and voltage in flat conductor cable are also calculated.

  17. Ginzburg-Landau-type multiphase field model for competing fcc and bcc nucleation.

    PubMed

    Tóth, G I; Morris, J R; Gránásy, L

    2011-01-28

    We address crystal nucleation and fcc-bcc phase selection in alloys using a multiphase field model that relies on Ginzburg-Landau free energies of the liquid-fcc, liquid-bcc, and fcc-bcc subsystems, and determine the properties of the nuclei as a function of composition, temperature, and structure. With a realistic choice for the free energy of the fcc-bcc interface, the model predicts well the fcc-bcc phase-selection boundary in the Fe-Ni system.

  18. Technique for compressing light intensity ranges utilizing a specifically designed liquid crystal notch filter

    DOEpatents

    Rushford, Michael C.

    1988-01-01

    A pin hole camera assembly for use in viewing an object having a relatively large light intensity range, for example a crucible containing molten metal in an atomic vapor laser isotope separation (AVLIS) system is disclosed herein. The assembly includes means for optically compressing the light intensity range appearing at its input sufficient to make it receivable and decipherable by a standard video camera. To accomplish this, the assembly utilizes the combination of interference filter and a liquid crystal notch filter. The latter which preferably includes a cholesteric liquid crystal arrangement is configured to pass light at all wavelengths, except a relatively narrow wavelength band which defines the filter's notch, and includes means for causing the notch to vary to at least a limited extent with the intensity of light at its light incidence surface.

  19. First principles calculation of the mechanical compression of two organic molecular crystals.

    PubMed

    Zerilli, Frank J; Kuklja, Maija M

    2006-04-20

    The mechanical compression curves for the organic molecular crystals 1,1-diamino-2,2-dinitroethylene and beta-octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (beta-HMX) are calculated using the Hartree-Fock approximation to the solutions of the many-body Schrödinger equation for a periodic system as implemented in the computer program CRYSTAL. No correction was made for basis set superposition error. The equilibrium lattice parameters are reproduced to within 1% of reported experimental values. Pressure values on the isotherm also agree well with reported experimental values. To obtain accurate results, the relaxation of all the atomic coordinates as well as the lattice parameters under a fixed volume constraint was required.

  20. Electromechanical properties of high coupling single crystals under large electric drive and uniaxial compression.

    PubMed

    Amin, Ahmed

    2005-10-01

    This work investigates the 33-mode electromechanical response of relaxor-ferroelectric lead magnesium niobate-lead titanate (PMN-PT) single crystals when driven with large fields approximately 0.4 MV/m under a combined direct current (DC) field and mechanical bias similar to those used in the design of sound projectors. It demonstrates that the remarkable small signal length extensional coupling (k33 > 0.90) and other electromechanical properties of morphotropic PMN-PT single crystals prevail under large drive. The observed k33 roll-off at 42 MPa compressive stress is analyzed in terms of the recent structural data and the high-order Devonshire theory of possible ferroelectric-ferroelectric transition trajectories.

  1. Negative linear compressibility in a crystal of α-BiB3O6

    NASA Astrophysics Data System (ADS)

    Kang, Lei; Jiang, Xingxing; Luo, Siyang; Gong, Pifu; Li, Wei; Wu, Xiang; Li, Yanchun; Li, Xiaodong; Chen, Chuangtian; Lin, Zheshuai

    2015-08-01

    Negative linear compressibility (NLC), a rare and important mechanical effect with many application potentials, in a crystal of α-BiB3O6 (BIBO) is comprehensively investigated using first-principles calculations and high-pressure synchrotron X-ray diffraction experiments. The results indicate that the BIBO crystal exhibits the second largest NLC among all known inorganic materials over a broad pressure range. This unusual NLC behaviour is due to the rotation and displacement of the rigid [BO3] and [BO4] building units that result in hinge motion in an umbrella-like topology. More importantly, the parallel-polar lone-pair electrons on the Bi3+ cations act as “umbrella stands” to withstand the B-O hinges, thus significantly enhancing the NLC effect. BIBO presents a unique example of a “collapsible umbrella” mechanism for achieving NLC, which could be applied to other framework materials with lone-pair electrons.

  2. Growth of defect-free colloidal hard-sphere crystals using colloidal epitaxy

    NASA Astrophysics Data System (ADS)

    Dasgupta, Tonnishtha; Edison, John R.; Dijkstra, Marjolein

    2017-02-01

    Using event-driven Brownian dynamics simulations, we investigate the epitaxial growth of hard-sphere crystals with a face-centered-cubic (fcc) structure on the three densest cross-sectional planes of the fcc: (i) fcc (100), (ii) fcc (111), and (iii) fcc (110). We observe that for high settling velocities, large fcc crystals with very few extended defects grow on the fcc (100) template. Our results show good agreement with the experiments of Jensen et al. [Soft Matter 9, 320 (2013)], who observed such large fcc crystals upon centrifugation on an fcc (100) template. We also compare the quality of the fcc crystal formed on the fcc (111) and fcc (110) templates with that of the fcc (100) template and conclude that the latter yields the best crystal. We also briefly discuss the dynamical behavior of stacking faults that occur in the sediments.

  3. Growth of defect-free colloidal hard-sphere crystals using colloidal epitaxy.

    PubMed

    Dasgupta, Tonnishtha; Edison, John R; Dijkstra, Marjolein

    2017-02-21

    Using event-driven Brownian dynamics simulations, we investigate the epitaxial growth of hard-sphere crystals with a face-centered-cubic (fcc) structure on the three densest cross-sectional planes of the fcc: (i) fcc (100), (ii) fcc (111), and (iii) fcc (110). We observe that for high settling velocities, large fcc crystals with very few extended defects grow on the fcc (100) template. Our results show good agreement with the experiments of Jensen et al. [Soft Matter 9, 320 (2013)], who observed such large fcc crystals upon centrifugation on an fcc (100) template. We also compare the quality of the fcc crystal formed on the fcc (111) and fcc (110) templates with that of the fcc (100) template and conclude that the latter yields the best crystal. We also briefly discuss the dynamical behavior of stacking faults that occur in the sediments.

  4. The elastic properties and stability of fcc-Fe and fcc-FeNi alloys at inner-core conditions

    NASA Astrophysics Data System (ADS)

    Martorell, Benjamí; Brodholt, John; Wood, Ian G.; Vočadlo, Lidunka

    2015-07-01

    The agreement between shear wave velocities for the Earth's inner core observed from seismology with those derived from mineral physics is considerably worse than for any other region of the Earth. Furthermore, there is still debate as to the phase of iron present in the inner core, particularly when alloying with nickel and light elements is taken into account. To investigate the extent to which the mismatch between seismology and mineral physics is a function of either crystal structure and/or the amount of nickel present, we have used ab initio molecular dynamics simulations to calculate the elastic constants and seismic velocities (Vp and Vs) of face centred cubic (fcc) iron at Earth's inner core pressures (360 GPa) and at temperatures up to ˜7000 K. We find that Vp for fcc iron (fcc-Fe) is very similar to that for hexagonal close packed (hcp) iron at all temperatures. In contrast, Vs for fcc-Fe is significantly higher than in hcp-Fe, with the difference increasing with increasing temperature; the difference between Vs for the core (from seismology) and Vs for fcc-Fe exceeds 40 per cent. These results are consistent with previous work at lower temperatures. We have also investigated the effect of 6.5 and 13 atm% Ni in fcc-Fe. We find that Ni only slightly reduces Vp and Vs (e.g. by 2 per cent in Vs for 13 atm% Ni at 5500 K), and cannot account for the difference between the velocities observed in the core and those of pure fcc-Fe. We also tried to examine pre-melting behaviour in fcc-Fe, as reported in hcp-Fe by extending the study to very high temperatures (at which superheating may occur). However, we find that fcc-Fe spontaneously transforms to other hcp-like structures before melting; two hcp-like structures were found, both of hexagonal symmetry, which may most easily be regarded as being derived from an hcp crystal with stacking faults. That the structure did not transform to a true hcp phase is likely as a consequence of the limited size of the

  5. Synthesis of 4H/fcc-Au@Metal Sulfide Core-Shell Nanoribbons.

    PubMed

    Fan, Zhanxi; Zhang, Xiao; Yang, Jian; Wu, Xue-Jun; Liu, Zhengdong; Huang, Wei; Zhang, Hua

    2015-09-02

    Although great advances on the synthesis of Au-semiconductor heteronanostructures have been achieved, the crystal structure of Au components is limited to the common face-centered cubic (fcc) phase. Herein, we report the synthesis of 4H/fcc-Au@Ag2S core-shell nanoribbon (NRB) heterostructures from the 4H/fcc Au@Ag NRBs via the sulfurization of Ag. Remarkably, the obtained 4H/fcc-Au@Ag2S NRBs can be further converted to a novel class of 4H/fcc-Au@metal sulfide core-shell NRB heterostructures, referred to as 4H/fcc-Au@MS (M = Cd, Pb or Zn), through the cation exchange. We believe that these novel 4H/fcc-Au@metal sulfide NRB heteronanostructures may show some promising applications in catalysis, surface enhanced Raman scattering, solar cells, photothermal therapy, etc.

  6. Two techniques for temporal pulse compression in gas-filled hollow-core kagomé photonic crystal fiber.

    PubMed

    Mak, K F; Travers, J C; Joly, N Y; Abdolvand, A; Russell, P St J

    2013-09-15

    We demonstrate temporal pulse compression in gas-filled kagomé hollow-core photonic crystal fiber (PCF) using two different approaches: fiber-mirror compression based on self-phase modulation under normal dispersion, and soliton effect self-compression under anomalous dispersion with a decreasing pressure gradient. In the first, efficient compression to near-transform-limited pulses from 103 to 10.6 fs was achieved at output energies of 10.3 μJ. In the second, compression from 24 to 6.8 fs was achieved at output energies of 6.6 μJ, also with near-transform-limited pulse shapes. The results illustrate the potential of kagomé-PCF for postprocessing the output of fiber lasers. We also show that, using a negative pressure gradient, ultrashort pulses can be delivered directly into vacuum.

  7. Twinning in nanocrystalline fcc and bcc metals

    NASA Astrophysics Data System (ADS)

    Boyko, Vladimir S.; Kezerashvili, Roman Ya.

    2013-03-01

    The deformation twinning in nanocrystalline (nc) face-centered cubic (fcc) metals, body-centered cubic (bcc) metals, and in nc Si is analyzed. The phenomenological approach is used to make a bridge between microscopical mechanisms of twin nucleation and macroscopical characteristics of twinning with different crystal structures and to calculate the grain size range of the twinning propensity, the requisite external stress for twinning propagation in nc polycrystals, and the grain size at which the slip begins to prevail over the twinning. The developed approach allows to derive analytical expressions and estimate lower and and upper limits of grain sizes at which a twinning propensity is occurred. Results of calculations for the nc fcc metals Al, Cu, Ni, Pd, Au, nc bcc metals Ta, Fe, Mo, W, Nb, and nc diamond-cubic Si are compared with the experimental data, otherwise predictions are made.

  8. Phase field theory of interfaces and crystal nucleation in a eutectic system of fcc structure: II. Nucleation in the metastable liquid immiscibility region.

    PubMed

    Tóth, Gyula I; Gránásy, László

    2007-08-21

    In the second part of our paper, we address crystal nucleation in the metastable liquid miscibility region of eutectic systems that is always present, though experimentally often inaccessible. While this situation resembles the one seen in single component crystal nucleation in the presence of a metastable vapor-liquid critical point addressed in previous works, it is more complex because of the fact that here two crystal phases of significantly different compositions may nucleate. Accordingly, at a fixed temperature below the critical point, six different types of nuclei may form: two liquid-liquid nuclei: two solid-liquid nuclei; and two types of composite nuclei, in which the crystalline core has a liquid "skirt," whose composition falls in between the compositions of the solid and the initial liquid phases, in addition to nuclei with concentric alternating composition shells of prohibitively high free energy. We discuss crystalline phase selection via exploring/identifying the possible pathways for crystal nucleation.

  9. Shock compression and release of a-axis magnesium single crystals: Anisotropy and time dependent inelastic response

    NASA Astrophysics Data System (ADS)

    Renganathan, P.; Winey, J. M.; Gupta, Y. M.

    2017-01-01

    To gain insight into inelastic deformation mechanisms for shocked hexagonal close-packed (hcp) metals, particularly the role of crystal anisotropy, magnesium (Mg) single crystals were subjected to shock compression and release along the a-axis to 3.0 and 4.8 GPa elastic impact stresses. Wave profiles measured at several thicknesses, using laser interferometry, show a sharply peaked elastic wave followed by the plastic wave. Additionally, a smooth and featureless release wave is observed following peak compression. When compared with wave profiles measured previously for c-axis Mg [Winey et al., J. Appl. Phys. 117, 105903 (2015)], the elastic wave amplitudes for a-axis Mg are lower for the same propagation distance, and less attenuation of elastic wave amplitude is observed for a given peak stress. The featureless release wave for a-axis Mg is in marked contrast to the structured features observed for c-axis unloading. Numerical simulations, using a time-dependent anisotropic modeling framework, showed that the wave profiles calculated using prismatic slip or (10 1 ¯ 2 ) twinning, individually, do not match the measured compression profiles for a-axis Mg. However, a combination of slip and twinning provides a good overall match to the measured compression profiles. In contrast to compression, prismatic slip alone provides a reasonable match to the measured release wave profiles; (10 1 ¯ 2 ) twinning due to its uni-directionality is not activated during release. The experimental results and wave profile simulations for a-axis Mg presented here are quite different from the previously published c-axis results, demonstrating the important role of crystal anisotropy in the time-dependent inelastic deformation of Mg single crystals under shock compression and release.

  10. Shock compression and release of a-axis magnesium single crystals: Anisotropy and time dependent inelastic response

    DOE PAGES

    Renganathan, P.; Winey, J. M.; Gupta, Y. M.

    2017-01-19

    Here, to gain insight into inelastic deformation mechanisms for shocked hexagonal close-packed (hcp) metals, particularly the role of crystal anisotropy, magnesium (Mg) single crystals were subjected to shock compression and release along the a-axis to 3.0 and 4.8 GPa elastic impact stresses. Wave profiles measured at several thicknesses, using laser interferometry, show a sharply peaked elastic wave followed by the plastic wave. Additionally, a smooth and featureless release wave is observed following peak compression. When compared to wave profiles measured previously for c-axis Mg, the elastic wave amplitudes for a-axis Mg are lower for the same propagation distance, and less attenuation of elastic wave amplitude is observed for a given peak stress. The featureless release wave for a-axis Mg is in marked contrast to the structured features observed for c-axis unloading. Numerical simulations, using a time-dependent anisotropic modeling framework, showed that the wave profiles calculated using prismatic slip or (10more » $$\\bar{1}$$2) twinning, individually, do not match the measured compression profiles for a-axis Mg. However, a combination of slip and twinning provides a good overall match to the measured compression profiles. In contrast to compression,prismatic slip alone provides a reasonable match to the measured release wave profiles; (10$$\\bar{1}$$2) twinning due to its uni-directionality is not activated during release. The experimental results and wave profile simulations for a-axis Mg presented here are quite different from the previously published c-axis results, demonstrating the important role of crystal anisotropy on the time-dependent inelastic deformation of Mg single crystals under shock compression and release.« less

  11. Surface and crystalline analysis of aluminum oxide single crystal treated by quasistationary compression plasma flow

    SciTech Connect

    Maletic, S.; Popovic, D.M.; Cubrovic, V.; Zekic, A.A.; Dojcilovic, J.

    2012-04-15

    Highlights: Black-Right-Pointing-Pointer The effects of treatment of Al{sub 2}O{sub 3} (0001) surface by CPF are analyzed. Black-Right-Pointing-Pointer Oriented low-dimensional structures are occurred for the treated Al{sub 2}O{sub 3} crystal. Black-Right-Pointing-Pointer The dimension of these ripples are 1 {mu}m and the distance between them is about 10 {mu}m. Black-Right-Pointing-Pointer The ripple-shaped structures contain a higher percentage of oxygen than the surroundings. Black-Right-Pointing-Pointer Results could promote CPF as a tool for producing organized oxygen-rich structures. -- Abstract: Material such as aluminum oxide (Al{sub 2}O{sub 3}) is important in electronics industry. On the other hand, plasma is one of the most efficient and sophisticated tools for materials processing. In this work a treatment of Al{sub 2}O{sub 3} (0001) surface by quasistationary compression plasma flow (CPF) is analyzed in detail. Offline metrology was performed using dielectric measurements, X-ray diffraction (XRD), scanning electron microscopy (SEM) equipped with energy-dispersive X-ray spectroscopy (EDX) and atomic force microscopy (AFM). Oriented low-dimensional periodic structures are occurred for the plasma treated Al{sub 2}O{sub 3} single crystal. In the paper is reported that these oriented ripple-shaped structures contain a higher percentage of oxygen than the surrounding crystal surface. This could be the framework for usage of CPF as a tool in manufacturing of surfaces containing the highly organized oxygen-rich structures.

  12. Commercial FCC License Study Guide.

    ERIC Educational Resources Information Center

    Swearer, Harvey F.

    Jobs in radio arts, from serviceman to station engineer, are easier to get if one has a recommendation of the U.S. Government in the form of a license from the Federal Communications Commission (FCC). This study guide for FCC radiotelephone licenses is designed to thoroughly prepare the applicant for any radiotelephone exam and to serve as a…

  13. The FCC: A Research Tool.

    ERIC Educational Resources Information Center

    Wilson, Paul

    The numerous forms filed with the Federal Communications Commission (FCC) provide information about a variety of topics. Basic licensing information that is available concerns engineering, ownership, and equal employment opportunity. The FCC's broadcast bureau collects information about programing, the ascertainment of community needs, public…

  14. Virus-mediated FCC iron nanoparticle induced synthesis of uranium dioxide nanocrystals.

    PubMed

    Ling, Tao; Yu, Huimin; Shen, Zhongyao; Wang, Hui; Zhu, Jing

    2008-03-19

    A reducing system involving M13 virus-mediated FCC Fe nanoparticles was employed to achieve uranium reduction and synthesize uranium dioxide nanocrystals. Here we show that metastable face-centered cubic (FCC) Fe nanoparticles were fabricated around the surface of the M13 virus during the specific adsorption of the virus towards Fe ions under a reduced environment. The FCC phase of these Fe nanoparticles was confirmed by careful TEM characterization. Moreover, this virus-mediated FCC Fe nanoparticle system successfully reduced contaminable U(VI) into UO(2) crystals with diameters of 2-5 nm by a green and convenient route.

  15. Real time synchrotron x-ray diffraction measurements to determine material strength of shocked single crystals following compression and release

    SciTech Connect

    Turneaure, Stefan J.; Gupta, Y.M.

    2009-09-15

    We present a method to use real time, synchrotron x-ray diffraction measurements to determine the strength of shocked single crystals following compression and release during uniaxial strain loading. Aluminum and copper single crystals shocked along [111] were examined to peak stresses ranging from 2 to 6 GPa. Synchrotron x rays were used to probe the longitudinal lattice strains near the rear free surface (16 and 5 {micro}m depths for Al and Cu, respectively) of the metal crystals following shock compression and release. The 111 diffraction peaks showed broadening indicating a heterogeneous microstructure in the released state. The diffraction peaks also shifted to lower Bragg angles relative to the ambient Bragg angle; the magnitude of the shift increased with increasing impact stress. The Bragg angle shifts and appropriate averaging procedures were used to determine the macroscopic or continuum strength following compression and release. For both crystals, the strengths upon release increased with increasing impact stress and provide a quantitative measure of the strain hardening that occurs in Al(111) and Cu(111) during the shock and release process. Our results for Al(111) are in reasonable agreement with a previous determination based solely on continuum measurements. Two points are noteworthy about the developments presented here: Synchrotron x rays are needed because they provide the resolution required for analyzing the data in the released state; the method presented here can be extended to the shocked state but will require additional measurements.

  16. Compressive shear reactive dynamics to evaluate the anisotropic sensitivity of single-crystal energetic materials

    NASA Astrophysics Data System (ADS)

    Zybin, Sergey; Xu, Peng; Liu, Yi; Goddard, William, III

    2009-06-01

    Complex coupling between mechanical, thermal, and chemical effects are at the heart of many important but not understood phenomena, including the shock sensitivity of materials to detonation. We propose a general protocol (Compressive Shear Reactive Dynamics, CS-RD) for predicting the mechanic, thermal, and chemical processes and show that this protocol predicts correctly the relative sensitivities observed experimentally for single crystal PETN [C(CH2ONO2)4]. We find that sensitive directions lead to close molecular contacts (steric hindrance) resulting in severe deformation that leads to large stress overshoots and increases in temperature that results in bond-breaking processes whereas insensitive directions exhibit little distortion or stress overshoot, delayed temperature increases and less dissociation. This insight that a planar shock fails because of shear in a plane oblique from the shock direction and that the essential features controlling the failure mechanisms must be sought in this shear phenomena should be useful in elucidating the mechanisms for more complex multigranular multicomponent systems including defects and it may be useful for other complex collision phenomena.

  17. Crystal structure of HgGa{sub 2}Se{sub 4} under compression

    SciTech Connect

    Gomis, Oscar; Vilaplana, Rosario; Manjón, Francisco Javier; Santamaría-Pérez, David [Departamento de Química Física I, Universidad Complutense de Madrid, MALTA Consolider Team, Avenida Complutense s Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universidad de Valencia, Edificio de Investigación, C Errandonea, Daniel [Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universidad de Valencia, Edificio de Investigación, C and others

    2013-06-01

    Highlights: ► Single crystals of HgGa{sub 2}Se{sub 4} with defect-chalcopyrite structure were synthesized. ► HgGa{sub 2}Se{sub 4} exhibits a phase transition to a disordered rock salt structure at 17 GPa. ► HgGa{sub 2}Se{sub 4} undergoes a phase transition below 2.1 GPa to a disordered zinc blende. - Abstract: We report on high-pressure x-ray diffraction measurements up to 17.2 GPa in mercury digallium selenide (HgGa{sub 2}Se{sub 4}). The equation of state and the axial compressibilities for the low-pressure tetragonal phase have been determined and compared to related compounds. HgGa{sub 2}Se{sub 4} exhibits a phase transition on upstroke toward a disordered rock-salt structure beyond 17 GPa, while on downstroke it undergoes a phase transition below 2.1 GPa to a phase that could be assigned to a metastable zinc-blende structure with a total cation-vacancy disorder. Thermal annealing at low- and high-pressure shows that kinetics plays an important role on pressure-driven transitions.

  18. Dynamic mechanical response of magnesium single crystal under compression loading: Experiments, model, and simulations

    NASA Astrophysics Data System (ADS)

    Li, Qizhen

    2011-05-01

    Magnesium single crystal samples are compressed at room temperature under quasistatic (˜0.001 s-1) loading in a universal testing machine and dynamic (430, 1000, and 1200 s-1) loading in a split Hopkinson pressure bar system. Stress-strain curves show that (a) the fracture strain slightly increases with the strain rate; and (b) the maximum strength and strain hardening rate increase significantly when the testing changes from quasistatic to dynamic, although they do not vary much when the strain rate for dynamic testing varies in the range of 430-1200 s-1. The operation of the secondary pyramidal slip system is the dominating deformation mechanism, which leads to a fracture surface with an angle of ˜42° with respect to the loading axial direction. A theoretical material model based on Johnson-Cook law is also derived. The model includes the strain hardening and strain rate hardening terms, and provides the stress-strain relations matching with the experimental results. Finite element simulations for the strain rates used in the experiments predict the mechanical responses of the material that agree well with the experimental data.

  19. Direct nanomechanical measurement of layer thickness and compressibility of smectic liquid crystals.

    PubMed

    Carbone, Giovanni; Zappone, Bruno; Barberi, Riccardo; Bartolino, Roberto; Musevic, Igor

    2011-05-01

    Using an atomic force microscope (AFM) we confined a smectic-A liquid crystal (LC) between a flat glass plate and a 10-μm glass sphere attached to the free end of the AFM cantilever. Both surfaces were treated with a surfactant that induces normal alignment of the LC molecules. We measured the force F acting on the cantilever while varying the plate-sphere distance D with subnanometer precision. For D < 50 nm, the force was periodically oscillating and decayed as D was increased. Analyzing the force in the framework of a simple model of elastic deformation of the smectic layers, we have evaluated the undeformed layer thickness a(0) and compressibility modulus B. Compared to other techniques used to determine a(0) and B, AFM measurements are faster and require a much smaller amount (microliters) of LC. Moreover, they are based on purely mechanical deformations of the LC structure and do not require any static or radiative electromagnetic field.

  20. Structural transformation between bcc and fcc in Fe-Ni nanoparticle during heating process

    NASA Astrophysics Data System (ADS)

    Li, Guojian; Sui, Xudong; Qin, Xuesi; Ma, Yonghui; Wang, Kai; Wang, Qiang

    2016-10-01

    Phase transformation between bcc and fcc in Fe-Ni nanoparticle has been studied by using molecular dynamics simulation with an embedded atom method. The transformation has been explored by designing the nanoparticles with different initial structures, sizes and elemental distributions at various Ni concentrations. The results show that the structural transformation is strongly related to the Ni content and elemental distribution. Initial fcc structure transforms to bcc for a lower Ni content and bcc transforms to fcc for a higher Ni content. The transformation is accompanied with a sharp reduction in energy even for the nanoparticle with a large size. Furthermore, lattice distortion first occurs before the transformation. The transformation from fcc to bcc is occurred by elongating fcc (100) to bcc (110) and that from bcc to fcc by compressing bcc (110) to fcc (100). The reason is that the nanoparticle has a low energy state for bcc structure with a lower Ni content and also for fcc structure with a higher Ni content. The coexistence of bcc and fcc phases appears with the change of elemental distribution.

  1. Microstructure evolution and strain localization in Cu and Cu-8Al single crystals subjected to channel-die compression.

    PubMed

    Lewandowska, Małgorzata; Swiatnicki, Wiesław; Piatkowski, Andrzej; Jasienski, Zdzisław

    2006-09-01

    Single crystals of pure Cu and Cu-8%Al with two initial orientations, {112}111 and {112}110, were subjected to monotonic compression in channel-die at room temperature (293 K). The dislocation microstructure and local crystallography were investigated by transmission electron microscopy after different amounts of deformation. Various factors, such as initial single crystal orientation, chemical composition and amount of plastic deformation, were analysed in order to determine their influence on the microstructure evolution, local orientation variations and strain localization phenomena.

  2. Status and availability of FCC hardware

    NASA Technical Reports Server (NTRS)

    Romriell, G. K.

    1973-01-01

    The source availability of FCC and/or FCC connectors was surveyed. The results for the following areas are presented: (1) cost of FCC versus standard round cable, (2) qualification status, (3) size of wire available in FCC, (4) availability of hermetic connectors for FCC, (5) conversion from flat cable to round cable and visa versa, (6) availability of shielded flat cable for RF usage, (7) termination techniques, and (8) repair techniques.

  3. Nucleation of fcc Ta when heating thin films

    DOE PAGES

    Janish, Matthew T.; Mook, William M.; Carter, C. Barry

    2014-10-25

    Thin tantalum films have been studied during in-situ heating in a transmission electron microscope. Diffraction patterns from the as-deposited films were typical of amorphous materials. Crystalline grains were observed to form when the specimen was annealed in-situ at 450°C. Particular attention was addressed to the formation and growth of grains with the face-centered cubic (fcc) crystal structure. As a result, these observations are discussed in relation to prior work on the formation of fcc Ta by deformation and during thin film deposition.

  4. Ferromagnetic Fe on Cu(001) throughout the fcc-like phase: arguing from the viewpoint of the electronic structure.

    PubMed

    Donath, M; Pickel, M; Schmidt, A B; Weinelt, M

    2009-04-01

    The scientific enthusiasm for ultrathin Fe films on Cu(001) has now lasted for more than 20 years. Is there ferromagnetic iron with a face-centred cubic (fcc) structure? Does ferromagnetism in Fe hinge on the body-centred cubic (bcc) structure? In this contribution, we try to establish that the electron system gives evidence of ferromagnetic behaviour with fcc-like electronic bands. We examine a crystal-induced surface state, which is characteristic of fcc surface order. Furthermore, we compare electronic signatures of fcc and bcc: the d-band exchange splitting, image-potential-state energies and the work function. We conclude that, from the viewpoint of the electronic structure, Fe on Cu(001) is found to be ferromagnetic throughout the fcc-like phase. This result raises a new question: how much deviation from the relaxed fcc order is acceptable without losing the electronic signature of fcc?

  5. Controlled FCC/on-top binding of H/Pt(111) using surface stress

    NASA Astrophysics Data System (ADS)

    Shuttleworth, I. G.

    2016-08-01

    The preferred binding site of H/Pt(111) has been shown to be change from the on-top to FCC as the Pt(111) surface goes approximately from a state of compressive to tensile strain. A chemical analysis of the system has shown that for both FCC and on-top bound cases the H ssbnd Pt s and H ssbnd Pt d interactions have a similar importance in determining the preferred binding position. It has been seen that FCC-bound H forms a distinct state below the Pt d-band, whereas the on-top bound H does not.

  6. Single crystal plastic behavior of a single-phase, face-center-cubic-structured, equiatomic FeNiCrCo alloy

    DOE PAGES

    Wu, Zhenggang; Gao, Y. F.; Bei, Hongbin

    2015-07-25

    To understand the fundamental deformation mechanisms of compositionally complex alloys, single crystals of a multi-component equiatomic FeNiCoCr alloy with face-centered cubic (FCC) structure were grown for mechanical studies. Similarly to typical FCC pure metals, slip trace analyses indicate that dislocation slips take place on (1 1 1) planes along [11¯0] directions. The critical resolved shear stress (CRSS) obeys the Schmid law at both 77 and 293 K, and tension–compression asymmetry is not observed. Although this material slips in a normal FCC manner both at 293 and 77 K, compared to typical FCC metals the CRSS’s strong temperature dependence is abnormal.

  7. Deformation mechanisms of olivine single crystals compressed at 300 MPa and 800-1100°C

    NASA Astrophysics Data System (ADS)

    Cordier, Patrick; Demouchy, Sylvie; Mussi, Alexandre; Tommasi, Andrea

    2013-04-01

    Rheology of mantle rocks at lithospheric temperatures remains poorly constrained, since most experimental studies on creep mechanisms of olivine single crystals ((MgFe)2SiO4, Pbnm) and polycrystalline olivine aggregates were performed at high-temperatures (T >> 1200oC). In this study, we have performed deformation experiments on oriented single crystals of San Carlos olivine and polycrystalline olivine aggregate at temperatures relevant of the uppermost mantle (ranging from 800o to 1090oC) in tri-axial compression. The experiments were carried out at a confining pressure of 300 MPa in a high-resolution gas-medium mechanical testing apparatus at various constant strain rates (from 7 × 10-6 s-1 to 1 × 10-4 s-1). Mechanical tests yield differential stresses ranging from 88 to 1076 MPa. All samples were deformed at constant displacement rate and for finite strains ranging from 4 to 23 %, to provide insight into possible effects of hardening, softening or stick-and-slip. The single crystals were compressed along several crystallographic directions to test the possibility of activating different slip systems (e.g. [100](001), [001](100), [001](010) and [100](010)). We will present the characterization of the dislocation microstructures performed in the TEM.

  8. FCC-ee: Energy Calibration

    SciTech Connect

    Koratzinos, M.; Blondel, A.; Gianfelice-Wendt, E.; Zimmermann, F.

    2015-06-02

    The FCC-ee aims to improve on electroweak precision measurements, with goals of 100 ke V on the Z mass and width, and a fraction of MeV on the W mass. Compared to LEP, this implies a much improved knowledge of the center-of-mass energy when operating at the Z peak and WW threshold. This can be achieved by making systematic use of resonant depolarization. A number of issues have been identified, due in particular to the long polarization times. However the smaller emittance and energy spread of FCC-ee with respect to LEP should help achieve a much improved performance.

  9. The Mechanism of Orientation Dependence of Cyclic Stability of Superelesticity in NiFeGaCo Single Crystals Under Compression

    NASA Astrophysics Data System (ADS)

    Timofeeva, E. E.; Panchenko, E. Yu.; Vetoshkina, N. G.; Chumlyakov, Yu. I.; Tagiltsev, A. I.; Eftifeeva, A. S.; Maier, H.

    2016-12-01

    Using single crystals of the Ni49Fe18Ga27Co6 (at.%) alloy, oriented along [001]- and [123]-directions, cyclic stability of superelasticity is investigated in isothermal loading/unloading cycles at T = Af +(12-15) K (100 cycles) under compressive stress as a function of given strain per cycle, presence of disperse γ-phase particles measuring 5-10 μm, austenitic (B2 or L21) and stress-induced martensitic crystal structure (14M or L10). It is shown that single-phase L21-crystals demonstrate high cyclic stability during L21-14M-transitions with narrow hysteresises Δσ < 50 MPa in the absence of detwinning of the martensite. During the development of L21-14M stress-induced transformation, the reversible energy ΔGrev for these crystals exceeds the dissipated energy ΔGirr, and ΔGrev/ΔGirr = 1.7-1.8. A significant degradation of superelasticity is observed in [123]-oriented crystals during the development of L21-14M-L10-transformations followed by detwinning of the L10-martensite crystals and heterophase (B2+γ) single crystals, irrespective of their orientation during the B2-L10-transition. In the latter case, martensitic transformations are characterized by a wide stress hysteresis Δσ ≥ 80 MPa and the dissipated energy exceeds the reversible energy ΔGrev/ΔGirr = 0.5. The empirical criterion, relying on the analysis of the reversible-to-irreversible energy ratio, ΔGrev/ΔGirr, during stressinduced martensitic transformations, can be used to predict the cyclic stability of superelasticity in NiFeGaCo alloys subjected to different types of heat treatment.

  10. An electron microscopy study of dislocation structures in Mg single crystals compressed along [0 0 0 1] at room temperature

    SciTech Connect

    Kumar, K. S.; Chisholm, Matthew F.; Geng, J.; Mishra, R. K.

    2016-01-09

    We compressed Mg single crystals along [0 0 0 1] at room temperature to various stress levels (40, 80, 120, 160 and 320 MPa) and the evolution of dislocation structure with stress increment was investigated by TEM slip is confirmed to be the dominant deformation mode; the predominance of edge dislocation debris lying along the <1 0 $\\bar{1}$ 0> implies that screw dislocations are more mobile than their edge counterpart. The edge dislocation may dissociate into and dislocations, and the latter can extend further on the basal plane and bound a basal-stacking fault.

  11. An electron microscopy study of dislocation structures in Mg single crystals compressed along [0 0 0 1] at room temperature

    DOE PAGES

    Kumar, K. S.; Chisholm, Matthew F.; Geng, J.; ...

    2016-01-09

    We compressed Mg single crystals along [0 0 0 1] at room temperature to various stress levels (40, 80, 120, 160 and 320 MPa) and the evolution of dislocation structure with stress increment was investigated by TEM slip is confirmed to be the dominant deformation mode; the predominance of edge dislocation debris lying along the <1 0more » $$\\bar{1}$$ 0> implies that screw dislocations are more mobile than their edge counterpart. The edge dislocation may dissociate into and dislocations, and the latter can extend further on the basal plane and bound a basal-stacking fault.« less

  12. FCC, CATV, ETV, and ITFS.

    ERIC Educational Resources Information Center

    Schwartz, Louis; Woods, Robert A.

    Actions taken in 1970 by the Federal Communications Commission (FCC) are reviewed and discussed in this paper. These actions include amendment of educational broadcast rules for the first time in 17 years, decisions in the area of educational programing, a decision regarding the ultra high frequency (UHF)-land mobile dilemma, and a promise to…

  13. FCC and the Sunshine Act.

    ERIC Educational Resources Information Center

    Weiss, Kenneth

    The Sunshine Act, designed to encourage open meetings to increase public understanding of the governmental decision-making process, went into effect in March 1977. A total of 50 agencies, including the Federal Communications Commission (FCC), are subject to the provisions of the Sunshine Act. The act lists 10 exemptions, any of which can result in…

  14. Three-Dimensional Crystal Plasticity Finite Element Simulation of Hot Compressive Deformation Behaviors of 7075 Al Alloy

    NASA Astrophysics Data System (ADS)

    Li, Lei-Ting; Lin, Y. C.; Li, Ling; Shen, Lu-Ming; Wen, Dong-Xu

    2015-03-01

    Three-dimensional crystal plasticity finite element (CPFE) method is used to investigate the hot compressive deformation behaviors of 7075 aluminum alloy. Based on the grain morphology and crystallographic texture of 7075 aluminum alloy, the microstructure-based representative volume element (RVE) model was established by the pole figure inversion approach. In order to study the macroscopic stress-strain response and microstructural evolution, the CPFE simulations are performed on the established microstructure-based RVE model. It is found that the simulated stress-strain curves and deformation texture well agree with the measured results of 7075 aluminum alloy. With the increasing deformation degree, the remained initial weak Goss texture component tends to be strong and stable, which may result in the steady flow stress. The grain orientation and grain misorientation have significant effects on the deformation heterogeneity during hot compressive deformation. In the rolling-normal plane, the continuity of strain and misorientation can maintain across the low-angle grain boundaries, while the discontinuity of strain and misorientation is observed at the high-angle grain boundaries. The simulated results demonstrate that the developed CPFE model can well describe the hot compressive deformation behaviors of 7075 aluminum alloy under elevated temperatures.

  15. Structure and Magnetism in fcc Magnetic Metals on (001) Diamond

    NASA Astrophysics Data System (ADS)

    Wolf, J. A.; Krebs, J. J.; Idzerda, Y. U.; Prinz, G. A.; Kemner, K. M.

    1996-03-01

    We have prepared single crystal face centered cubic (fcc) magnetic transition metal films (Co, Ni, Fe) on (001) diamonds, the thickness of the films varying from ~1nm to over 100nm. The crystalline quality and fourfold symmetry of these layers was monitored in-situ during film growth with RHEED and a chemical analysis was performed using Auger spectroscopy. In addition, the structure of the samples was investigated ex-situ using X-ray diffraction and EXAFS, demonstrating the single crystal, fcc (001) structure throughout the entire film. The magnetic characterization of the Co-, Ni- and Fe-films was carried out with Ferromagnetic Resonance (FMR) and Superconducting Quantum Interference Device (SQUID) hysteresis loops, yielding information on the cubic anisotropy constant K_1, the magnetic moment M and the magnetization reversal. The Co displays extremely high quality growth and magnetic characteristics up to thicknesses well in excess of 100nm, while the Ni is tetragonally distorted resulting in an out-of-plane anisotropy component. The fcc Fe is only stable up to ~2nm before the transition to the bcc crystal structure starts.

  16. Molecular dynamics simulation on generalized stacking fault energies of FCC metals under preloading stress

    NASA Astrophysics Data System (ADS)

    Zhang, Liang; Cheng, Lü; Kiet, Tieu; Zhao, Xing; Pei, Lin-Qing; Guillaume, Michal

    2015-08-01

    Molecular dynamics (MD) simulations are performed to investigate the effects of stress on generalized stacking fault (GSF) energy of three fcc metals (Cu, Al, and Ni). The simulation model is deformed by uniaxial tension or compression in each of [111], [11-2], and [1-10] directions, respectively, before shifting the lattice to calculate the GSF curve. Simulation results show that the values of unstable stacking fault energy (γusf), stable stacking fault energy (γsf), and unstable twin fault energy (γutf) of the three elements can change with the preloaded tensile or compressive stress in different directions. The ratio of γsf/γusf, which is related to the energy barrier for full dislocation nucleation, and the ratio of γutf/γusf, which is related to the energy barrier for twinning formation are plotted each as a function of the preloading stress. The results of this study reveal that the stress state can change the energy barrier of defect nucleation in the crystal lattice, and thereby can play an important role in the deformation mechanism of nanocrystalline material. Project supported by Australia Research Council Discovery Projects (Grant No. DP130103973). L. Zhang, X. Zhao and L. Q. Pei were financially supported by the China Scholarship Council (CSC).

  17. Ultrafast visualization of crystallization and grain growth in shock-compressed SiO2

    DOE PAGES

    Gleason, A. E.; Bolme, C. A.; Lee, H. J.; ...

    2015-09-04

    Pressure- and temperature-induced phase transitions have been studied for more than a century but very little is known about the non-equilibrium processes by which the atoms rearrange. Shock compression generates a nearly instantaneous propagating high-pressure/temperature condition while in situ X-ray diffraction (XRD) probes the time-dependent atomic arrangement. Here we present in situ pump–probe XRD measurements on shock-compressed fused silica, revealing an amorphous to crystalline high-pressure stishovite phase transition. Using the size broadening of the diffraction peaks, the growth of nanocrystalline stishovite grains is resolved on the nanosecond timescale just after shock compression. At applied pressures above 18 GPa the nuclueationmore » of stishovite appears to be kinetically limited to 1.4±0.4 ns. The functional form of this grain growth suggests homogeneous nucleation and attachment as the growth mechanism. As a result, these are the first observations of crystalline grain growth in the shock front between low- and high-pressure states via XRD.« less

  18. Time-resolved Raman spectroscopy of shock compressed single crystal HMX

    NASA Astrophysics Data System (ADS)

    Scharff, R. J.; Whitley, V. H.; Stahl, D. B.; Dattelbaum, D. M.

    2009-06-01

    Shock initiation of an energetic organic solid is generally considered to proceed via a mechanism through which low frequency acoustic phonons are upconverted to higher frequency bond stretching vibrations in the crystal. To elucidate changes in molecular structure under shock loading, a series of well defined gas gun driven plate impact experiments coupled to time-resolved Raman spectroscopy were performed on single crystal β-HMX. We will also present progress in obtaining temperature measurements in the shocked material using a Stokes/anti-Stokes intensity ratio method.

  19. Design and fabrication of hollow-core photonic crystal fibers for high-power ultrashort pulse transportation and pulse compression.

    PubMed

    Wang, Y Y; Peng, Xiang; Alharbi, M; Dutin, C Fourcade; Bradley, T D; Gérôme, F; Mielke, Michael; Booth, Timothy; Benabid, F

    2012-08-01

    We report on the recent design and fabrication of kagome-type hollow-core photonic crystal fibers for the purpose of high-power ultrashort pulse transportation. The fabricated seven-cell three-ring hypocycloid-shaped large core fiber exhibits an up-to-date lowest attenuation (among all kagome fibers) of 40 dB/km over a broadband transmission centered at 1500 nm. We show that the large core size, low attenuation, broadband transmission, single-mode guidance, and low dispersion make it an ideal host for high-power laser beam transportation. By filling the fiber with helium gas, a 74 μJ, 850 fs, and 40 kHz repetition rate ultrashort pulse at 1550 nm has been faithfully delivered at the fiber output with little propagation pulse distortion. Compression of a 105 μJ laser pulse from 850 fs down to 300 fs has been achieved by operating the fiber in ambient air.

  20. Global well-posedness and decay of smooth solutions to the non-isothermal model for compressible nematic liquid crystals

    NASA Astrophysics Data System (ADS)

    Guo, Boling; Xi, Xiaoyu; Xie, Binqiang

    2017-02-01

    The Cauchy problem for the three-dimensional non-isothermal model for compressible nematic liquid crystals is considered. Existence of global-in-time smooth solutions is established provided that the initial datum is close to a steady state (ρ bar , 0 , d bar , θ bar). By using the Lq-Lp estimates and the Fourier splitting method, if the initial perturbation is small in H3-norm and bounded in Lq (q ∈ [ 1 ,6/5)) norm, we obtain the optimal decay rates for the first and second order spatial derivatives of solutions. In addition, the third and fourth order spatial derivatives of director field d in L2-norm are achieved.

  1. Dual-phase steel sheets under cyclic tension-compression to large strains: Experiments and crystal plasticity modeling

    NASA Astrophysics Data System (ADS)

    Zecevic, Milovan; Korkolis, Yannis P.; Kuwabara, Toshihiko; Knezevic, Marko

    2016-11-01

    In this work, we develop a physically-based crystal plasticity model for the prediction of cyclic tension-compression deformation of multi-phase materials, specifically dual-phase (DP) steels. The model is elasto-plastic in nature and integrates a hardening law based on statistically stored dislocation density, localized hardening due to geometrically necessary dislocations (GNDs), slip-system-level kinematic backstresses, and annihilation of dislocations. The model further features a two level homogenization scheme where the first level is the overall response of a two-phase polycrystalline aggregate and the second level is the homogenized response of the martensite polycrystalline regions. The model is applied to simulate a cyclic tension-compression-tension deformation behavior of DP590 steel sheets. From experiments, we observe that the material exhibits a typical decreasing hardening rate during forward loading, followed by a linear and then a non-linear unloading upon the load reversal, the Bauschinger effect, and changes in hardening rate during strain reversals. To predict these effects, we identify the model parameters using a portion of the measured data and validate and verify them using the remaining data. The developed model is capable of predicting all the particular features of the cyclic deformation of DP590 steel, with great accuracy. From the predictions, we infer and discuss the effects of GNDs, the backstresses, dislocation annihilation, and the two-level homogenization scheme on capturing the cyclic deformation behavior of the material.

  2. Formulation Development of Spherical Crystal Agglomerates of Itraconazole for Preparation of Directly Compressible Tablets with Enhanced Bioavailability.

    PubMed

    Fadke, Janki; Desai, Jagruti; Thakkar, Hetal

    2015-12-01

    The objective of the present work was to formulate tablet dosage form of itraconazole with enhanced bioavailability. Spherical crystal agglomerates (SCA) of itraconazole prepared by quasi emulsification solvent diffusion method using Soluplus and polyethylene glycol 4000 (PEG 4000) showed increased solubility (540 μg/ml) in 0.1 N hydrochloric acid as compared to pure drug (12 μg/ml). A Fourier transform infrared (FTIR) study indicated compatibility of drug with the excipients. The developed SCA were spherical with smooth surface having an average size of 412 μm. The significantly improved micromeritic properties compared to the plain drug suggested its suitability for direct compression. The antifungal activity of itraconazole was retained in the SCA form as evidenced from the results of the disc diffusion method. The optimized SCA formulation could be easily compressed into tablet with desirable characteristics of hardness (5 kg/cm(2)) and disintegration time (6.3 min). The in vitro dissolution studies showed significant difference in the dissolution profiles of pure drug (21%) and SCA formulation (85%) which was even greater than that of marketed preparation (75%). In vivo pharmacokinetic showed significant enhancement in C max and AUC0-t with relative bioavailability of 225%. The SCA formulation seems to be promising for enhancement of oral bioavailability of itraconazole.

  3. Amplifying and compressing optical filter based on one-dimensional ternary photonic crystal structure containing gain medium

    NASA Astrophysics Data System (ADS)

    Jamshidi-Ghaleh, Kazem; Ebrahimpour, Zeinab; Moslemi, Fatemeh

    2015-07-01

    The transmission spectrum properties of the one-dimensional ternary photonic crystal (1DTPC) structure, composed of dielectric (D), metal (M) and gain (G) materials, with three different arrangements of (DGM)N, (GDM)N and (DMG)N, where N is the number of periodicity, were investigated. Two full photonic band gaps and N-1 resonant peaks, localized between them, were observed on transmittance spectra on near-UV spectrum region. When the gained layer was placed in front of the metal, the peaks appeared with higher resolution. There is a peak, localized on the higher band-edge of the first gap, which shows very interesting property than the other peaks. Thus, it amplifies and compresses faster with increase in the N and strength of the gain coefficient. The effects of the gain coefficient and periodicity number are graphically illustrated. This communication presents a PC structure that can be a good candidate to design an amplifying and compressing single or multi-channel optical filter in the UV region.

  4. Apparatus and method for determining microscale interactions based on compressive sensors such as crystal structures

    SciTech Connect

    McAdams, Harley; AlQuraishi, Mohammed

    2015-04-21

    Techniques for determining values for a metric of microscale interactions include determining a mesoscale metric for a plurality of mesoscale interaction types, wherein a value of the mesoscale metric for each mesoscale interaction type is based on a corresponding function of values of the microscale metric for the plurality of the microscale interaction types. A plurality of observations that indicate the values of the mesoscale metric are determined for the plurality of mesoscale interaction types. Values of the microscale metric are determined for the plurality of microscale interaction types based on the plurality of observations and the corresponding functions and compressed sensing.

  5. Role of five-fold twin boundary on the enhanced mechanical properties of fcc Fe nanowires.

    PubMed

    Wu, J Y; Nagao, S; He, J Y; Zhang, Z L

    2011-12-14

    The role of 5-fold twin boundary on the structural and mechanical properties of fcc Fe nanowire under tension is explored by classical molecular dynamics. Twin-stabilized fcc nanowire with various diameters (6-24 nm) are examined by tension tests at several temperatures ranging from 0.01 to 1100 K. Significant increase in the Young's modulus of the smaller nanowires is revealed to originate from the central area of quinquefoliolate-like stress-distribution over the 5-fold twin, rather than from the surface tension that is often considered as the main source of such size-effects found in nanostructures. Because of the excess compressive stress caused by crossing twin-boundaries, the atoms in the center behave stiffer than those in bulk and even expand laterally under axial tension, providing locally negative Poisson's ratio. The yield strength of nanowire is also enhanced by the twin boundary that suppresses dislocation nucleation within a fcc twin-domain; therefore, the plasticity of nanowire is initiated by strain-induced fcc→bcc phase transformation that destroys the twin structure. After the yield, the nucleated bcc phase immediately spreads to the entire area, and forms a multigrain structure to realize ductile deformation followed by necking. As temperature elevated close to the critical temperature between bcc and fcc phases, the increased stability of fcc phase competes with the phase transformation under tension, and hence dislocation nucleations in fcc phase are observed exclusively at the highest temperature in our study.

  6. Shock compression modeling of metallic single crystals: comparison of finite difference, steady wave, and analytical solutions

    SciTech Connect

    Lloyd, Jeffrey T.; Clayton, John D.; Austin, Ryan A.; McDowell, David L.

    2015-07-10

    Background: The shock response of metallic single crystals can be captured using a micro-mechanical description of the thermoelastic-viscoplastic material response; however, using a such a description within the context of traditional numerical methods may introduce a physical artifacts. Advantages and disadvantages of complex material descriptions, in particular the viscoplastic response, must be framed within approximations introduced by numerical methods. Methods: Three methods of modeling the shock response of metallic single crystals are summarized: finite difference simulations, steady wave simulations, and algebraic solutions of the Rankine-Hugoniot jump conditions. For the former two numerical techniques, a dislocation density based framework describes the rate- and temperature-dependent shear strength on each slip system. For the latter analytical technique, a simple (two-parameter) rate- and temperature-independent linear hardening description is necessarily invoked to enable simultaneous solution of the governing equations. For all models, the same nonlinear thermoelastic energy potential incorporating elastic constants of up to order 3 is applied. Results: Solutions are compared for plate impact of highly symmetric orientations (all three methods) and low symmetry orientations (numerical methods only) of aluminum single crystals shocked to 5 GPa (weak shock regime) and 25 GPa (overdriven regime). Conclusions: For weak shocks, results of the two numerical methods are very similar, regardless of crystallographic orientation. For strong shocks, artificial viscosity affects the finite difference solution, and effects of transverse waves for the lower symmetry orientations not captured by the steady wave method become important. The analytical solution, which can only be applied to highly symmetric orientations, provides reasonable accuracy with regards to prediction of most variables in the final shocked state but, by construction, does not provide insight

  7. Shock compression modeling of metallic single crystals: comparison of finite difference, steady wave, and analytical solutions

    DOE PAGES

    Lloyd, Jeffrey T.; Clayton, John D.; Austin, Ryan A.; ...

    2015-07-10

    Background: The shock response of metallic single crystals can be captured using a micro-mechanical description of the thermoelastic-viscoplastic material response; however, using a such a description within the context of traditional numerical methods may introduce a physical artifacts. Advantages and disadvantages of complex material descriptions, in particular the viscoplastic response, must be framed within approximations introduced by numerical methods. Methods: Three methods of modeling the shock response of metallic single crystals are summarized: finite difference simulations, steady wave simulations, and algebraic solutions of the Rankine-Hugoniot jump conditions. For the former two numerical techniques, a dislocation density based framework describes themore » rate- and temperature-dependent shear strength on each slip system. For the latter analytical technique, a simple (two-parameter) rate- and temperature-independent linear hardening description is necessarily invoked to enable simultaneous solution of the governing equations. For all models, the same nonlinear thermoelastic energy potential incorporating elastic constants of up to order 3 is applied. Results: Solutions are compared for plate impact of highly symmetric orientations (all three methods) and low symmetry orientations (numerical methods only) of aluminum single crystals shocked to 5 GPa (weak shock regime) and 25 GPa (overdriven regime). Conclusions: For weak shocks, results of the two numerical methods are very similar, regardless of crystallographic orientation. For strong shocks, artificial viscosity affects the finite difference solution, and effects of transverse waves for the lower symmetry orientations not captured by the steady wave method become important. The analytical solution, which can only be applied to highly symmetric orientations, provides reasonable accuracy with regards to prediction of most variables in the final shocked state but, by construction, does not provide

  8. Quadrupole deformation of electron shells in the lattice dynamics of compressed rare-gas crystals

    NASA Astrophysics Data System (ADS)

    Troitskaya, E. P.; Chabanenko, Val. V.; Zhikharev, I. V.; Gorbenko, Ie. Ie.; Pilipenko, E. A.

    2012-06-01

    The lattice dynamics of rare-gas crystals has been constructed taking into account the deformation of electron shells of the atoms of the dipole and quadrupole types, depending on the displacement of the nuclei. The obtained equations of lattice vibrations have been investigated in the long-wavelength approximation. The role played by the three-body interaction and the deformation of the electron shells in the violation of the Cauchy relation has been discussed. The calculated Birch elastic moduli for Xe and deviations from the Cauchy relation are in good agreement with the available experimental data over a wide range of pressures.

  9. Dynamic range compression/expansion of light beams by photorefractive crystals

    NASA Technical Reports Server (NTRS)

    Cheng, Li-Jen (Inventor); Liu, Hua-Kuang (Inventor)

    1988-01-01

    An apparatus is provided which greatly reduces the intensity of bright portions of an image while only moderately reducing the brightness of dimmer portions of the image, to thereby compress the range of light intensities to facilitate detection of the image. The apparatus includes a light detector device formed by a chip of photorefractive material. A 2-D array of light beams from an object to be detected passes through a beam splitter to form two arrays of light beams. The two arrays are directed at different angles against a surface of the chip of photorefractive material, the two arrays of light beams forming coincident images on the surface. One of the 2-D arrays of beams emerging from an opposite surface of the chip has a lower range of intensities, to facilitate detection of the object despite very bright spots in its image. The other array of light beams emerging from the chip has a greater range of intensities than the unprocessed image of the object.

  10. New FCC Goal in Ownership Regulation.

    ERIC Educational Resources Information Center

    Rappaport, Josh

    By first describing the historical stance of the Federal Communications Commission (FCC) toward ownership of broadcast facilities and then describing the FCC's most recent policy statements, this report compares the differing viewpoints and recognizes that the new value or goal that seems to have been established conflicts with the past emphasis…

  11. The FCC and the Electric Church.

    ERIC Educational Resources Information Center

    Abrams, Michael F.

    This newsletter focuses on the relationship between the Federal Communications Commission (FCC) and religious broadcasters. It traces the history of that relationship and discusses some of the pressures put on both. It includes a discussion of a recent avalanche of mail at the FCC supporting the church on the airways. It also summarizes some of…

  12. Relative stability of the FCC and HCP polymorphs with interacting polymers.

    PubMed

    Mahynski, Nathan A; Kumar, Sanat K; Panagiotopoulos, Athanassios Z

    2015-01-14

    Recent work [Mahynski et al., Nat. Commun., 2014, 5, 4472] has demonstrated that the addition of long linear homopolymers thermodynamically biases crystallizing hard-sphere colloids to produce the hexagonal close-packed (HCP) polymorph over the closely related face-centered cubic (FCC) structure when the polymers and colloids are purely repulsive. In this report, we investigate the effects of thermal interactions on each crystal polymorph to explore the possibility of stabilizing the FCC crystal structure over the HCP. We find that the HCP polymorph remains at least as stable as its FCC counterpart across the entire range of interactions we explored, where interactions were quantified by the reduced second virial coefficient, -1.50 < B < 1.01. This metric conveniently characterizes the crossover from entropically to energetically dominated systems at B ≈ 0. While the HCP relies on its octahedral void arrangement for enhanced stability when B > 0, its tetrahedral voids produce a similar effect when B < 0 (i.e. when energetics dominate). Starting from this, we derive a mean-field expression for the free energy of an infinitely-dilute polymer adsorbed in the crystal phase for nonzero B. Our results reveal that co-solute biasing of a single polymorph can still be observed in experimentally realizable scenarios when the colloids and polymers have attractive interactions, and provide a possible explanation for the experimental finding that pure FCC crystals are elusive in these binary mixtures.

  13. Synthesis of 4H/fcc Noble Multimetallic Nanoribbons for Electrocatalytic Hydrogen Evolution Reaction.

    PubMed

    Fan, Zhanxi; Luo, Zhimin; Huang, Xiao; Li, Bing; Chen, Ye; Wang, Jie; Hu, Yanling; Zhang, Hua

    2016-02-03

    Noble multimetallic nanomaterials, if only consisting of Au, Ag, Pt, and Pd, typically adopt the high-symmetry face-centered cubic (fcc) structure. Here for the first time, by using the 4H/fcc Au@Ag nanoribbons (NRBs) as seeds, we report the synthesis of 4H/fcc trimetallic Au@PdAg core-shell NRBs via the galvanic reaction method under ambient conditions. Moreover, this strategy can also be used to synthesize 4H/fcc trimetallic Au@PtAg and quatermetallic Au@PtPdAg core-shell NRBs. Impressively, for the first time, these alloy shells, i.e., PdAg, PtAg, and PtPdAg, epitaxially grown on the 4H/fcc Au core with novel 4H hexagonal phase were successfully synthesized. Remarkably, the obtained 4H/fcc Au@PdAg NRBs exhibit excellent electrocatalytic activity toward the hydrogen evolution reaction, which is even quite close to that of the commercial Pt black. We believe that our findings here may provide a novel strategy for the crystal-structure-controlled synthesis of advanced functional noble multimetallic nanomaterials with various promising applications.

  14. Elastic-plastic and phase transition of zinc oxide single crystal under shock compression

    SciTech Connect

    Liu, Xun; Mashimo, Tsutomu Li, Wei; Zhou, Xianming; Sekine, Toshimori

    2015-03-07

    The Hugoniot data for zinc oxide (ZnO) single crystals were measured up to 80 GPa along both the 〈112{sup ¯}0〉 (a-axis) and 〈0001〉 (c-axis) directions using a velocity interferometer system for any reflector and inclined-mirror method combined with a powder gun and two-stage light gas gun. The Hugoniot-elastic limits of ZnO were determined to be 10.5 and 11.5 GPa along the a- and c-axes, respectively. The wurtzite (B4) to rocksalt (B1) phase transition pressures along the a- and c-axes are 12.3 and 14.4 GPa, respectively. Shock velocity (U{sub s}) versus particle velocity (U{sub p}) relation of the final phase is given by the following relationship: U{sub s} (km/s) = 2.76 + 1.51U{sub p} (km/s). Based on the Debye-Grüneisen model and Birch-Murnaghan equation of state (EOS), we discuss the EOS of the B1 phase ZnO. The bulk modulus (K{sub 0}) and its pressure derivative (K{sub 0}′) are estimated to be K{sub 0} = 174 GPa and K{sub 0}′ = 3.9, respectively.

  15. Non-Newtonian Crystal- and Bubble-Rich Lava Rheology in Compression

    NASA Astrophysics Data System (ADS)

    Lavallee, Y.; Hess, K.; Cordonnier, B.; Dingwell, D. B.

    2006-12-01

    Volcanic eruption models are still hampered by the lack of multiphase magmatic rheology laws. Fortunately, the lack of sufficient rheological data for lavas bearing crystals and vesicles is now being systematically experimentally addressed. Most rheological models consider suspension rheology according to the Einstein- Roscoe equation or a modification of it. This approach does not contain a Non-Newtonian description (strain- rate dependence). Here, experiments using high-load, high-temperature uniaxial apparatus were carried out to simulate multiphase lava deformation under stresses ranging from 1 to 70 MPa. Samples from Unzen, Colima, Anak Krakatau and Bezymianny (containing 30, 50, 70 and 80 % phenocrysts, and 5, 8, 23 and 9 % vesicles, respectively) were chosen for this study. Obtained results reveal that multiphase lavas behave as pseudo-plastic fluids exhibiting an important component of shear thinning. The viscosity of all lavas decreases exponentially by ca. 1.5 log units between the strain rates of 10-6 and 10-3 s-1; point at which viscous heating and micro-cracking begin to be detected. The strong exponential dependence of the viscosity on strain rate holds the promise of yielding a Non-Newtonian rheology law and consequentially challenges the completeness of the Einstein-Roscoe equation to treat suspension rheology in volcanic eruption models.

  16. Electronic Structure of Crystalline Buckyballs: fcc-C60

    NASA Astrophysics Data System (ADS)

    Jalali-Asadabadi, Saeid; Ghasemikhah, E.; Ouahrani, T.; Nourozi, B.; Bayat-Bayatani, M.; Javanbakht, S.; Aliabad, H. A. Rahnamaye; Ahmad, Iftikhar; Nematollahi, J.; Yazdani-Kachoei, M.

    2016-01-01

    The electronic properties of pristine fcc-C60 are calculated by utilizing a variety of density functional theory (DFT) approaches including the Perdew-Burke-Ernzerhof generalized gradient approximation (PBE-GGA), PBE-GGA+DFT-D3(vdW), Engel and Vosko GGA (EV-GGA), GGA plus Hubbard U parameter (GGA+U), hybrids Becke-Perdew-Wang hybrid functional (B3PW91), Becke-Lee-Yang-Parr hybrid functional (B3LYP), the PBE exchange-correlation functional (PBE0), and Tran and Blaha regular and non-regular modified Becke and Johnson (TB-mBJ) potential within a DFT frame work using augmented plane waves plus local orbital method. The comparison of the calculated results with the experimental values shows that the non-regular TB-mBJ method reproduces a correct experimental direct band gap of 2.12 eV at X symmetry for this compound. The effectiveness of this theoretical approach in the reproduction of the experimental band gap is due to the proper treatment of the electrons in the interstitial region of the crystal. Our results show that the C60 clusters are weakly interacting with each other in the fcc crystal. This study also reveals that the five-fold degeneracies of the isolated C60 molecule due to its icosahedral symmetry are completely lifted at an X symmetry point by the crystal field.

  17. Shock wave compression of hexagonal-close-packed metal single crystals: Time-dependent, anisotropic elastic-plastic response of beryllium

    SciTech Connect

    Winey, J. M.; Gupta, Y. M.

    2014-07-21

    Understanding and modeling the response of hcp metals to high stress impulsive loading is challenging because the lower crystal symmetry, compared to cubic metals, results in a significantly more complex material response. To gain insight into the inelastic deformation of hcp metals subjected to high dynamic stresses, shock wave compression of single crystals provides a useful approach because different inelastic deformation mechanisms can be examined selectively by shock compression along different crystal orientations. As a representative example, we report, here, on wave propagation simulations for beryllium (Be) single crystals shocked along the c-axis, a-axis, and several low-symmetry directions to peak stresses reaching 7 GPa. The simulations utilized a time-dependent, anisotropic material model that incorporated dislocation dynamics, deformation twinning, and shear cracking based descriptions of inelastic deformation. The simulation results showed good overall agreement with measured wave profiles for all the different crystal orientations examined [Pope and Johnson, J. Appl. Phys. 46, 720 (1975)], including features arising from wave mode coupling due to the highly anisotropic inelastic response of Be. This good agreement demonstrates that the measured profiles can be understood in terms of dislocation slip along basal, prismatic, and pyramidal planes, together with deformation twinning along (101{sup ¯}2) planes. Our results show that the response of shocked Be single crystals involves the simultaneous operation of multiple, distinct inelastic deformation mechanisms for all orientations except the c-axis. For shocked c-axis Be, the measured wave profiles do not provide good discrimination between pyramidal slip and other inelastic deformation mechanisms, such as shear cracking. The findings presented here provide insight into the complex inelastic deformation response of shocked Be single crystals and are expected to be useful for other hcp crystals

  18. 47 CFR 80.417 - FCC Rules and Regulations.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false FCC Rules and Regulations. 80.417 Section 80... STATIONS IN THE MARITIME SERVICES Station Documents § 80.417 FCC Rules and Regulations. The Commission's... available on the Commission's web site at www.fcc.gov or ftp.fcc.gov....

  19. Military and aerospace applications of FCC

    NASA Technical Reports Server (NTRS)

    Swanson, C.

    1972-01-01

    Military and NASA programs are discussed in which FCC were used. Included are Saturn 4, Pegasus satellites solar, array for Skylab orbital workshop, Poseidon missiles, MK 48 torpedo fire control, and Lunar Surveyor.

  20. Low voltage FCC for home and business

    NASA Technical Reports Server (NTRS)

    Wolf, L.

    1972-01-01

    A thin pressure-sensitive FCC for low voltage usage is described. It is recommended for installing in speakers, intercoms, doorbells, burglar alarms, and clocks, without running wires between walls. The specifications are given.

  1. 78 FR 69415 - Proposed Changes to FCC Form 499-A, FCC Form 499-Q, and Accompanying Instructions.

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-11-19

    ... COMMISSION Proposed Changes to FCC Form 499-A, FCC Form 499-Q, and Accompanying Instructions. AGENCY: Federal... to (1) the annual Telecommunications Reporting Worksheet, FCC Form 499-A (Form 499-A) and... quarterly Telecommunications Reporting Worksheet, FCC Form 499-Q (Form 499-Q) and accompanying...

  2. Ferromagnetic properties of fcc Gd thin films

    SciTech Connect

    Bertelli, T. P. Passamani, E. C.; Larica, C.; Nascimento, V. P.; Takeuchi, A. Y.

    2015-05-28

    Magnetic properties of sputtered Gd thin films grown on Si (100) substrates kept at two different temperatures were investigated using X-ray diffraction, ac magnetic susceptibility, and dc magnetization measurements. The obtained Gd thin films have a mixture of hcp and fcc structures, but with their fractions depending on the substrate temperature T{sub S} and film thickness x. Gd fcc samples were obtained when T{sub S} = 763 K and x = 10 nm, while the hcp structure was stabilized for lower T{sub S} (300 K) and thicker film (20 nm). The fcc structure is formed on the Ta buffer layer, while the hcp phase grows on the fcc Gd layer as a consequence of the lattice relaxation process. Spin reorientation phenomenon, commonly found in bulk Gd species, was also observed in the hcp Gd thin film. This phenomenon is assumed to cause the magnetization anomalous increase observed below 50 K in stressed Gd films. Magnetic properties of fcc Gd thin films are: Curie temperature above 300 K, saturation magnetization value of about 175 emu/cm{sup 3}, and coercive field of about 100 Oe at 300 K; features that allow us to classify Gd thin films, with fcc structure, as a soft ferromagnetic material.

  3. Appropriate deposition parameters for formation of fcc Co-Ni alloy nanowires during electrochemical deposition process

    NASA Astrophysics Data System (ADS)

    Mukhtar, Aiman; Shahzad Khan, Babar; Mehmood, Tahir

    2016-12-01

    The effect of deposition potential on the crystal structure and composition of Co-Ni alloy nanowires is studied by XRD, FE-SEM and EDX. The alloy nanowires deposited at -3.2 V are metastable fcc phase Co-Ni. The alloy nanowires deposited at -1.8 V are hcp phase Co-Ni. The formation of the metastable fcc alloy nanowires can be attributed to smaller critical clusters formed at the high potential as the smaller critical clusters favor fcc structure because of the significant surface energy effect. The content of Co inside nanowires increases with increasing potential. This can be understood by the polarization curves of depositing Co and Ni nanowires, which show that the current density ratio of Ni to Co at low potential has larger value than that at high potential.

  4. Air-guided photonic-crystal-fiber pulse-compression delivery of multimegawatt femtosecond laser output for nonlinear-optical imaging and neurosurgery

    NASA Astrophysics Data System (ADS)

    Lanin, Aleksandr A.; Fedotov, Il'ya V.; Sidorov-Biryukov, Dmitrii A.; Doronina-Amitonova, Lyubov V.; Ivashkina, Olga I.; Zots, Marina A.; Sun, Chi-Kuang; Ömer Ilday, F.; Fedotov, Andrei B.; Anokhin, Konstantin V.; Zheltikov, Aleksei M.

    2012-03-01

    Large-core hollow photonic-crystal fibers (PCFs) are shown to enable a fiber-format air-guided delivery of ultrashort infrared laser pulses for neurosurgery and nonlinear-optical imaging. With an appropriate dispersion precompensation, an anomalously dispersive 15-μm-core hollow PCF compresses 510-fs, 1070-nm light pulses to a pulse width of about 110 fs, providing a peak power in excess of 5 MW. The compressed PCF output is employed to induce a local photodisruption of corpus callosum tissues in mouse brain and is used to generate the third harmonic in brain tissues, which is captured by the PCF and delivered to a detector through the PCF cladding.

  5. Catalytic reforming of heart cut fcc naphthas

    SciTech Connect

    Gerritsen, L.A.

    1985-03-01

    The anticipated lead phasedown in the USA and the growing demand for unleaded gasoline will require a higher gasoline pool octane number. One of the possibilities to achieve this increase of pool octane will be catalytic reforming of FCC naphtha. In this paper we evaluate the effects of FCC naphtha reforming on the reformer operation and gasoline pool volume for various lead phasedown scenarios. High-stability reforming catalysts, like TPR-8/CK-522 TRILOBE catalyst, will be required to maintain acceptable cycle lengths at the more severe reformer operating conditions. The properties and octane distribution of FCC naphtha are discussed, as well as its hydrotreating with high-active NiMo catalysts.

  6. Ru nanoframes with an fcc structure and enhanced catalytic properties

    DOE PAGES

    Ye, Haihang; Wang, Qingxiao; Catalano, Massimo; ...

    2016-03-21

    Noble-metal nanoframes are of great interest to many applications due to their unique open structures. Among various noble metals, Ru has never been made into nanoframes. In this study, we report for the first time an effective method based on seeded growth and chemical etching for the facile synthesis of Ru nanoframes with high purity. The essence of this approach is to induce the preferential growth of Ru on the corners and edges of Pd truncated octahedra as the seeds by kinetic control. The resultant Pd–Ru core–frame octahedra could be easily converted to Ru octahedral nanoframes of ~2 nm inmore » thickness by selectively removing the Pd cores through chemical etching. Most importantly, in this approach the face-centered cubic (fcc) crystal structure of Pd seeds was faithfully replicated by Ru that usually takes an hcp structure. Furthermore, the fcc Ru nanoframes showed higher catalytic activities toward the reduction of p-nitrophenol by NaBH4 and the dehydrogenation of ammonia borane compared with hcp Ru nanowires with roughly the same thickness.« less

  7. Ru nanoframes with an fcc structure and enhanced catalytic properties

    SciTech Connect

    Ye, Haihang; Wang, Qingxiao; Catalano, Massimo; Lu, Ning; Vermeylen, Joseph; Kim, Moon J.; Liu, Yuzi; Sun, Yugang; Xia, Xiaohu

    2016-03-21

    Noble-metal nanoframes are of great interest to many applications due to their unique open structures. Among various noble metals, Ru has never been made into nanoframes. In this study, we report for the first time an effective method based on seeded growth and chemical etching for the facile synthesis of Ru nanoframes with high purity. The essence of this approach is to induce the preferential growth of Ru on the corners and edges of Pd truncated octahedra as the seeds by kinetic control. The resultant Pd–Ru core–frame octahedra could be easily converted to Ru octahedral nanoframes of ~2 nm in thickness by selectively removing the Pd cores through chemical etching. Most importantly, in this approach the face-centered cubic (fcc) crystal structure of Pd seeds was faithfully replicated by Ru that usually takes an hcp structure. Furthermore, the fcc Ru nanoframes showed higher catalytic activities toward the reduction of p-nitrophenol by NaBH4 and the dehydrogenation of ammonia borane compared with hcp Ru nanowires with roughly the same thickness.

  8. Ru Nanoframes with an fcc Structure and Enhanced Catalytic Properties.

    PubMed

    Ye, Haihang; Wang, Qingxiao; Catalano, Massimo; Lu, Ning; Vermeylen, Joseph; Kim, Moon J; Liu, Yuzi; Sun, Yugang; Xia, Xiaohu

    2016-04-13

    Noble-metal nanoframes are of great interest to many applications due to their unique open structures. Among various noble metals, Ru has never been made into nanoframes. In this study, we report for the first time an effective method based on seeded growth and chemical etching for the facile synthesis of Ru nanoframes with high purity. The essence of this approach is to induce the preferential growth of Ru on the corners and edges of Pd truncated octahedra as the seeds by kinetic control. The resultant Pd-Ru core-frame octahedra could be easily converted to Ru octahedral nanoframes of ∼2 nm in thickness by selectively removing the Pd cores through chemical etching. Most importantly, in this approach the face-centered cubic (fcc) crystal structure of Pd seeds was faithfully replicated by Ru that usually takes an hcp structure. The fcc Ru nanoframes showed higher catalytic activities toward the reduction of p-nitrophenol by NaBH4 and the dehydrogenation of ammonia borane compared with hcp Ru nanowires with roughly the same thickness.

  9. Single-crystal elastic constants of disordered and ordered FePd

    NASA Astrophysics Data System (ADS)

    Ichitsubo, Tetsu; Tanaka, Katsushi

    2004-12-01

    Single-crystal elastic constants of A1 (fcc disordered) and single-variant L10-ordered FePd alloy are presented. The ordered phase consisting of single-variant domains was formed using the compression method proposed by our previous paper [T. Ichitsubo, M. Nakamoto, K. Tanaka, and M. Koiwa, Mater. Trans. JIM 39, 24 (1998)]. A complete set of elastic constants has been determined with the resonance ultrasound spectroscopy technique. The disordered alloy exhibits common features of usual fcc metals, and the ordered alloy clearly shows a tetragonal elastic anisotropy, c11

  10. Effects of Co doping on the metamagnetic states of the ferromagnetic fcc Fe-Co alloy.

    PubMed

    Ortiz-Chi, Filiberto; Aguayo, Aarón; de Coss, Romeo

    2013-01-16

    The evolution of the metamagnetic states in the ferromagnetic face centered cubic (fcc) Fe(1-x)Co(x) alloy as a function of Co concentration has been studied by means of first-principles calculations. The ground state properties were obtained using the full-potential linear augmented plane wave method and the generalized gradient approximation for the exchange-correlation functional. The alloying was modeled using the virtual crystal approximation and the magnetic states were obtained from the calculations of the total energy as a function of the spin moment, using the fixed spin moment method. For ferromagnetic fcc Fe, the binding-energy curve shows metamagnetic behavior, with two minima corresponding to a small-volume, low-spin (LS) state and a large-volume, high-spin (HS) state, which are separated by a small energy (E(LS) ≲ E(HS)). The evolution of the magnetic moment, the exchange integral (J), and the binding-energy curve is analyzed in the whole range of Co concentrations (x). The magnetic moment corresponding to the HS state decreases monotonically from 2.6 μ(B)/atom in fcc Fe to 1.7 μ(B)/atom in fcc Co. In contrast, the exchange integral for the HS state shows a maximum at around x = 0.45. The thermal dependence of the lattice parameter is evaluated with a method based on statistical mechanics using the binding-energy curve as an effective potential. It is observed that the behavior of the lattice parameter with temperature is tuned by Co doping, from negative thermal expansion in fcc Fe to positive thermal expansion in fcc Co, through the modification of the energetics of the metamagnetic states.

  11. Orientation and temperature dependence of some mechanical properties of the single-crystal nickel-base superalloy Rene N4. 3: Tension-compression anisotropy

    NASA Technical Reports Server (NTRS)

    Miner, R. V.; Gaab, T. P.; Gayda, J.; Hemker, K. J.

    1985-01-01

    Single crystal superalloy specimens with various crystallographic directions along their axes were tested in compression at room temperature, 650, 760, 870, and 980 deg C. These results are compared with the tensile behavior studied previously. The alloy, Rene N4, was developed for gas turbine engine blades and has the nominal composition 3.7 Al, 4.2 Ti, 4 Ta, 0.5 Nb, 6 W, 1.5 Mo 9 Cr. 7.5 Co, balance Ni, in weight percent. Slip trace analysis showed that primary cube slip occurred even at room temperature for the 111 specimens. With increasing test temperature more orientations exhibited primary cube slip, until at 870 deg C only the 100 and 011 specimens exhibited normal octahedral slip. The yield strength for octahedral slip was numerically analysed using a model proposed by Lall, Chin, and Pope to explain deviations from Schmid's Law in the yielding behavior of a single phase Gamma prime alloy, Ni3(Al, Nb). The Schmid's Law deviations in Rene N4 were found to be largely due to a tension-compression anisotropy. A second effect, which increases trength for orientations away from 001, was found to be small in Rene N4. Analysis of recently published data on the single crystal superalloy PWA 1480 yielded the same result.

  12. In-situ neutron diffraction of LaCoO₃ perovskite under uniaxial compression. I. Crystal structure analysis and texture development

    SciTech Connect

    Aman, Amjad; Orlovskaya, Nina; Chen, Yan; Lugovy, Mykola; Reece, Michael J.; Ma, Dong; Stoica, Alexandru D.; An, Ke

    2014-07-07

    The dynamics of texture formation, changes in crystal structure, and stress accommodation mechanisms have been studied in perovskite-type R3⁻c rhombohedral LaCoO₃ during uniaxial compression using in-situ neutron diffraction. The in-situ neutron diffraction revealed the complex crystallographic changes causing the texture formation and significant straining along certain crystallographic directions during compression, which are responsible for the appearance of hysteresis and non-linear ferroelastic deformation in the LaCoO₃ perovskite. The irreversible strain after the first loading was connected with the appearance of non-recoverable changes in the intensity ratio of certain crystallographic peaks, causing non-reversible texture formation. However, in the second loading/unloading cycle, the hysteresis loop was closed and no further irrecoverable strain appeared after deformation. The significant texture formation is responsible for an increase in the Young's modulus of LaCoO₃ at high compressive stresses, ranging from 76 GPa at the very beginning of the loading to 194 GPa at 900 MPa at the beginning of the unloading curve.

  13. 47 CFR 74.3 - FCC inspections of stations.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 4 2010-10-01 2010-10-01 false FCC inspections of stations. 74.3 Section 74.3... Services in Part 74 § 74.3 FCC inspections of stations. (a) The licensee of a station authorized under this part must make the station available for inspection by representatives of the FCC during the...

  14. Inside the FCC: A Guide for Information Seekers.

    ERIC Educational Resources Information Center

    Le Duc, Don R., Ed.; Krasnow, Erwin G., Ed.

    1975-01-01

    To aid the public in obtaining information and documents from the files of the Federal Communications Commission (FCC) this guide, written with assistance from the FCC staff, explains which office to approach and in what form to make the request. Ways to obtain informaion by visiting the FCC are explained along with methods for obtaining…

  15. 47 CFR 73.1225 - Station inspections by FCC.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 4 2010-10-01 2010-10-01 false Station inspections by FCC. 73.1225 Section 73... BROADCAST SERVICES Rules Applicable to All Broadcast Stations § 73.1225 Station inspections by FCC. (a) The... FCC during the station's business hours, or at any time it is in operation. (b) In the course of...

  16. 47 CFR 2.936 - FCC inspection.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 1 2014-10-01 2014-10-01 false FCC inspection. 2.936 Section 2.936 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization Procedures Conditions Attendant to An...

  17. 47 CFR 2.936 - FCC inspection.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 1 2012-10-01 2012-10-01 false FCC inspection. 2.936 Section 2.936 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization Procedures Conditions Attendant to An...

  18. 47 CFR 2.936 - FCC inspection.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 1 2011-10-01 2011-10-01 false FCC inspection. 2.936 Section 2.936 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization Procedures Conditions Attendant to An...

  19. 47 CFR 2.936 - FCC inspection.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 1 2013-10-01 2013-10-01 false FCC inspection. 2.936 Section 2.936 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization Procedures Conditions Attendant to An...

  20. 47 CFR 2.936 - FCC inspection.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 1 2010-10-01 2010-10-01 false FCC inspection. 2.936 Section 2.936 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization Procedures Conditions Attendant to An...

  1. Current Policy Problems at the FCC.

    ERIC Educational Resources Information Center

    Wiley, Richard E.

    In the past year the Federal Communications Commission (FCC) has instituted new programs and initiatives designed to improve the exchange of information between the Commission and the research and academic community. An Office of Plans and Policy has been formed. As a result of the Future Planning Conference held last year, a research project is…

  2. Formation of fivefold axes in the FCC-metal nanoclusters

    NASA Astrophysics Data System (ADS)

    Myasnichenko, Vladimir S.; Starostenkov, Mikhail D.

    2012-11-01

    Formation of atomistic structures of metallic Cu, Au, Ag clusters and bimetallic Cu-Au clusters was studied with the help of molecular dynamics using the many-body tight-binding interatomic potential. The simulation of the crystallization process of clusters with the number of atoms ranging from 300 to 1092 was carried out. The most stable configurations of atoms in the system, corresponding to the minimum of potential energy, was found during super-fast cooling from 1000 K. Atoms corresponding to fcc, hcp, and Ih phases were identified by the method of common neighbor analysis. Incomplete icosahedral core can be discovered at the intersection of one of the Ih axes with the surface of monometallic cluster. The decahedron-shaped structure of bimetallic Cu-Au cluster with seven completed icosahedral cores was obtained. The principles of the construction of small bimetallic clusters with icosahedral symmetry and increased fractal dimensionality were offered.

  3. Regeneration of Hydrotreating and FCC Catalysts

    SciTech Connect

    CM Wai; JG Frye; JL Fulton; LE Bowman; LJ Silva; MA Gerber

    1999-09-30

    Hydrotreating, hydrocracking, and fluid catalytic cracking (FCC) catalysts are important components of petroleum refining processes. Hydrotreating and hydrocracking catalysts are used to improve the yield of high-quality light oil fractions from heavier crude oil and petroleum feedstocks containing high levels of impurities. FCC catalysts improve the yield of higher octane gasoline from crude oil. Residuum hydrotreating and cracking catalysts are susceptible to irreversible deactivation caused by adsorption of sulfur and by metals impurities, such as vanadium and nickel. The gradual buildup of these impurities in a hydrotreating catalyst eventually plugs the pores and deactivates it. Nickel and vanadium adversely affect the behavior of cracking catalysts, reducing product yield and quality. Replacing deactivated catalysts represents a significant cost in petroleum refining. Equally important are the costs and potential liabilities associated with treating and disposing spent catalysts. For example, recent US Environmental Protection Agency rulings have listed spent hydrotreating and hydrorefining catalysts as hazardous wastes. FCC catalysts, though more easily disposed of as road-base or as filler in asphalt and cement, are still an economic concern mainly because of the large volumes of spent catalysts generated. New processes are being considered to increase the useful life of catalysts or for meeting more stringent disposal requirements for spent catalysts containing metals. This report discusses a collaborative effort between Pacific Northwest National Laboratory (PNNL) and Phillips Petroleum, Inc., to identify promising chemical processes for removing metals adhered to spent hydrodesulfurization (HDS, a type of hydrotreating catalyst) and FCC catalysts. This study, conducted by PNNL, was funded by the US Department of Energy's Bartlesville Project Office. Fresh and spent catalysts were provided by Phillips Petroleum. The FCC catalyst was a rare-earth exchanged

  4. Ultrafast visualization of crystallization and grain growth in shock-compressed SiO2

    SciTech Connect

    Gleason, A. E.; Bolme, C. A.; Lee, H. J.; Nagler, B.; Galtier, E.; Milathianaki, D.; Hawreliak, J.; Kraus, R. G.; Eggert, J. H.; Fratanduono, D. E.; Collins, G. W.; Sandberg, R.; Yang, W.; Mao, W. L.

    2015-09-04

    Pressure- and temperature-induced phase transitions have been studied for more than a century but very little is known about the non-equilibrium processes by which the atoms rearrange. Shock compression generates a nearly instantaneous propagating high-pressure/temperature condition while in situ X-ray diffraction (XRD) probes the time-dependent atomic arrangement. Here we present in situ pump–probe XRD measurements on shock-compressed fused silica, revealing an amorphous to crystalline high-pressure stishovite phase transition. Using the size broadening of the diffraction peaks, the growth of nanocrystalline stishovite grains is resolved on the nanosecond timescale just after shock compression. At applied pressures above 18 GPa the nuclueation of stishovite appears to be kinetically limited to 1.4±0.4 ns. The functional form of this grain growth suggests homogeneous nucleation and attachment as the growth mechanism. As a result, these are the first observations of crystalline grain growth in the shock front between low- and high-pressure states via XRD.

  5. Manufacturing and quality control of FCC harnesses

    NASA Technical Reports Server (NTRS)

    Malohm, W. L.; Vandergriff, J.

    1972-01-01

    The Saturn 5 program contractors encountered many technological challenges and problems relative to inter-connecting wiring and cabling during the development stages of the Saturn program. The knowledge gained from solving these problems, plus recently developed state-of-the-art techniques, materials, and processes were documented in a report prepared for NASA/MSFC. The portions of that report which deal with FCC harnesses are presented.

  6. Computer simulation of FCC riser reactors.

    SciTech Connect

    Chang, S. L.; Golchert, B.; Lottes, S. A.; Petrick, M.; Zhou, C. Q.

    1999-04-20

    A three-dimensional computational fluid dynamics (CFD) code, ICRKFLO, was developed to simulate the multiphase reacting flow system in a fluid catalytic cracking (FCC) riser reactor. The code solve flow properties based on fundamental conservation laws of mass, momentum, and energy for gas, liquid, and solid phases. Useful phenomenological models were developed to represent the controlling FCC processes, including droplet dispersion and evaporation, particle-solid interactions, and interfacial heat transfer between gas, droplets, and particles. Techniques were also developed to facilitate numerical calculations. These techniques include a hybrid flow-kinetic treatment to include detailed kinetic calculations, a time-integral approach to overcome numerical stiffness problems of chemical reactions, and a sectional coupling and blocked-cell technique for handling complex geometry. The copyrighted ICRKFLO software has been validated with experimental data from pilot- and commercial-scale FCC units. The code can be used to evaluate the impacts of design and operating conditions on the production of gasoline and other oil products.

  7. Temperature and orientation dependent plasticity features of Cu and Al single crystals under axial compression. 1: Lattice rotation effects and true hardening stages

    SciTech Connect

    Mecif, A.; Bacroix, B.; Franciosi, P.

    1997-01-01

    Compressive axial loadings are performed on differently oriented aluminium and copper single crystals between room temperature and 0.9 times the melting temperature. In this first part of the work, attention is paid to the influence on the hardening evolution of the type of active strain mechanisms and the associated lattice rotations. The lattice rotation amplitudes for unstable orientations decrease when the temperature increases and almost vanish above 0.7 T{sub m}. Octahedral straight slip traces evolve into weavy and distant ones, and occurrence of non-octahedral slip is observed. The stress-strain curves are resolved on the dominant octahedral slip system. The comparison for different orientations of this reference hardening modulus allows to separate lattice rotation effects and true hardening stages. This representation allows to estimate to what extent hardening characteristics can be considered as orientation independent. Part II, devoted to quantitative analyses on these hardening parameters, will follow.

  8. Mechanical Properties and Microstructure of the CoCrFeMnNi High Entropy Alloy Under High Strain Rate Compression

    NASA Astrophysics Data System (ADS)

    Wang, Bingfeng; Fu, Ao; Huang, Xiaoxia; Liu, Bin; Liu, Yong; Li, Zezhou; Zan, Xiang

    2016-07-01

    The equiatomic CoCrFeMnNi high entropy alloy, which crystallizes in the face-centered cubic (FCC) crystal structure, was prepared by the spark plasma sintering technique. Dynamic compressive tests of the CoCrFeMnNi high entropy alloy were deformed at varying strain rates ranging from 1 × 103 to 3 × 103 s-1 using a split-Hopkinson pressure bar (SHPB) system. The dynamic yield strength of the CoCrFeMnNi high entropy alloy increases with increasing strain rate. The Zerilli-Armstrong (Z-A) plastic model was applied to model the dynamic flow behavior of the CoCrFeMnNi high entropy alloy, and the constitutive relationship was obtained. Serration behavior during plastic deformation was observed in the stress-strain curves. The mechanism for serration behavior of the alloy deformed at high strain rate is proposed.

  9. Characterization of x-ray imaging crystal spectrometer for high-resolution spatially-resolved x-ray Thomson scattering measurements in shock-compressed experiments

    NASA Astrophysics Data System (ADS)

    Lu, J.; Hill, K. W.; Bitter, M.; Pablant, N. A.; Delgado-Aparicio, L. F.; Efthimion, P. C.; Lee, H. J.; Zastrau, U.

    2017-01-01

    We have proposed, designed and built a dual-channel x-ray imaging crystal spectrometer (XICS) for spectrally- and spatially-resolved x-ray Thomson scattering (XRTS) measurements in the Matter in Extreme Conditions (MEC) end station at the Linac Coherent Light Source (LCLS). This spectrometer employs two spherically-bent germanium (Ge) 220 crystals, which are combined to form a large aperture dispersive element with a spectral bandwidth of 300 eV that enables both the elastic and inelastic x-ray scattering peaks to be simultaneously measured. The apparatus and its characterization are described. A resolving power of 1900 was demonstrated and a spatial resolution of 12 μm was achieved in calibration tests. For XRTS measurements, a narrow-bandwidth (ΔE/E<0.003) LCLS x-ray free electron laser (XFEL) beam at 5.07 keV was used to probe a dense carbon plasma produced in shock-compressed samples of different forms of carbon. Preliminary results of the scattering experiments from Pyrolytic Graphite samples that illustrate the utility of the instrument are presented.

  10. Crystal structures and compressibility of novel iron borides Fe2B7 and FexB50 synthesized at high pressure and high temperature

    NASA Astrophysics Data System (ADS)

    Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.

    2015-10-01

    We present here a detailed description of the crystal structures of novel iron borides, Fe2B7 and FexB50 with various iron content (x=1.01(1), 1.04(1), 1.32(1)), synthesized at high pressures and high temperatures. As revealed by high-pressure single-crystal X-ray diffraction, the structure of Fe2B7 possesses short incompressible B-B bonds, which make it as stiff as diamond in one crystallographic direction. The volume compressibility of Fe2B7 (the bulk modulus K0= 259(1.8) GPa, K0‧= 4 (fixed)) is even lower than that of FeB4 and comparable with that of MnB4, known for high bulk moduli among 3d metal borides. FexB50 adopts the structure of the tetragonal δ-B, in which Fe atoms occupy an interstitial position. FexB50 does not show considerable anisotropy in the elastic behavior.

  11. MD simulation of steady shock-wave fronts with phase transition in single-crystal iron

    NASA Astrophysics Data System (ADS)

    Zhakhovsky, V. V.; Migdal, K. P.; Inogamov, N. A.; Anisimov, S. I.

    2017-01-01

    Overdriven shock waves propagating in main crystallographic directions of single-crystal bcc iron were studied with moving-window molecular dynamics (MD) technique. To simulate correctly the shock-induced bcc-to-hcp phase transition in iron a new EAM potential fitted to the cold pressure curves and pressure transition at 13 GPa was developed with the stress matching method. We demonstrate that structure of shock fronts depends on orientation of crystal. A peculiar structure of steady shock-wave front in [100] direction is observed. While the ultra-fast α → ɛ transition initiated in uniaxially compressed crystal along [100] in elastic zone transforms bcc completely to hcp phase, transformation in other directions is performed only partially with production of metastable composition of nanometer-sized bcc-hcp-fcc grains.

  12. Detection of the Impact of Ice Crystal Accretion in an Aircraft Engine Compression System During Dynamic Operation

    NASA Technical Reports Server (NTRS)

    May, Ryan D.; Simon, Donald L.; Guo, Ten-Huei

    2014-01-01

    The accretion of ice in the compression system of commercial gas turbine engines operating in high ice water content conditions is a safety issue being studied by the aviation community. While most of the research focuses on the underlying physics of ice accretion and the meteorological conditions in which accretion can occur, a systems-level perspective on the topic lends itself to potential near-term operational improvements. Here a detection algorithm is developed which has the capability to detect the impact of ice accretion in the Low Pressure Compressor of an aircraft engine during steady flight as well as during changes in altitude. Unfortunately, the algorithm as implemented was not able to distinguish throttle changes from ice accretion and thus more work remains to be done.

  13. Studies of dynamic properties of shock compressed single crystals by in situ dynamic x-ray diffraction and sample recovery

    SciTech Connect

    Meyers, Marc A.; Schneider, M. S.; Jarmakani, H.; Kad, B.; Remington, B. A.; Kalantar, D. H.; McNaney, J.; Cao, B.; Belak, J.; E Bringa, G. Collins; Paisley, D.; Holian, B.; Lomdahl, P.; Boehly, T. R; Wark, J.

    2007-05-05

    Laser compression provides pressures ranging from a few to hundreds of GPa at pulse durations of the order of nanoseconds or fractions thereof. The short duration ensures a rapid decay of the pulse and quenching of shocked sample in times that are orders of magnitude lower than in conventional explosively driven plate impact experiments. Systematic experiments carried out in specimens well suited for transmission electron microscopy characterization are revealing that laser compression, by virtue of a much more rapid cooling, enables the retention of a deformation structure closer to the one existing during shock. The smaller pulse length decreases the propensity for localization. Copper and copper aluminum (2 and 6 wt% Al) with orientations [001] and [ ] were subjected to high intensity laser pulses with energy levels of 70 to 300 J delivered in a pulse duration of approximately 3 ns. Systematic differences of the defect substructure were observed as a function of pressure and stacking fault energy. The changes in the mechanical properties for each condition were compared using micro- and nano-hardness measurements and correlated well with observations of the defect substructure. Three regimes of plastic deformation were identified and their transitions modeled: dislocation cells, stacking faults, and twins. An existing constitutive description of the slip to twinning transition, based on the critical shear stress, was expanded to incorporate the effect of stacking-fault energy. A new physically-based criterion accounting for stacking fault energy was developed that describes the transition from perfect loop to partial loop homogeneous nucleation, and consequently from cells to stacking faults. These calculations predict transitions that are in qualitative agreement with the effect of SFE.

  14. Stacking fault energy in FCC plutonium with multiple reference states in the modified embedded atom method

    NASA Astrophysics Data System (ADS)

    Valone, S. M.; Baskes, M. I.; Rudin, S. P.

    2012-03-01

    Basic concepts from the multi-reference state formalism for determining the functions for the modified embedded atom method (MEAM) are adopted to modeling elemental plutonium (Pu). In the case of elemental Pu, the focus is on the background electron density. Here we utilize a portion of the formalism that determines the structure of the background density necessary to capture correct phase ordering between fcc and ideal hcp crystal structures. The critical information comes from cold curves, that is the energy/volume relationships, for these phases. Practically speaking, the energy difference between these two phases determines the stacking fault energy of the material. At the same time, the simple monoclinic phase of elemental Pu also becomes higher in energy at the equilibrium volume of the fcc phase. The new model is based on first-principles electronic structure calculations and captures the basic phase ordering of those calculations.

  15. Thermodynamic stability and structural properties of cluster crystals formed by amphiphilic dendrimers

    NASA Astrophysics Data System (ADS)

    Lenz, Dominic A.; Mladek, Bianca M.; Likos, Christos N.; Blaak, Ronald

    2016-05-01

    We pursue the goal of finding real-world examples of macromolecular aggregates that form cluster crystals, which have been predicted on the basis of coarse-grained, ultrasoft pair potentials belonging to a particular mathematical class [B. M. Mladek et al., Phys. Rev. Lett. 46, 045701 (2006)]. For this purpose, we examine in detail the phase behavior and structural properties of model amphiphilic dendrimers of the second generation by means of monomer-resolved computer simulations. On augmenting the density of these systems, a fluid comprised of clusters that contain several overlapping and penetrating macromolecules is spontaneously formed. Upon further compression of the system, a transition to multi-occupancy crystals takes place, the thermodynamic stability of which is demonstrated by means of free-energy calculations, and where the FCC is preferred over the BCC-phase. Contrary to predictions for coarse-grained theoretical models in which the particles interact exclusively by effective pair potentials, the internal degrees of freedom of these molecules cause the lattice constant to be density-dependent. Furthermore, the mechanical stability of monodisperse BCC and FCC cluster crystals is restricted to a bounded region in the plane of cluster occupation number versus density. The structural properties of the dendrimers in the dense crystals, including their overall sizes and the distribution of monomers are also thoroughly analyzed.

  16. Data Compression.

    ERIC Educational Resources Information Center

    Bookstein, Abraham; Storer, James A.

    1992-01-01

    Introduces this issue, which contains papers from the 1991 Data Compression Conference, and defines data compression. The two primary functions of data compression are described, i.e., storage and communications; types of data using compression technology are discussed; compression methods are explained; and current areas of research are…

  17. Ground state searches in fcc intermetallics

    SciTech Connect

    Wolverton, C.; de Fontaine, D. ); Ceder, G. ); Dreysse, H. . Lab. de Physique du Solide)

    1991-12-01

    A cluster expansion is used to predict the fcc ground states, i.e., the stable phases at zero Kelvin as a function of composition, for alloy systems. The intermetallic structures are not assumed, but derived regorously by minimizing the configurational energy subject to linear constraints. This ground state search includes pair and multiplet interactions which spatially extend to fourth nearest neighbor. A large number of these concentration-independent interactions are computed by the method of direct configurational averaging using a linearized-muffin-tin orbital Hamiltonian cast into tight binding form (TB-LMTO). The interactions, derived without the use of any adjustable or experimentally obtained parameters, are compared to those calculated via the generalized perturbation method extention of the coherent potential approximation within the context of a KKR Hamiltonian (KKR-CPA-GPM). Agreement with the KKR-CPA-GPM results is quite excellent, as is the comparison of the ground state results with the fcc-based portions of the experimentally-determined phase diagrams under consideration.

  18. 47 CFR 95.117 - Where to contact the FCC.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 5 2013-10-01 2013-10-01 false Where to contact the FCC. 95.117 Section 95.117 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES PERSONAL RADIO SERVICES General Mobile Radio Service (GMRS) § 95.117 Where to contact the FCC. Additional GMRS...

  19. 47 CFR 95.117 - Where to contact the FCC.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Where to contact the FCC. 95.117 Section 95.117 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES PERSONAL RADIO SERVICES General Mobile Radio Service (GMRS) § 95.117 Where to contact the FCC. Additional GMRS...

  20. 47 CFR 95.117 - Where to contact the FCC.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 5 2014-10-01 2014-10-01 false Where to contact the FCC. 95.117 Section 95.117 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES PERSONAL RADIO SERVICES General Mobile Radio Service (GMRS) § 95.117 Where to contact the FCC. Additional GMRS...

  1. 47 CFR 95.117 - Where to contact the FCC.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 5 2011-10-01 2011-10-01 false Where to contact the FCC. 95.117 Section 95.117 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES PERSONAL RADIO SERVICES General Mobile Radio Service (GMRS) § 95.117 Where to contact the FCC. Additional GMRS...

  2. 47 CFR 95.117 - Where to contact the FCC.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 5 2012-10-01 2012-10-01 false Where to contact the FCC. 95.117 Section 95.117 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES PERSONAL RADIO SERVICES General Mobile Radio Service (GMRS) § 95.117 Where to contact the FCC. Additional GMRS...

  3. 47 CFR 76.1714 - FCC rules and regulations.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 4 2010-10-01 2010-10-01 false FCC rules and regulations. 76.1714 Section 76.1714 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) BROADCAST RADIO SERVICES MULTICHANNEL VIDEO AND CABLE TELEVISION SERVICE Documents to be Maintained for Inspection § 76.1714 FCC...

  4. 47 CFR 73.4000 - Listing of FCC policies.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 4 2010-10-01 2010-10-01 false Listing of FCC policies. 73.4000 Section 73... BROADCAST SERVICES Rules Applicable to All Broadcast Stations § 73.4000 Listing of FCC policies. The following sections list, solely for the purpose of reference and convenience, certain Policies of the...

  5. 76 FR 10827 - Modernizing the FCC Form 477 Data Program

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-02-28

    ... submitting comments. Federal Communications Commission's Web Site: http://fjallfoss.fcc.gov/ecfs2/ . Follow... available on the Commission's Web site at http://www.fcc.gov . Pursuant to Sec. Sec. 1.415 and 1.419 of the... . Filers should follow the instructions provided on the Web site for submitting comments. For ECFS...

  6. Saddle-point equilibrium lines between fcc and bcc phases in Al and Ca from first principles

    NASA Astrophysics Data System (ADS)

    Qiu, S. L.; Marcus, P. M.

    2013-10-01

    Phase equilibrium lines (denoted ph-eq lines) of face-centered-cubic (fcc) and body-centered-cubic (bcc) phases, as well as saddle-point equilibrium lines (denoted sp-eq lines) in Al and Ca are studied by first-principles total-energy calculations. For a non-vibrating crystal of Al we determine the transition pressure p t = 2.62 Mbar from fcc to bcc phase. The sp-eq line lies between the two ph-eq lines, merges with the bcc-eq line at V = 61 au3/atom ( p = 1.64 Mbar) and with the fcc-eq line at V = 42.4 au3/atom ( p = 5.50 Mbar), gives the Gibbs free energy barrier ΔG = 0.64 mRy/atom at p t . The bcc phase is unstable below 1.64 Mbar, while the fcc phase is unstable above 5.50 Mbar. In a non-vibrating crystal of Ca two sp-eq lines (denoted sp1-eq line and sp2-eq line, respectively) are found corresponding to two phase transitions: one is from fcc to bcc at p t1 = 89.6 kbar, the other is from bcc to fcc at p t2 = 787 kbar. The sp1-eq line merges with the bcc-eq line at V = 231 au3/atom ( p = 50 kbar) and with the fcc-eq line at V = 183 au3/atom ( p = 174 kbar), gives a barrier of Δ G 1 = 0.62 mRy/atom at p t1. The sp2-eq line merges with the bcc-eq line at V = 90 au3/atom ( p = 981 kbar) and with the fcc-eq line at V = 110 au3/atom ( p = 624 kbar), gives a barrier of Δ G 2 = 1.1 mRy/atom at p t2. The bcc phase is stable in the range from 50 kbar to 981 kbar but unstable outside this range, while the fcc phase is unstable in the range from 174 to 624 kbar but stable outside this range. This work confirms all the features of the sp-eq line described in our recent work [S.L. Qiu, P.M. Marcus, J. Phys.: Condens. Matter 24, 225501 (2012)] and finds two additional features: (1) there are two sp-eq lines corresponding to the two phase transitions between fcc and bcc phases in Ca; (2) fcc phase of Ca is unstable between the two merge points on the fcc-eq line but stable beyond them, while bcc phase of Ca is stable between the two merge points on the bcc-eq line but

  7. Microstructure and mechanical properties of bulk highly faulted fcc/hcp nanostructured cobalt microstructures

    SciTech Connect

    Barry, Aliou Hamady; Dirras, Guy; Schoenstein, Frederic; Tétard, Florent; Jouini, Noureddine

    2014-05-01

    Nanostructured cobalt powders with an average particle size of 50 nm were synthesized using a polyol method and subsequently consolidated by spark plasma sintering (SPS). SPS experiments performed at 650 °C with sintering times ranging from 5 to 45 min under a pressure of 100 MPa, yielded to dense bulk nanostructured cobalt (relative density greater than 97%). X-ray diffraction patterns of the as-prepared powders showed only a face centered cubic (fcc) crystalline phase, whereas the consolidated samples exhibited a mixture of both fcc and hexagonal close packed (hcp) phases. Transmission electron microscopy observations revealed a lamellar substructure with a high density of nanotwins and stacking faults in every grain of the sintered samples. Room temperature compression tests, carried out at a strain rate of 10{sup −3} s{sup −1}, yielded to highest strain to fracture values of up to 5% for sample of holding time of 15 min, which exhibited a yield strength of 1440 MPa, an ultimate strength as high as 1740 MPa and a Young's modulus of 205 GPa. The modulus of elasticity obtained from the nanoindentation tests, ranges from 181 to 218 GPa. The lowest modulus value of 181 GPa was obtained for the sample with the highest sintering time (45 min), which could be related to mass density loss as a consequence of trapped gases releasing. - Highlights: • Co nanopowder (50 nm) was prepared by reduction in polyol medium. • SPS was used to process bulk nanostructured Co specimens. • Microstructures were made of intricate fcc/hcp, along with nanotwins and SFs. • High strengths and moderate compressive ductility were obtained. • Deformation mechanisms related to complex interplay of different length scales.

  8. 47 CFR 73.878 - Station inspections by FCC; availability to FCC of station logs and records.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... of station logs and records. 73.878 Section 73.878 Telecommunication FEDERAL COMMUNICATIONS... (LPFM) § 73.878 Station inspections by FCC; availability to FCC of station logs and records. (a) The...) Station records and logs shall be made available for inspection or duplication at the request of the...

  9. 47 CFR 73.878 - Station inspections by FCC; availability to FCC of station logs and records.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... of station logs and records. 73.878 Section 73.878 Telecommunication FEDERAL COMMUNICATIONS... (LPFM) § 73.878 Station inspections by FCC; availability to FCC of station logs and records. (a) The...) Station records and logs shall be made available for inspection or duplication at the request of the...

  10. 47 CFR 73.878 - Station inspections by FCC; availability to FCC of station logs and records.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... of station logs and records. 73.878 Section 73.878 Telecommunication FEDERAL COMMUNICATIONS... (LPFM) § 73.878 Station inspections by FCC; availability to FCC of station logs and records. (a) The...) Station records and logs shall be made available for inspection or duplication at the request of the...

  11. 47 CFR 73.878 - Station inspections by FCC; availability to FCC of station logs and records.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... of station logs and records. 73.878 Section 73.878 Telecommunication FEDERAL COMMUNICATIONS... (LPFM) § 73.878 Station inspections by FCC; availability to FCC of station logs and records. (a) The...) Station records and logs shall be made available for inspection or duplication at the request of the...

  12. 47 CFR 73.878 - Station inspections by FCC; availability to FCC of station logs and records.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... of station logs and records. 73.878 Section 73.878 Telecommunication FEDERAL COMMUNICATIONS... (LPFM) § 73.878 Station inspections by FCC; availability to FCC of station logs and records. (a) The...) Station records and logs shall be made available for inspection or duplication at the request of the...

  13. Microcalorimetry of oxygen adsorption on fcc Co{110}.

    PubMed

    Liao, Kristine; Fiorin, Vittorio; Jenkins, Stephen J; King, David A

    2012-05-28

    The coverage dependent heats of adsorption and sticking probabilities for oxygen on fcc Co{110} have been measured at 300 K using single crystal adsorption calorimetry (SCAC). Initial adsorption is consistent with dissociative chemisorption at low coverage followed by oxide formation above 0.6 ML coverage. The initial heat of adsorption of 633 kJ mol(-1) is similar to heat values calorimetrically measured on other ferromagnetic metal surfaces, such as nickel and iron. As the coverage increases, the heat of adsorption and sticking probability drop very rapidly up to the onset of oxidation. As already observed for other oxygen-metal surface systems, strong lateral adatom repulsions are responsible for the transition from the chemisorption regime to oxide film formation at higher coverage. The heat of oxide formation at the onset is 475 kJ mol(-1), which is consistent with the formation of CoO crystallites. The oxide film formation is discussed in terms of nucleation and island growth, and the Mott-Cabrera mechanisms, the latter being evidenced by the relatively constant heat of adsorption and sticking probability in contrast to the nickel and iron oxidation cases.

  14. Structure and magnetism in fcc magnetic transition metals on (001) diamond (abstract)

    NASA Astrophysics Data System (ADS)

    Wolf, J. A.; Krebs, J. J.; Idzerda, Y. U.; Prinz, G. A.; Kemner, K. M.

    1996-04-01

    We have prepared single crystal face centered cubic (fcc) magnetic transition metal films (Co,Ni,Fe) on (001) diamonds, the thickness of the films varying between a few tenths of a nanometer to over 100 nm. The crystalline quality and fourfold symmetry of these layers was monitored in situ during the film growth with RHEED and a chemical analysis was performed using Auger spectroscopy. In addition, the structure of the samples was investigated ex situ using X-ray diffraction and EXAFS, demonstrating the single crystal, fcc (001) structure throughout each entire film. The magnetic characterization was performed with Ferromagnetic Resonance (FMR) and Superconducting Quantum Interference Device (SQUID) hysteresis loops. The saturation magnetization of the Co films is only slightly lower than the literature values. The coercive fields are very small (˜25 Oe) and the magnetization reversal very sharp. The FMR yielded a fourfold anisotropy comparable to literature values. The observation of the first standing spinwaves underlines the good quality. The Ni films are tetragonally distorted due to the 1.2% mismatch. The FMR data indicate a significant perpendicular anisotropy slightly smaller than 4πM, the fourfold in-plane anisotropy being comparable to the bulk value. The saturation magnetization is reduced by 30% compared to bulk values, probably due to nickel-carbide which was observed in the XRD data from some samples. Neither the in-plane <110> nor the in-plane <100> axis show an easy axis behavior and both require fields in excess of 6000 Oe to saturate, the coercive fields being about 200 Oe. The RHEED patterns of the Fe films show single crystal growth with a lattice constant comparable to diamond, indicating an fcc structure. A similar structural and magnetic characterization of these films will also be presented.

  15. Crack Tip Dislocation Nucleation in FCC Solids

    NASA Astrophysics Data System (ADS)

    Knap, J.; Sieradzki, K.

    1999-02-01

    We present results of molecular dynamic simulations aimed at examining crack tip dislocation emission in fcc solids. The results are analyzed in terms of recent continuum formulations of this problem. In mode II, Au, Pd, and Pt displayed a new unanticipated mechanism of crack tip dislocation emission involving the creation of a pair of Shockley partials on a slip plane one plane below the crack plane. In mode I, for all the materials examined, Rice's continuum formulation [J. Mech. Phys. Solids 40, 239 (1992)] underestimated the stress intensity for dislocation emission by almost a factor of 2. Surface stress corrections to the emission criterion brought the agreement between continuum predictions and simulations to within 20%.

  16. Comparison of void strengthening in fcc and bcc metals : large-scale atomic-level modelling.

    SciTech Connect

    Osetskiy, Yury N; Bacon, David J

    2005-01-01

    Strengthening due to voids can be a significant radiation effect in metals. Treatment of this by elasticity theory of dislocations is difficult when atomic structure of the obstacle and dislocation is influential. In this paper, we report results of large-scale atomic-level modelling of edge dislocation-void interaction in fcc (copper) and bcc (iron) metals. Voids of up to 5 nm diameter were studied over the temperature range from 0 to 600 K. We demonstrate that atomistic modelling is able to reveal important effects, which are beyond the continuum approach. Some arise from features of the dislocation core and crystal structure, others involve dislocation climb and temperature effects.

  17. Graphene oxide-templated synthesis of ultrathin or tadpole-shaped au nanowires with alternating hcp and fcc domains.

    PubMed

    Huang, Xiao; Li, Shaozhou; Wu, Shixin; Huang, Yizhong; Boey, Freddy; Gan, Chee Lip; Zhang, Hua

    2012-02-14

    Ultrathin Au nanowires (AuNWs) and tadpole-shaped nanowires are synthesized on graphene oxide (GO) sheet templates. For the first time, 1.6 nm-diameter AuNWs are shown to contain hexagonal close-packed (hcp) crystal domains, and the tadpole-shaped nanowires exhibit alternating sets of hcp and face-centered cubic (fcc) structures, associated with variation in wire thickness.

  18. High-pressure behavior of fcc phase FeHx

    NASA Astrophysics Data System (ADS)

    Thompson, E. C.; Chidester, B.; Fischer, R. A.; Prakapenka, V.; Bi, W.; Alp, E. E.; Campbell, A. J.

    2015-12-01

    Earth's core is composed of iron with the inclusion of light elements to compensate for the difference between seismically obtained densities and the density of pure Fe at relevant pressure and temperature conditions. As the most abundant and lightest element in the solar system, hydrogen is a plausible contributor to this core density deficit. Nearly stoichiometric iron hydride (FeHx) has been shown to result from the reaction of Fe and hydrous silicates, and is stable up to at least 80 GPa [1]. Iron hydride formation at Earth's surface is unlikely because the equilibrium hydrogen solubility in iron at atmospheric conditions is prohibitively low, yet as hydrogen solubility increases with pressure, so does the likelihood of FeHx formation within the Earth's interior [2]. Recent experimental and ab initio attempts disagree on the equation of state parameters needed to describe the compressional behavior of FeHx [3-5]. The work presented here combines synchrotron x-ray diffraction of laser-heated diamond anvil cell compressed samples with high-pressure, ambient temperature nuclear resonant inelastic scattering (NRIXS) and synchrotron Mössbauer spectroscopy (SMS) to better constrain the behavior of the fcc phase of FeHx at elevated pressures and temperatures. By pairing P-V-T data for iron hydride with the sound velocity information available through high-pressure NRIXS studies, we can better understand the degree to which hydrogen may contribute to the density deficit of Earth's iron core. [1] Antonov et al. (1998) J. Alloys Compd. 264, 214-222 [2] Fukai and Akimoto (1983) Proc. Japan Acad. 59, 158-162 [3] Pépin et al. (2014) Phys. Rev. Lett. 265504, 1-5 [4] Hirao (2004) Geophys. Res. Lett. 31, L06616 [5] Badding et al. (1991) Science. 253, 421-424

  19. Stability of the fcc structure in block copolymer systems.

    PubMed

    Nonomura, Makiko

    2008-11-19

    The stability of the face-centered cubic (fcc) structure in microphase separated copolymers is investigated by a coarse-grained approach. Direct simulations of the equation for the microphase separation in three dimensions indicate that there is a narrow area above a certain degree of segregation in the phase diagram, where the fcc structure is the most stable structure. By employing the mode expansion, we have confirmed that the fcc structure can form as a metastable structure even in the weak segregation regime.

  20. Elemental vacancy diffusion database from high-throughput first-principles calculations for fcc and hcp structures

    NASA Astrophysics Data System (ADS)

    Angsten, Thomas; Mayeshiba, Tam; Wu, Henry; Morgan, Dane

    2014-01-01

    This work demonstrates how databases of diffusion-related properties can be developed from high-throughput ab initio calculations. The formation and migration energies for vacancies of all adequately stable pure elements in both the face-centered cubic (fcc) and hexagonal close packing (hcp) crystal structures were determined using ab initio calculations. For hcp migration, both the basal plane and z-direction nearest-neighbor vacancy hops were considered. Energy barriers were successfully calculated for 49 elements in the fcc structure and 44 elements in the hcp structure. These data were plotted against various elemental properties in order to discover significant correlations. The calculated data show smooth and continuous trends when plotted against Mendeleev numbers. The vacancy formation energies were plotted against cohesive energies to produce linear trends with regressed slopes of 0.317 and 0.323 for the fcc and hcp structures respectively. This result shows the expected increase in vacancy formation energy with stronger bonding. The slope of approximately 0.3, being well below that predicted by a simple fixed bond strength model, is consistent with a reduction in the vacancy formation energy due to many-body effects and relaxation. Vacancy migration barriers are found to increase nearly linearly with increasing stiffness, consistent with the local expansion required to migrate an atom. A simple semi-empirical expression is created to predict the vacancy migration energy from the lattice constant and bulk modulus for fcc systems, yielding estimates with errors of approximately 30%.

  1. Isentropic Compression of Argon

    SciTech Connect

    H. Oona; J.C. Solem; L.R. Veeser, C.A. Ekdahl; P.J. Rodriquez; S.M. Younger; W. Lewis; W.D. Turley

    1997-08-01

    We are studying the transition of argon from an insulator to a conductor by compressing the frozen gas isentropically to pressures at which neighboring atomic orbitals overlap sufficiently to allow some electron motion between atoms. Argon and the other rare gases have closed electron shells and therefore remain montomic, even when they solidify. Their simple structure makes it likely that any measured change in conductivity is due to changes in the atomic structure, not in molecular configuration. As the crystal is compressed the band gap closes, allowing increased conductivity. We have begun research to determine the conductivity at high pressures, and it is our intention to determine the compression at which the crystal becomes a metal.

  2. Reformulated gasoline will change FCC operations and catalysts

    SciTech Connect

    Stokes, G.M.; Wear, C.C.; Suarez, W.; Young, G.W. )

    1990-07-02

    Operation of fluid catalytic cracking units (FCCUs) will be significantly affected by new regulations that will in all probability require gasoline to be produced with lower aromatics and olefins contents, lower vapor pressure, and a minimum oxygen content. This paper reports on a study conducted to better define the basic relationship between operating variables, including catalyst and naphtha quality, in the context of reformulated gasoline. The study helped to define specific operating strategies, potential problem areas, and opportunities for improved FCC unit and catalyst technologies. FCC feedstock quality can have a significant influence on the composition of FCC naphtha. However, even extremely paraffinic or aromatic feeds can yield substantial levels of both olefins and aromatics in FCC naphtha, particularly when compared to the levels proposed in a reformulated gasoline pool.

  3. DNABIT Compress - Genome compression algorithm.

    PubMed

    Rajarajeswari, Pothuraju; Apparao, Allam

    2011-01-22

    Data compression is concerned with how information is organized in data. Efficient storage means removal of redundancy from the data being stored in the DNA molecule. Data compression algorithms remove redundancy and are used to understand biologically important molecules. We present a compression algorithm, "DNABIT Compress" for DNA sequences based on a novel algorithm of assigning binary bits for smaller segments of DNA bases to compress both repetitive and non repetitive DNA sequence. Our proposed algorithm achieves the best compression ratio for DNA sequences for larger genome. Significantly better compression results show that "DNABIT Compress" algorithm is the best among the remaining compression algorithms. While achieving the best compression ratios for DNA sequences (Genomes),our new DNABIT Compress algorithm significantly improves the running time of all previous DNA compression programs. Assigning binary bits (Unique BIT CODE) for (Exact Repeats, Reverse Repeats) fragments of DNA sequence is also a unique concept introduced in this algorithm for the first time in DNA compression. This proposed new algorithm could achieve the best compression ratio as much as 1.58 bits/bases where the existing best methods could not achieve a ratio less than 1.72 bits/bases.

  4. Selection of the Space Station Freedom (SSF) Flat Collector Circuit (FCC) insulation material

    NASA Technical Reports Server (NTRS)

    Emerson, Dawn

    1994-01-01

    The topics are presented in viewgraph form and include the following: function of the Space Station Freedom (SSF) Flat Collector Circuit (FCC); requirements of the FCC which affect the selection of the insulation material; data to support the selection of the FCC insulation material; development history; modified design; coverlay testing; effects on modified design on FCC; arc tracking tests performed on FCC; and arc tracking test results.

  5. Influence of compressive stress and electric field on the stability of [ 011 ] poled and [ 0 1 xAF 1 ] oriented 31-mode PZN-0.055PT single crystals

    NASA Astrophysics Data System (ADS)

    Heitmann, Adam A.; Stace, Joseph A.; Lim, Leong-Chew; Amin, Ahmed H.

    2016-06-01

    The effect of compressive stress, in the presence of an electrical field along the [ 011 ] direction, on the phase transition stability of [ 0 1 ¯ 1 ] oriented and [ 011 ] poled relaxor (1-x)Pb(Zn1/3Nb2/3)O3-xPbTiO3 (PZN-PT) single crystals in the transverse length extensional 31-mode geometry is investigated. The thermal, electrical, and mechanical stability range for operation lacking elastic instabilities is identified and compared with conventional 33 and 32-mode geometries with the near morphotropic composition of x ˜ 0.055. It is found that the 31-mode geometry retains the stable, room temperature ferroelectric rhombohedral (R) symmetry up to and exceeding compressive stresses, along the [ 0 1 ¯ 1 ] direction, of 90 MPa under zero field conditions. Under zero stress conditions, a phase transformation from the stable rhombohedral symmetry to the low symmetry ferroelectric orthorhombic (O) phase occurs in the presence of an electric field of 0.85 MV/m. Stabilization of the R-O phase transformation against electric field drive occurs as a function of compressive prestress, similar to the 33-mode geometry. And, under sufficiently large compressive stress, an R-T (or R-MA-T) transformation is identified and discussed.

  6. A self-consistent plasticity theory for modeling the thermo-mechanical properties of irradiated FCC metallic polycrystals

    NASA Astrophysics Data System (ADS)

    Xiao, Xiazi; Song, Dingkun; Xue, Jianming; Chu, Haijian; Duan, Huiling

    2015-05-01

    A self-consistent theoretical framework is developed to model the thermo-mechanical behaviors of irradiated face-centered cubic (FCC) polycrystalline metals at low to intermediate homologous temperatures. In this model, both irradiation and temperature effects are considered at the grain level with the assist of a tensorial plasticity crystal model, and the elastic-visocoplastic self-consistent method is applied for the scale transition from individual grains to macroscopic polycrystals. The proposed theory is applied to analyze the mechanical behaviors of irradiated FCC copper. It is found that: (1) the numerical results match well with experimental data, which includes the comparison of results for single crystals under the load in different directions, and for polycrystals with the influences of irradiation and temperature. Therefore, the feasibility and accuracy of the present model are well demonstrated. (2) The main irradiation effects including irradiation hardening, post-yield softening, strain-hardening coefficient (SHC) dropping and the non-zero stress offset are all captured by the proposed model. (3) The increase of temperature results in the decrease of yield strength and SHC. The former is attributed to the weakened dislocation-defect interaction, while the latter is due to the temperature-strengthened dynamic recovery of dislocations through the thermally activated mechanism. The present model may provide a theoretical guide to predict the thermo-mechanical behaviors of irradiated FCC metals for the selection of structural materials in nuclear equipment.

  7. High resolution transmission electron microscopy characterization of fcc --> 9R transformation in nanocrystalline palladium films due to hydriding

    NASA Astrophysics Data System (ADS)

    Amin-Ahmadi, Behnam; Idrissi, Hosni; Delmelle, Renaud; Pardoen, Thomas; Proost, Joris; Schryvers, Dominique

    2013-02-01

    Sputtered nanocrystalline palladium thin films with nanoscale growth twins have been subjected to hydriding cycles. The evolution of the twin boundaries has been investigated using high resolution transmission electron microscopy. Surprisingly, the ∑3{112} incoherent twin boundaries dissociate after hydriding into two phase boundaries bounding a 9R phase. This phase which corresponds to single stacking faults located every three {111} planes in the fcc Pd structure was not expected because of the high stacking fault energy of Pd. This observation is connected to the influence of the Hydrogen on the stacking fault energy of palladium and the high compressive stresses building up during hydriding.

  8. Compression embedding

    DOEpatents

    Sandford, M.T. II; Handel, T.G.; Bradley, J.N.

    1998-07-07

    A method and apparatus for embedding auxiliary information into the digital representation of host data created by a lossy compression technique and a method and apparatus for constructing auxiliary data from the correspondence between values in a digital key-pair table with integer index values existing in a representation of host data created by a lossy compression technique are disclosed. The methods apply to data compressed with algorithms based on series expansion, quantization to a finite number of symbols, and entropy coding. Lossy compression methods represent the original data as ordered sequences of blocks containing integer indices having redundancy and uncertainty of value by one unit, allowing indices which are adjacent in value to be manipulated to encode auxiliary data. Also included is a method to improve the efficiency of lossy compression algorithms by embedding white noise into the integer indices. Lossy compression methods use loss-less compression to reduce to the final size the intermediate representation as indices. The efficiency of the loss-less compression, known also as entropy coding compression, is increased by manipulating the indices at the intermediate stage. Manipulation of the intermediate representation improves lossy compression performance by 1 to 10%. 21 figs.

  9. Compression embedding

    DOEpatents

    Sandford, II, Maxwell T.; Handel, Theodore G.; Bradley, Jonathan N.

    1998-01-01

    A method and apparatus for embedding auxiliary information into the digital representation of host data created by a lossy compression technique and a method and apparatus for constructing auxiliary data from the correspondence between values in a digital key-pair table with integer index values existing in a representation of host data created by a lossy compression technique. The methods apply to data compressed with algorithms based on series expansion, quantization to a finite number of symbols, and entropy coding. Lossy compression methods represent the original data as ordered sequences of blocks containing integer indices having redundancy and uncertainty of value by one unit, allowing indices which are adjacent in value to be manipulated to encode auxiliary data. Also included is a method to improve the efficiency of lossy compression algorithms by embedding white noise into the integer indices. Lossy compression methods use loss-less compression to reduce to the final size the intermediate representation as indices. The efficiency of the loss-less compression, known also as entropy coding compression, is increased by manipulating the indices at the intermediate stage. Manipulation of the intermediate representation improves lossy compression performance by 1 to 10%.

  10. Color octet electron search potential of FCC based e–p colliders

    NASA Astrophysics Data System (ADS)

    Acar, Y. C.; Kaya, U.; Oner, B. B.; Sultansoy, S.

    2017-04-01

    Resonant production of color octet electrons, e 8, at the FCC based e–p colliders is analyzed. It is shown that e-FCC will cover much a wider region of e 8 masses compared to the LHC. Moreover, with the highest electron beam energy, the e 8 search potential of the e-FCC exceeds that of the FCC p–p collider. If e 8 is discovered earlier by the FCC p–p collider, e-FCC will give an opportunity to handle very important additional information. For example, the compositeness scale can be probed up to the hundreds of TeV region.

  11. Compression embedding

    DOEpatents

    Sandford, II, Maxwell T.; Handel, Theodore G.; Bradley, Jonathan N.

    1998-01-01

    A method of embedding auxiliary information into the digital representation of host data created by a lossy compression technique. The method applies to data compressed with lossy algorithms based on series expansion, quantization to a finite number of symbols, and entropy coding. Lossy compression methods represent the original data as integer indices having redundancy and uncertainty in value by one unit. Indices which are adjacent in value are manipulated to encode auxiliary data. By a substantially reverse process, the embedded auxiliary data can be retrieved easily by an authorized user. Lossy compression methods use loss-less compressions known also as entropy coding, to reduce to the final size the intermediate representation as indices. The efficiency of the compression entropy coding, known also as entropy coding is increased by manipulating the indices at the intermediate stage in the manner taught by the method.

  12. Compression embedding

    DOEpatents

    Sandford, M.T. II; Handel, T.G.; Bradley, J.N.

    1998-03-10

    A method of embedding auxiliary information into the digital representation of host data created by a lossy compression technique is disclosed. The method applies to data compressed with lossy algorithms based on series expansion, quantization to a finite number of symbols, and entropy coding. Lossy compression methods represent the original data as integer indices having redundancy and uncertainty in value by one unit. Indices which are adjacent in value are manipulated to encode auxiliary data. By a substantially reverse process, the embedded auxiliary data can be retrieved easily by an authorized user. Lossy compression methods use loss-less compressions known also as entropy coding, to reduce to the final size the intermediate representation as indices. The efficiency of the compression entropy coding, known also as entropy coding is increased by manipulating the indices at the intermediate stage in the manner taught by the method. 11 figs.

  13. Compressive Holography

    NASA Astrophysics Data System (ADS)

    Lim, Se Hoon

    Compressive holography estimates images from incomplete data by using sparsity priors. Compressive holography combines digital holography and compressive sensing. Digital holography consists of computational image estimation from data captured by an electronic focal plane array. Compressive sensing enables accurate data reconstruction by prior knowledge on desired signal. Computational and optical co-design optimally supports compressive holography in the joint computational and optical domain. This dissertation explores two examples of compressive holography: estimation of 3D tomographic images from 2D data and estimation of images from under sampled apertures. Compressive holography achieves single shot holographic tomography using decompressive inference. In general, 3D image reconstruction suffers from underdetermined measurements with a 2D detector. Specifically, single shot holographic tomography shows the uniqueness problem in the axial direction because the inversion is ill-posed. Compressive sensing alleviates the ill-posed problem by enforcing some sparsity constraints. Holographic tomography is applied for video-rate microscopic imaging and diffuse object imaging. In diffuse object imaging, sparsity priors are not valid in coherent image basis due to speckle. So incoherent image estimation is designed to hold the sparsity in incoherent image basis by support of multiple speckle realizations. High pixel count holography achieves high resolution and wide field-of-view imaging. Coherent aperture synthesis can be one method to increase the aperture size of a detector. Scanning-based synthetic aperture confronts a multivariable global optimization problem due to time-space measurement errors. A hierarchical estimation strategy divides the global problem into multiple local problems with support of computational and optical co-design. Compressive sparse aperture holography can be another method. Compressive sparse sampling collects most of significant field

  14. Precipitate Rafting in a Polycrystalline Superalloy During Compression Creep

    NASA Astrophysics Data System (ADS)

    Altincekic, Arun; Balikci, Ercan

    2014-12-01

    Rafting is an industrially and scientifically important phenomenon for precipitate-strengthened alloys utilized at high temperatures. Although this phenomenon is observed in polycrystalline alloys as well, the literature lacks scientific work on rafting in polycrystals. Scientific work is usually conducted on single-crystal superalloys. Being one of the many polycrystalline nickel-base superalloys, IN738LC has a good high-temperature strength and hot corrosion resistance. Coherency strains between the FCC gamma matrix ( γ)- and L12 gamma prime ( γ')-precipitate phase particles mainly provide the high-temperature strength in IN738LC. Conical IN738LC specimens have been aged under compression for various times [24, 192, 480, and 960 hours at 1223 K (950 °C) and 12, 24, 192, and 480 hours at 1323 K (1050 °C)] in order to observe the morphological evolution of the γ' precipitate microstructure. Dislocations play a determining role in morphological changes. Fingerprints of matrix dislocations in the form of indentations on γ' precipitates have been identified by scanning electron microscope. Precipitate morphology has become more complex through dissolution/merging as temperature, aging time, and stress have increased. The precipitate morphology has evolved toward rafting at appropriate strain, temperature, and time. Localized slip bands have marked the beginning of rafting. The rafts have been observed at around a 45 deg angle away from the load direction. For higher stress positions, there is a trend toward N-type rafting which is expected of a positive misfit alloy under compression. Rafts eventually have collapsed due to severe creep deformation.

  15. Impact of magnetic fluctuations on lattice excitations in fcc nickel.

    PubMed

    Körmann, Fritz; Ma, Pui-Wai; Dudarev, Sergei L; Neugebauer, Jörg

    2016-02-24

    The spin-space averaging formalism is applied to compute atomic forces and phonon spectra for magnetically excited states of fcc nickel. Transverse and longitudinal magnetic fluctuations are taken into account by a combination of magnetic special quasi random structures and constrained spin-density-functional theory. It turns out that for fcc Ni interatomic force constants and phonon spectra are almost unaffected by both kinds of spin fluctuations. Given the computational expense to simulate coupled magnetic and atomic fluctuations, this insight facilitates computational modeling of magnetic alloys such as Ni-based superalloys.

  16. Phase stability of ternary fcc and bcc Fe-Cr-Ni alloys

    NASA Astrophysics Data System (ADS)

    Wróbel, Jan S.; Nguyen-Manh, Duc; Lavrentiev, Mikhail Yu.; Muzyk, Marek; Dudarev, Sergei L.

    2015-01-01

    The phase stability of fcc and bcc magnetic binary Fe-Cr, Fe-Ni, and Cr-Ni alloys, and ternary Fe-Cr-Ni alloys is investigated using a combination of density functional theory (DFT), cluster expansion (CE), and magnetic cluster expansion (MCE) approaches. Energies, magnetic moments, and volumes of more than 500 alloy structures have been evaluated using DFT, and the predicted most stable configurations are compared with experimental observations. Deviations from the Vegard law in fcc Fe-Cr-Ni alloys, resulting from the nonlinear variation of atomic magnetic moments as functions of alloy composition, are observed. The accuracy of the CE model is assessed against the DFT data, where for ternary Fe-Cr-Ni alloys the cross-validation error is found to be less than 12 meV/atom. A set of cluster interaction parameters is defined for each alloy, where it is used for predicting new ordered alloy structures. The fcc Fe2CrNi phase with Cu2NiZn -like crystal structure is predicted to be the global ground state of ternary Fe-Cr-Ni alloys, with the lowest chemical ordering temperature of 650 K. DFT-based Monte Carlo (MC) simulations are applied to the investigation of order-disorder transitions in Fe-Cr-Ni alloys. The enthalpies of formation of ternary alloys predicted by MC simulations at 1600 K, combined with magnetic correction derived from MCE, are in excellent agreement with experimental values measured at 1565 K. The relative stability of fcc and bcc phases is assessed by comparing the free energies of alloy formation. The evaluation of the free energies involved the application of a dedicated algorithm for computing the configurational entropies of the alloys. Chemical order is analyzed, as a function of temperature and composition, in terms of the Warren-Cowley short-range order (SRO) parameters and effective chemical pairwise interactions. In addition to compositions close to binary intermetallic phases CrNi2, FeNi, FeNi3, and FeNi8, pronounced chemical order is found

  17. Bulk Nanostructured FCC Steels With Enhanced Radiation Tolerance

    SciTech Connect

    Zhang, Xinghang; Hartwig, K. Ted; Allen, Todd; Yang, Yong

    2012-10-27

    The objective of this project is to increase radiation tolerance in austenitic steels through optimization of grain size and grain boundary (GB) characteristics. The focus will be on nanocrystalline austenitic Fe-Cr-Ni alloys with an fcc crystal structure. The long-term goal is to design and develop bulk nanostructured austenitic steels with enhanced void swelling resistance and substantial ductility, and to enhance their creep resistance at elevated temperatures via GB engineering. The combination of grain refinement and grain boundary engineering approaches allows us to tailor the material strength, ductility, and resistance to swelling by 1) changing the sink strength for point defects, 2) by increasing the nucleation barriers for bubble formation at GBs, and 3) by changing the precipitate distributions at boundaries. Compared to ferritic/martensitic steels, austenitic stainless steels (SS) possess good creep and fatigue resistance at elevated temperatures, and better toughness at low temperature. However, a major disadvantage of austenitic SS is that they are vulnerable to significant void swelling in nuclear reactors, especially at the temperatures and doses anticipated in the Advanced Burner Reactor. The lack of resistance to void swelling in austenitic alloys led to the switch to ferritic/martensitic steels as the preferred material for the fast reactor cladding application. Recently a type of austenitic stainless steel, HT-UPS, was developed at ORNL, and is expected to show enhanced void swelling resistance through the trapping of point defects at nanometersized carbides. Reducing the grain size and increasing the fraction of low energy grain boundaries should reduce the available radiation-produced point defects (due to the increased sink area of the grain boundaries), should make bubble nucleation at the boundaries less likely (by reducing the fraction of high-energy boundaries), and improve the strength and ductility under radiation by producing a higher

  18. Nonlinear compression of an ultrashort-pulse thulium-based fiber laser to sub-70  fs in Kagome photonic crystal fiber.

    PubMed

    Gebhardt, M; Gaida, C; Hädrich, S; Stutzki, F; Jauregui, C; Limpert, J; Tünnermann, A

    2015-06-15

    Nonlinear pulse compression of ultrashort pulses is an established method for reducing the pulse duration and increasing the pulse peak power beyond the intrinsic limits of a given laser architecture. In this proof-of-principle experiment, we demonstrate nonlinear compression of the pulses emitted by a high-repetition-rate thulium-based fiber CPA system. The initial pulse duration of about 400 fs has been shortened to <70  fs with 19.7 μJ of pulse energy, which corresponds to about 200 MW of pulse peak power.

  19. Fcc-bcc transition for Yukawa interactions determined by applied strain deformation.

    PubMed

    Hoy, Robert S; Robbins, Mark O

    2004-05-01

    Calculations of the work required to transform between bcc and fcc phases yield a high-precision bcc-fcc transition line for monodisperse point Yukawa (screened-Coulomb) systems. Our results agree qualitatively but not quantitatively with recently published simulations and phenomenological criteria for the bcc-fcc transition. In particular, the bcc-fcc-fluid triple point lies at a higher inverse screening length than previously reported.

  20. Microstructural Characterization of Dislocation Networks During Harper-Dorn Creep of fcc, bcc, and hcp Metals and Alloys

    SciTech Connect

    Przystupa, Marek A.

    2007-12-13

    temperatures, (2) time invariant and (3) identical to the distributions obtained previously for Harper-Dorn creep. This has never been shown before and confirms our theoretical expectations that evolution of the dislocation networks during annealing and H-D creep is governed by the same growth law. Obtained results were also used to predict H-D steady creep rates from annealing kinetics data using equations of the dislocation network theory. For the three considered stresses the theory predicts systematically smaller creep rates by the average factor of 4.5. Considering that the creep rates have been predicted from the annealing data alone and without any adjustable parameters, this results shout be considered as outstanding. In case of hcp zinc the samples were pre-deformed in compression at constant stress of 4 MPa at temperature of 573 K and subsequently annealed at the same temperature. During annealing samples readily recrystallized, but it was possible to obtain information on the link length distributions from several unrecrystallized grains. The results showed that the scaled link length distributions were time invariant and similar to those of the aluminum. The annealing studies on bcc tin were also curtailed by the concurrent recrystallization. It was only possible to obtain link length distribution for samples deformed in compression at constant load of 2 MPa at 423 K after unloading. The link length distribution was also in this case similar to that of the aluminum and zinc. These results suggest that the scaled link length distribution is universal and the same for the three considered crystal structures. This supports theoretical findings of these studies that appropriately scaled dislocation link length distribution should both universal and time invariant. We have also investigated the possibility of using alternative methods of estimating local dislocation densities from etch pits which could give more precise estimates of the dislocation link-lengths. The two

  1. 47 CFR 97.27 - FCC modification of station license grant.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false FCC modification of station license grant. 97... RADIO SERVICES AMATEUR RADIO SERVICE General Provisions § 97.27 FCC modification of station license grant. (a) The FCC may modify a station license grant, either for a limited time or for the duration...

  2. Congress, the FCC and Children's Television Regulation: A Shift in the Balance of Power.

    ERIC Educational Resources Information Center

    Markin, Karen

    The Federal Communications Commission (FCC) of the late 1980s appeared to pursue its own agenda of broadcast deregulation, notwithstanding congressional pressures. The apparent power shift is evident in a case study of the interactions between Congress and the FCC on the subject of children's television. In the early 1970s, the FCC tended to…

  3. 76 FR 12308 - Modernizing the FCC Form 477 Data Program; Correction

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-03-07

    ... COMMISSION 47 CFR Parts 1, 20, and 43 Modernizing the FCC Form 477 Data Program; Correction AGENCY: Federal... FCC Form 477. Inadvertently the Comment Filing Procedures section of the February 28, 2011 publication... February 28, 2011 (76 FR 10827) relating to the modernization of the FCC Form 477. The document (FR...

  4. 47 CFR 73.1226 - Availability to FCC of station logs and records.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 4 2010-10-01 2010-10-01 false Availability to FCC of station logs and records... Availability to FCC of station logs and records. The following shall be made available to any authorized representative of the FCC upon request: (a) Station records and logs shall be made available for inspection...

  5. 47 CFR 73.1226 - Availability to FCC of station logs and records.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 4 2013-10-01 2013-10-01 false Availability to FCC of station logs and records... Availability to FCC of station logs and records. The following shall be made available to any authorized representative of the FCC upon request: (a) Station records and logs shall be made available for inspection...

  6. 47 CFR 73.1226 - Availability to FCC of station logs and records.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 4 2011-10-01 2011-10-01 false Availability to FCC of station logs and records... Availability to FCC of station logs and records. The following shall be made available to any authorized representative of the FCC upon request: (a) Station records and logs shall be made available for inspection...

  7. 47 CFR 73.1226 - Availability to FCC of station logs and records.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 4 2012-10-01 2012-10-01 false Availability to FCC of station logs and records... Availability to FCC of station logs and records. The following shall be made available to any authorized representative of the FCC upon request: (a) Station records and logs shall be made available for inspection...

  8. 47 CFR 73.1226 - Availability to FCC of station logs and records.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 4 2014-10-01 2014-10-01 false Availability to FCC of station logs and records... Availability to FCC of station logs and records. The following shall be made available to any authorized representative of the FCC upon request: (a) Station records and logs shall be made available for inspection...

  9. Fixture for multiple-FCC chemical stripping and plating

    NASA Technical Reports Server (NTRS)

    Angele, W.; Norton, W. E.

    1971-01-01

    For chemical stripping, lead tape applied near ends to be stripped protects insulation. Taped ends are submerged half way in stripping solution. For electroplating, both ends of FCC are stripped - top ends for electric contact, others for submersion in electroplating solution.

  10. Folding tool for preparing FCC molded-plug terminations

    NASA Technical Reports Server (NTRS)

    Campbell, E. C.; Chambers, C. M.

    1971-01-01

    Assemblies consist of window piece, conductor spacer, insulator, outer seal, and molded portion that integrates all components. Preparation of FCC for molded plug termination requires that terminated ends of conductors in each cable be accurately folded simultaneously into spacer end and groove.

  11. Spectroscopic insight for tablet compression.

    PubMed

    Lakio, S; Ylinärä, H; Antikainen, O; Räikkönen, H; Yliruusi, J

    2015-02-01

    Tablet compression process has been studied over the years from various perspectives. However what exactly happens to material during compression is still unknown. In this study a novel compression die which enables real-time spectroscopic measurements during the compression of material is represented. Both near infrared and Raman spectroscope probes can be attached to the die. In this study the usage of the die is demonstrated by using Raman spectroscopy. Eicosane, d-glucose anhydrate, α-lactose monohydrate and xylitol were used in the study because their compression behavior and bonding properties during compression were assumed to be different. The intensity of the Raman signal changed during compression with all of the materials. However, the intensity changes were different within the materials. The biggest differences were within the xylitol spectra. It was noticed that some peaks disappeared with higher compression pressures indicating that the pressure affected variously on different bonds in xylitol structure. These reversible changes were supposed to relate the changes in conformation and crystal structure. As a conclusion, the die was found to be a significant addition for studying compression process in real-time. It can help to reveal Process induced transformations (PITs) occurring during powder compaction.

  12. Indium-defect interactions in FCC and BCC metals studied using the modified embedded atom method

    NASA Astrophysics Data System (ADS)

    Zacate, M. O.

    2016-12-01

    With the aim of developing a transferable potential set capable of predicting defect formation, defect association, and diffusion properties in a wide range of intermetallic compounds, the present study was undertaken to test parameterization strategies for determining empirical pair-wise interaction parameters in the modified embedded atom method (MEAM) developed by Baskes and coworkers. This report focuses on indium-solute and indium-vacancy interactions in FCC and BCC metals, for which a large set of experimental data obtained from perturbed angular correlation measurements is available for comparison. Simulation results were found to be in good agreement with experimental values after model parameters had been adjusted to reproduce as best as possible the following two sets of quantities: (1) lattice parameters, formation enthalpies, and bulk moduli of hypothetical equiatomic compounds with the NaCl crystal structure determined using density functional theory and (2) dilute solution enthalpies in metals as predicted by Miedema's semi-empirical model.

  13. 77 FR 74010 - Proposed Changes to FCC Form 499-A, FCC Form 499-Q, and Accompanying Instructions

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-12-12

    ... System (ECFS) or by filing paper copies, by any of the following methods: Electronic Filers: Comments may....162. 6. Charges Allowed by USF/ICC Transformation Order. In the USF/ICC Transformation Order (26 FCC... 405. Similarly, the USF/ICC Transformation Order allows per- minute charges for originating...

  14. 78 FR 66357 - Proposed Changes to FCC Form 499-A, FCC Form 499-Q, and Accompanying Instructions

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-11-05

    ... methods: Electronic Filers: Comments may be filed electronically using the Internet by accessing the ECFS...: Comments may be filed electronically using the Internet by accessing the ECFS: http://apps.fcc.gov/ecfs..., Washington, DC 20554, telephone (800) 378-3160 or (202) 863-2893, facsimile (202) 863-2898, or via...

  15. The crystal structure of iron at the inner core

    NASA Astrophysics Data System (ADS)

    Tateno, S.; Hirose, K.; Ohishi, Y.; Tatsumi, Y.

    2010-12-01

    The Earth’s solid inner core is mainly composed of iron. Thus the crystal structure of iron is of prime importance for understanding the nature of solid inner core. Despite many efforts to investigate phase relations of iron have by dynamic and static compression, and theoretical calculation, consensus on the stable phase at the inner core condition has never been achieved. While hcp-Fe can persist to core pressures at 300 K, a phase transition at elevated temperature is a possibility. Both theory and experiments proposed different forms of iron at simultaneously high P-T conditions, which include bcc, face-centered-cubic (fcc), and hcp structures. The structure of iron has never been examined experimentally at the inner core P-T conditions (>330 GPa and ≥5000 K), because such extreme conditions could only be achieved by shock-wave compression experiments. Based on static compression experiments in a laser-heated diamond-anvil cell (DAC), we determined the structure of iron up to 377 GPa and 5700 K. Iron powder and thermal insulation layers of SiO2 glass were loaded into a hole of a pre-indented rhenium gasket placed in the For experiments beyond 300 GPa, the double-beveled diamond anvils with 40-μm culets were used, and accordingly the sample size was limited to about 20 μm. Heating was performed from both sides of the sample by employing two single mode, Yb fiber lasers with output power up to 100 W each with flat-top beam shaping optics to minimize temperature gradient across the sample. Angle-dispersive x-ray diffraction measurements were conducted at BL10XU of SPring-8. Six separate sets of experiments were conducted in a wide P-T range from 135 GPa and 2690 K to 377 GPa and 5700 K. We observed crystal growth and hence the stability of hcp-Fe at these P-T conditions with no evidence for a phase transition to bcc nor fcc iron phases. The c/a axial ratio of hcp-Fe at high temperature was also studied, which has significant effect on the nature of the

  16. Polymorphic crystals selected in the nucleation stage

    NASA Astrophysics Data System (ADS)

    Zhang, Hui-Jun; Peng, Shu-Ming; Zhou, Xiao-Song; Ju, Xin

    2014-08-01

    Molecular dynamics simulations are used to explore the atomic mechanism of formation of polymorphic crystals. Cooling the Lennard-Jones systems, we observe that the system almost always evolves into a polymorphic crystal with either fivefold-symmetric stacking faults or single-direction stacking faults. The detailed analysis reveals that such an evolution depends on the configuration of fcc/hcp concomitance in the nucleation stage. A defect-induced model is then introduced to illustrate these two evolution routes. Through calculating the formation energies of the defective critical nuclei, we find that the polymorphic crystals seem to be determined by their critical nuclei, in which the relatively lower formation energy ensures the preponderance of the fivefold-symmetric cluster. Before the nucleation, we observe that thermal fluctuations prefer hcp-like particles over fcc-like ones while in the nucleation and growth stage this preference reverses. Notably, an extended step rule of Ostwald is seemingly suitable to characterise the growth process because of the temporary hcp layers appearing among fcc layers in the growth stage. Although the crystalline cluster with single-direction stacking faults has higher growth rate and structural order than its competitor, the component (fcc and hcp) proportion of the final crystals is almost always constant regardless of the polymorphic type. Our finding renews the understanding of the polymorphism of crystals, and possibly draws more attention of people intending to control the polymorphic structures through nucleation.

  17. Post-riser quench improves FCC yields, profitability

    SciTech Connect

    Quinn, G.P.; Silverman, M.A.

    1996-01-15

    Performance tests of a post-riser quench system have shown increases in gasoline yield; reductions in fuel gas, butadienes, and pentadienes; and improved oxidation stability of FCC gasoline. Following commercial trials in six of Amoco Petroleum Products` refineries for some 10 years, the system is now being installed by other refiners. Elimination of post-riser thermal cracking is essential to achieving the most desirable product slate. Most of Amoco`s FCC units (FCCUs) have rough-cut cyclone systems in which there is significant vapor residence time in the disengaging vessel. To overcome this problem Amoco chose to reduce the temperature in the dilute phase. This technology involves quenching the dilute phase, thereby reducing the thermal cracking rates. The approach is very effective and virtually eliminates post-riser cracking. This paper reviews this design.

  18. Attrition Resistant Fischer-Tropsch Catalysts Based on FCC Supports

    SciTech Connect

    Adeyiga, Adeyinka

    2010-02-05

    Commercial spent fluid catalytic cracking (FCC) catalysts provided by Engelhard and Albemarle were used as supports for Fe-based catalysts with the goal of improving the attrition resistance of typical F-T catalysts. Catalysts with the Ruhrchemie composition (100 Fe/5 Cu/4.2 K/25 spent FCC on mass basis) were prepared by wet impregnation. XRD and XANES analysis showed the presence of Fe{sub 2}O{sub 3} in calcined catalysts. FeC{sub x} and Fe{sub 3}O{sub 4} were present in the activated catalysts. The metal composition of the catalysts was analyzed by ICP-MS. F-T activity of the catalysts activated in situ in CO at the same conditions as used prior to the attrition tests was measured using a fixed bed reactor at T = 573 K, P = 1.38 MPa and H{sub 2}:CO ratio of 0.67. Cu and K promoted Fe supported over Engelhard provided spent FCC catalyst shows relatively good attrition resistance (8.2 wt% fines lost), high CO conversion (81%) and C{sub 5}+ hydrocarbons selectivity (18.3%).

  19. Magnetism in bcc and fcc Fe with carbon and manganese.

    PubMed

    Medvedeva, N I; Van Aken, D; Medvedeva, J E

    2010-08-11

    Density functional theory calculations were performed to study the structure and magnetic properties of bcc (α) and fcc (γ) Fe with 3 at.% carbon and manganese impurities. We find that all bcc-based Fe, Fe-C and Fe-Mn-C phases exhibit a ferromagnetic (FM) ground state, while the antiferromagnetic double-layer (AFMD) state is lowest in energy within the collinear spin approach in fcc Fe, Fe-C and Fe-Mn-C phases. However, the carbon and manganese impurities affect the local magnetic interactions significantly. The states with opposite manganese magnetic moments are quasi-degenerate in bcc Fe-Mn alloy, whereas octa-site carbon stabilizes ferromagnetic coupling of the nearest manganese atom with the Fe host. We demonstrate that the antiferromagnetic (AFM) fcc Fe-C and Fe-Mn-C alloys are intrinsically inhomogeneous magnetic systems. Carbon frustrates the local magnetic order by reorientation of magnetic moments of the nearest Mn and Fe atoms, and favors their ferromagnetic coupling. The competition between ferromagnetic and antiferromagnetic Fe-Fe and Fe-Mn interactions and the local magnetovolume instability near carbon may give rise to the spin-glass-like regions observed in austenitic Fe-Mn-C alloys.

  20. Shock compression and quasielastic release in tantalum

    SciTech Connect

    Johnson, J.N.; Hixson, R.S.; Tonks, D.L.; Gray, G.T. III

    1993-06-01

    Previous studies of quasielastic release in shock-loaded FCC metals have shown a strong influence of the defect state on the leading edge, or first observable arrival, of release wave, due to large density of pinned dislocation segments behind the shock front, their relatively large pinning separation, and a very short response time as determined by drag coefficient in shock-compressed state. This effect is entirely equivalent to problems associated with elastic moduli determination using ultrasonic methods. This is particularly true for FCC metals, which have an especially low Peierls stress, or inherent lattice resistance, that has little influence in pinning dislocation segments and inhibiting anelastic deformation. BCC metals, on the other hand, have a large Peierls stress that essentially holds dislocation segments in place at low net applied shear stresses and thus allows fully elastic deformation to occur in the complete absence of anelastic behavior. Shock-compression and release experiments have been performed on tantalum (BCC), with the observation that the leading release disturbance is indeed elastic. This conclusion is established by examination of experimental VISAR records taken at the tantalum/sapphire (window) interface in a symmetric-impact experiment which subjects the sample to a peak longitudinal stress of approximately 7.3 GPa, in comparison with characteristic code calculations.

  1. Interplay between crystallization and glass transition in binary Lennard-Jones mixtures

    NASA Astrophysics Data System (ADS)

    Banerjee, Atreyee; Chakrabarty, Suman; Bhattacharyya, Sarika Maitra

    2013-09-01

    In this work we explore the interplay between crystallization and glass transition in different binary mixtures by changing their inter-species interaction length and also the composition. We find that only those systems which form bcc crystal in the equimolar mixture and whose global structure for larger xA (xA = 0.6, where xA is the mole fraction of the bigger particles) is a mixed fcc + bcc phase, do not crystallize at this higher composition. However, the systems whose equimolar structure is a variant of fcc (NaCl type crystal) and whose global structure at larger xA is a mixed NaCl + fcc phase, crystallize easily to this mixed structure. We find that the stability against crystallization of this "bcc zone" is due to the frustration between the locally preferred structure (LPS) and the mixed bcc + fcc crystal. Our study suggests that when the global structure is a mixed crystal where a single species contributes to both the crystal forms and where the two crystal forms have large difference in some order parameter related to that species then this induces frustration between the LPS and the global structure. This frustration makes the systems good glass former. When xA is further increased (0.70 ⩽ xA < 0.90) the systems show a tendency towards mixed fcc crystal formation. However, the "bcc zone" even for this higher composition is found to be sitting at the bottom of a V shaped phase diagram formed by two different variants of the fcc crystal structure, leading to its stability against crystallization.

  2. Interplay between crystallization and glass transition in binary Lennard-Jones mixtures.

    PubMed

    Banerjee, Atreyee; Chakrabarty, Suman; Bhattacharyya, Sarika Maitra

    2013-09-14

    In this work we explore the interplay between crystallization and glass transition in different binary mixtures by changing their inter-species interaction length and also the composition. We find that only those systems which form bcc crystal in the equimolar mixture and whose global structure for larger x(A) (x(A) = 0.6, where x(A) is the mole fraction of the bigger particles) is a mixed fcc + bcc phase, do not crystallize at this higher composition. However, the systems whose equimolar structure is a variant of fcc (NaCl type crystal) and whose global structure at larger x(A) is a mixed NaCl + fcc phase, crystallize easily to this mixed structure. We find that the stability against crystallization of this "bcc zone" is due to the frustration between the locally preferred structure (LPS) and the mixed bcc + fcc crystal. Our study suggests that when the global structure is a mixed crystal where a single species contributes to both the crystal forms and where the two crystal forms have large difference in some order parameter related to that species then this induces frustration between the LPS and the global structure. This frustration makes the systems good glass former. When x(A) is further increased (0.70 ≤ x(A) < 0.90) the systems show a tendency towards mixed fcc crystal formation. However, the "bcc zone" even for this higher composition is found to be sitting at the bottom of a V shaped phase diagram formed by two different variants of the fcc crystal structure, leading to its stability against crystallization.

  3. Formation of bcc and fcc during the coalescence of free and supported Fe and Ni clusters.

    PubMed

    Li, Guojian; Wang, Qiang; Sui, Xudong; Wang, Kai; Wu, Chun; He, Jicheng

    2015-09-07

    The formation of bcc and fcc during the coalescence of free and supported Fe and Ni clusters has been studied by molecular dynamics simulation using an embedded atom method. Structural evolution of the clusters, coalesced under varying temperature, Ni content and substrate conditions, was explored by interatomic energy, snapshots, pair distribution functions and bond order parameters. The results show that the formation of bcc and fcc is strongly related to Ni content, substrate and coalescence temperature. Free clusters coalesced at 1200 K form bcc at lower Ni contents with fcc forming at higher Ni concentrations and no observable coexistence of bcc and fcc. Differences in coalescence at 1000 K result from the coexistence of bcc and fcc within the Ni range of 50-70%. Free clusters supported on disordered Ni substrates were shown to transform from spherical morphology to islands of supported clusters with preferred epitaxial orientation. The Ni content required to form bcc and fcc coexistence on supported clusters at 1000 K decreased to 30-50% Ni. Free clusters possessing bcc and fcc generally stacked along the bcc (110) and fcc (111) facets, whereas supported clusters stacked along the (111) bcc and (100) fcc planes. Structural transformation was induced by clusters containing greater numbers of atoms. Spread over the substrate enhanced interatomic energy, order substrates affect the epitaxial growth direction and increase the melting points of the supported clusters. This study can be used to predict the nature of fcc and bcc formation in Fe-Ni films.

  4. Compression stockings

    MedlinePlus

    ... knee bend. Compression Stockings Can Be Hard to Put on If it's hard for you to put on the stockings, try these tips: Apply lotion ... your legs, but let it dry before you put on the stockings. Use a little baby powder ...

  5. Phase transition from fcc to bcc structure of the Cu-clusters during nanocrystallization of Fe85.2Si1B9P4Cu0.8 soft magnetic alloy

    NASA Astrophysics Data System (ADS)

    Nishijima, Masahiko; Matsuura, Makoto; Takenaka, Kana; Takeuchi, Akira; Ofuchi, Hironori; Makino, Akihiro

    2014-05-01

    A role of Cu on the nanocrystallization of an Fe85.2Si1B9P4Cu0.8 alloy was investigated by X-ray absorption fine structure (XAFS) and transmission electron microscopy (TEM). The Cu K-edge XAFS results show that local structure around Cu is disordered for the as-quenched sample whereas it changes to fcc-like structure at 613 K. The fcc Cu-clusters are, however, thermodynamically unstable and begin to transform into bcc structure at 638 K. An explicit bcc structure is observed for the sample annealed at 693 K for 600 s in which TEM observation shows that precipitated bcc-Fe crystallites with ˜12 nm are homogeneously distributed. The bcc structure of the Cu-clusters transforms into the fcc-type again at 973 K, which can be explained by the TEM observations; Cu segregates at grain boundaries between bcc-Fe crystallites and Fe3(B,P) compounds. Combining the XAFS results with the TEM observations, the structure transition of the Cu-clusters from fcc to bcc is highly correlated with the preliminary precipitation of the bcc-Fe which takes place prior to the onset of the first crystallization temperature, Tx1 = 707 K. Thermodynamic analysis suggests that an interfacial energy density γ between an fcc-Cu cluster and bcc-Fe matrix dominates at a certain case over the structural energy between fcc and bcc Cu, ΔGfcc - bcc, which causes phase transition of the Cu clusters from fcc to bcc structure.

  6. Colloidal Crystal Growth Monitored By Bragg Diffraction Interference Fringes

    PubMed Central

    Bohn, Justin J.; Tikhonov, Alexander; Asher, Sanford A.

    2010-01-01

    We monitor the crystal growth kinetics of crystallization of a shear melted crystalline colloidal array (CCA). The fcc CCA heterogeneously nucleates at the flow cell wall surface. We examined the evolution of the (111) Bragg diffraction peak, and, for the first time, quantitatively monitored growth by measuring the temporal evolution of the Bragg diffraction interference fringes. Modeling of the evolution of the fringe patterns exposes the time dependence of the increasing crystal thickness. The initial diffusion driven linear growth is followed by ripening-driven growth. Between 80 to 90 μM NaCl concentrations the fcc crystals first linearly grow at rates between 1.9 and 4.2 μm/sec until they contact homogeneously nucleated crystals in the bulk. At lower salt concentrations interference fringes are not visible because the strong electrostatic interactions between particles result in high activation barriers, preventing defect annealing and leading to a lower crystal quality. The fcc crystals melt to a liquid phase at >90 μM NaCl concentrations. Increasing NaCl concentrations slows the fcc CCA growth rate consistent with the expectation of the classical Wilson-Frenkel growth theory. The final thickness of wall nucleated CCA is determined by the competition between growth of heterogeneously and homogenously nucleated CCA and increases with higher NaCl concentrations. PMID:20542277

  7. Atomic force imaging of the surface of a FCC after thermal and hydrothermal treatments

    SciTech Connect

    Occelli, M.L.; Gould, S.A.G.; Baldiraghi, F.; Leoncini, S.

    1996-10-01

    An atomic force microscope (AFM) operating in a contact mode was used to observe surface variations in FCC resulting from aging. AFM images of a commercial FCC sample before and after steam-aging have been compared with those of the same FCC after use in a major refinery. Large scale (5 {mu}m x 5 {mu}m) images reveal that the FCC surface is formed by platelets and platelet aggregates and that the catalyst microporosity result mainly from elongated and narrow spacings between these plates. Steam-aging does not seem to greatly change the FCC surface architecture. However, in the corresponding equilibrium catalyst (containing several metals impurities) the FCC surface roughness decreases. Atomic scale images were obtained for all the samples examined. The hexagonal symmetry observed in these images is consistent with the structure of the silicate layer in Kaolin, a major component of these types of catalysts.

  8. A general kinetic-flow coupling model for FCC riser flow simulation.

    SciTech Connect

    Chang, S. L.

    1998-05-18

    A computational fluid dynamic (CFD) code has been developed for fluid catalytic cracking (FCC) riser flow simulation. Depending on the application of interest, a specific kinetic model is needed for the FCC flow simulation. This paper describes a method to determine a kinetic model based on limited pilot-scale test data. The kinetic model can then be used with the CFD code as a tool to investigate optimum operating condition ranges for a specific FCC unit.

  9. Preparation and characterization of Co epitaxial thin films on Al2O3(0001) single-crystal substrates

    NASA Astrophysics Data System (ADS)

    Yabuhara, Osamu; Ohtake, Mitsuru; Nukaga, Yuri; Futamoto, Masaaki

    2011-01-01

    Co epitaxial thin films were prepared on Al2O3(0001) single-crystal substrates in a substrate temperature range between 50 and 500 °C by ultra high vacuum molecular beam epitaxy. Effects of substrate temperature on the structure and the magnetic properties of the films were investigated. The films grown at temperatures lower than 150 °C consist of fcc- Co(111) crystal. With increasing the substrate temperature, hcp-Co(0001) crystal coexists with the fcc crystal and the volume ratio of hcp to fcc crystal increases. The films prepared at temperatures higher than 250 °C consist primarily of hcp crystal. The film growth seems to follow island-growth mode. The films consisting primarily of hcp crystal show perpendicular magnetic anisotropy. The domain structure and the magnetization properties are influenced by the magnetocrystalline anisotropy and the shape anisotropy caused by the film surface roughness.

  10. 47 CFR 11.21 - State and Local Area plans and FCC Mapbook.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... must be followed by EAS Participants' personnel, emergency officials, and National Weather Service (NWS... are consistent with national plans, FCC regulations, and EAS operation. (a) The State EAS...

  11. 47 CFR 11.21 - State and Local Area plans and FCC Mapbook.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... must be followed by EAS Participants' personnel, emergency officials, and National Weather Service (NWS... are consistent with national plans, FCC regulations, and EAS operation. (a) The State EAS...

  12. 47 CFR 11.21 - State and Local Area plans and FCC Mapbook.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... must be followed by EAS Participants' personnel, emergency officials, and National Weather Service (NWS... are consistent with national plans, FCC regulations, and EAS operation. (a) The State EAS...

  13. Combined influences of micro-pillar geometry and substrate constraint on microplastic behavior of compressed single-crystal micro-pillar: Two-dimensional discrete dislocation dynamics modeling

    NASA Astrophysics Data System (ADS)

    Ouyanga, Chaojun; Lia, Zhenhuan; Huanga, Minsheng; Hua, Lili; Houa, Chuantao

    2009-11-01

    2D discrete dislocation dynamic modeling of compressed micro-pillars attached on a huge base is executed to study the size-dependent microplastic behavior of micro-pillars and the corresponding size effect. In addition to the conventional dimensional parameters of the micro-pillar such as the micro-pillar size and the height-to-width ratio, the micro-pillar taper angle and the dislocation slip plane orientation angle in the micro-pillar are also considered to address the size effect and its rich underlying mechanism. Computational results show that there are at least two operating mechanisms responsible for the plastic behavior of micro-pillars. One is associated with the dislocation free slip-out from the micro-pillar sidewall; the other is related to the dislocation pile-up at the base and the top end of the pillar. The overall mechanism governing the size effect of the micro-pillar rests with multi-factors, including the micro-pillar size, the height-to-width ratio, the micro-pillar taper and the slip plane orientation angle; however, whether the "free slip band" exists or not is the most important denotation. The well-known Schmid law still validates in the slender micro-pillars due to existence of the free slip band, whereas it may fail in the podgier micro-pillars due to absence of the free slip band; as a result, a complicated even "reverse" size effect appears.

  14. Numerical study of the process of plastic deformation localization by an example of high-speed compression of a hollow single crystal cylinder

    NASA Astrophysics Data System (ADS)

    Dmitriev, A. I.; Nikonov, A. Yu.; Bondar', M. P.

    2016-11-01

    The effect of the crystallographic orientation of a single crystal hollow cylinder on features of creation and evolution of plastic deformation in it under conditions of high-speed axisymmetric load is studied. An advantage of the proposed loading scheme is the simultaneous implementation of all loading variants within the chosen crystallographic base plane of the cylinder and reaching different degrees of deformation over the cross section of the sample. Using the molecular-dynamic modeling, the difference in deformation properties of the loaded sample has been shown depending on the chosen crystallographic orientation of the base plane. Results of the investigation can be used to understand the main mechanisms of the plastic deformation of crystalline bodies.

  15. Deformation twinning mechanisms in FCC and HCP metals

    SciTech Connect

    Wang, Jian; Tome, Carlos N; Beyerlein, Irene J; Misra, Amit; Mara, N

    2011-01-31

    We report the recent work on twinning and detwinning in fcc and hcp metals based on the in situ and ex situ TEM observations and molecular dynamics simulations. Three aspects are discussed in this paper. (1) Detwinning in single-phase Cu with respect to growth twins, (2) deformation twinning in Ag-Cu composites, and (3) deformation twinning mechanisms in hcp metals. The main conclusion is that atomic structures of interfaces (twin boundaries, two-phases interface, and grain boundaries) play a crucial role in nucleating and propagating of deformation twins.

  16. Polarization Issues in the $e\\pm$ FCC

    SciTech Connect

    Gianfelice-Wendt, E.

    2015-08-10

    After the Higgs boson discovery at LHC, the international physics community is considering the next energy frontier circular collider (FCC). A pp collider of 100 km with a center of mass energy of about 100 TeV is believed to have the necessary discovery potential. The same tunnel could host first a e+e- collider with beam energy ranging between 45 and 175 GeV. In this paper preliminary considerations on the possibility of self-polarization for the e± beams are presented.

  17. Alkali cation specific adsorption onto fcc(111) transition metal electrodes.

    PubMed

    Mills, J N; McCrum, I T; Janik, M J

    2014-07-21

    The presence of alkali cations in electrolyte solutions is known to impact the rate of electrocatalytic reactions, though the mechanism of such impact is not conclusively determined. We use density functional theory (DFT) to examine the specific adsorption of alkali cations to fcc(111) electrode surfaces, as specific adsorption may block catalyst sites or otherwise impact surface catalytic chemistry. Solvation of the cation-metal surface structure was investigated using explicit water models. Computed equilibrium potentials for alkali cation adsorption suggest that alkali and alkaline earth cations will specifically adsorb onto Pt(111) and Pd(111) surfaces in the potential range of hydrogen oxidation and hydrogen evolution catalysis in alkaline solutions.

  18. Ultrasmall-angle X-ray scattering analysis of photonic crystal structure

    SciTech Connect

    Abramova, V. V.; Sinitskii, A. S.; Grigor'eva, N. A.; Grigor'ev, S. V.; Belov, D. V.; Petukhov, A. V.; Mistonov, A. A.; Vasil'eva, A. V.; Tret'yakov, Yu. D.

    2009-07-15

    The results of an ultrasmall-angle X-ray scattering study of iron(III) oxide inverse opal thin films are presented. The photonic crystals examined are shown to have fcc structure with amount of stacking faults varying among the samples. The method used in this study makes it possible to easily distinguish between samples with predominantly twinned fcc structure and nearly perfect fcc stacking. The difference observed between samples fabricated under identical conditions is attributed to random layer stacking in the self-assembled colloidal crystals used as templates for fabricating the inverse opals. The present method provides a versatile tool for analyzing photonic crystal structure in studies of inverse opals made of various materials, colloidal crystals, and three-dimensional photonic crystals of other types.

  19. Complexity and Fermi surface deformation in compressed lithium

    NASA Astrophysics Data System (ADS)

    Rodriguez-Prieto, A.; Bergara, A.; Silkin, V. M.; Echenique, P. M.

    2006-11-01

    Recently reported structural complexity and enhanced temperature superconducting transitions in lithium under pressure have increased the interest in light alkalies, otherwise considered as simple and well-known systems under normal conditions. Here we present an analysis of the pressure-induced Fermi surface deformation in lithium and its relation to the observed complexity. According to our calculations, the Fermi surface becomes increasingly anisotropic with pressure and at 8GPa contacts the Brillouin zone boundary inducing a Hume-Rothery mechanism explaining the bcc-fcc transition. Around 30GPa increasing cooper-like necks and an extended nesting are observed in the Fermi surface in the fcc phase, enhancing the electronic susceptibility response function and inducing a strong phonon softening. This softening, besides preluding the transition to complex structures and providing a better understanding of the observed superconductivity, is expected to induce other yet unexplored anomalies in compressed lithium.

  20. The effect of feedstock additives on FCC catalyst deactivation

    SciTech Connect

    Hughes, R.; Koon, C.L.; McGhee, B.

    1995-12-31

    Fluid catalytic cracking is a major petroleum refining process and because of this the deactivation of FCC catalysts by coke deposition has been the subject of considerable investigation during the past 50 years. Nevertheless, a lack of understanding of the fundamental understanding of processes leading to coke formation still exists. Basic studies using Zeolites have usually involved excessively high levels of coke deposits compared to normal FCC operation. The present study addresses coke formation at realistic levels of 0.5 to 1.0% w/w using a standard MAT reactor in which concentrations of 1% and 10% of various additives were added to the n-hexadecane feedstock. These additives included, quinoline, phenanthrene, benzofuran, thianaphthene and indene. The coke formed was characterised by mass spectrometry and was significantly aliphatic in nature, the amount formed increasing in the order quinoline, phenanthrene, thianaphthene, benzofuran, indene. Quinoline acts primarily as a poison, whereas the other additives tend to promote coke formation in n-hexadecane cracking.

  1. Compressed convolution

    NASA Astrophysics Data System (ADS)

    Elsner, Franz; Wandelt, Benjamin D.

    2014-01-01

    We introduce the concept of compressed convolution, a technique to convolve a given data set with a large number of non-orthogonal kernels. In typical applications our technique drastically reduces the effective number of computations. The new method is applicable to convolutions with symmetric and asymmetric kernels and can be easily controlled for an optimal trade-off between speed and accuracy. It is based on linear compression of the collection of kernels into a small number of coefficients in an optimal eigenbasis. The final result can then be decompressed in constant time for each desired convolved output. The method is fully general and suitable for a wide variety of problems. We give explicit examples in the context of simulation challenges for upcoming multi-kilo-detector cosmic microwave background (CMB) missions. For a CMB experiment with detectors with similar beam properties, we demonstrate that the algorithm can decrease the costs of beam convolution by two to three orders of magnitude with negligible loss of accuracy. Likewise, it has the potential to allow the reduction of disk space required to store signal simulations by a similar amount. Applications in other areas of astrophysics and beyond are optimal searches for a large number of templates in noisy data, e.g. from a parametrized family of gravitational wave templates; or calculating convolutions with highly overcomplete wavelet dictionaries, e.g. in methods designed to uncover sparse signal representations.

  2. Lattice dynamics of wurtzite and rocksalt AlN under high pressure: Effect of compression on the crystal anisotropy of wurtzite-type semiconductors

    NASA Astrophysics Data System (ADS)

    Manjón, Francisco Javier; Errandonea, Daniel; Romero, Aldo Humberto; Garro, Núria; Serrano, Jorge; Kuball, Martin

    2008-05-01

    Raman spectra of aluminum nitride (AlN) under pressure have been measured up to 25GPa , i.e., beyond the onset of the wurtzite-to-rocksalt phase transition around 20GPa . The experimental pressure coefficients for all the Raman-active modes of the wurtzite phase are reported and compared to those obtained from ab initio lattice dynamical calculations, as well as to previous experimental and theoretical results. The pressure coefficients of all the Raman-active modes in wurtzite-type semiconductors (AlN, GaN, InN, ZnO, and BeO), as well as the relatively low bulk modulus and phase transition pressure in wurtzite AlN, are discussed in the light of the pressure dependence of the structural crystal anisotropy in wurtzite semiconductors. On pressure release, AlN partially returns to the wurtzite phase below 1.3GPa but the presence of a rocksalt phase in AlN was observed at pressures as low as 1.3GPa , as evidenced by comparing the experimental Raman spectra to calculated one- and two-phonon densities of states of the rocksalt phase.

  3. 47 CFR Appendix A to Subpart A of... - Locations Where GMRS Is Regulated by the FCC

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 5 2012-10-01 2012-10-01 false Locations Where GMRS Is Regulated by the FCC A Appendix A to Subpart A of Part 95 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY.... A, App. A Appendix A to Subpart A of Part 95—Locations Where GMRS Is Regulated by the FCC In...

  4. 47 CFR Appendix A to Subpart A of... - Locations Where GMRS Is Regulated by the FCC

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 5 2014-10-01 2014-10-01 false Locations Where GMRS Is Regulated by the FCC A Appendix A to Subpart A of Part 95 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY.... A, App. A Appendix A to Subpart A of Part 95—Locations Where GMRS Is Regulated by the FCC In...

  5. 47 CFR Appendix A to Subpart A of... - Locations Where GMRS Is Regulated by the FCC

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Locations Where GMRS Is Regulated by the FCC A Appendix A to Subpart A of Part 95 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY.... A, App. A Appendix A to Subpart A of Part 95—Locations Where GMRS Is Regulated by the FCC In...

  6. 47 CFR Appendix A to Subpart A of... - Locations Where GMRS Is Regulated by the FCC

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 5 2013-10-01 2013-10-01 false Locations Where GMRS Is Regulated by the FCC A Appendix A to Subpart A of Part 95 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY.... A, App. A Appendix A to Subpart A of Part 95—Locations Where GMRS Is Regulated by the FCC In...

  7. 47 CFR Appendix A to Subpart A of... - Locations Where GMRS Is Regulated by the FCC

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 5 2011-10-01 2011-10-01 false Locations Where GMRS Is Regulated by the FCC A Appendix A to Subpart A of Part 95 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY.... A, App. A Appendix A to Subpart A of Part 95—Locations Where GMRS Is Regulated by the FCC In...

  8. 47 CFR 97.27 - FCC modification of station license grant.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 5 2013-10-01 2013-10-01 false FCC modification of station license grant. 97.27 Section 97.27 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES AMATEUR RADIO SERVICE General Provisions § 97.27 FCC modification of station...

  9. 47 CFR 97.27 - FCC modification of station license grant.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 5 2012-10-01 2012-10-01 false FCC modification of station license grant. 97.27 Section 97.27 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES AMATEUR RADIO SERVICE General Provisions § 97.27 FCC modification of station...

  10. 47 CFR 97.27 - FCC modification of station license grant.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 5 2014-10-01 2014-10-01 false FCC modification of station license grant. 97.27 Section 97.27 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES AMATEUR RADIO SERVICE General Provisions § 97.27 FCC modification of station...

  11. 47 CFR 97.27 - FCC modification of station license grant.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 5 2011-10-01 2011-10-01 false FCC modification of station license grant. 97.27 Section 97.27 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES AMATEUR RADIO SERVICE General Provisions § 97.27 FCC modification of station...

  12. 76 FR 69738 - Revised 2011 Annual Telecommunications Reporting Worksheet (FCC Form 499-A) and Accompanying...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-11-09

    ... COMMISSION Revised 2011 Annual Telecommunications Reporting Worksheet (FCC Form 499-A) and Accompanying... Competition Bureau released the revised Telecommunications Reporting Worksheet (FCC Form 499-A) and... Competition Bureau, Telecommunications Access Policy Division, at (202) 418-7400 or via the Internet...

  13. 47 CFR 0.409 - Commission policy on private printing of FCC forms.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... forms. 0.409 Section 0.409 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL COMMISSION ORGANIZATION General Information General § 0.409 Commission policy on private printing of FCC forms. The Commission has established a policy regarding the printing of blank FCC forms by private companies if...

  14. 47 CFR 95.422 - (CB Rule 22) How do I answer correspondence from the FCC?

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 5 2012-10-01 2012-10-01 false (CB Rule 22) How do I answer correspondence from the FCC? 95.422 Section 95.422 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED... You Need to Know § 95.422 (CB Rule 22) How do I answer correspondence from the FCC? (a) If it...

  15. 47 CFR 95.422 - (CB Rule 22) How do I answer correspondence from the FCC?

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 5 2014-10-01 2014-10-01 false (CB Rule 22) How do I answer correspondence from the FCC? 95.422 Section 95.422 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED... You Need to Know § 95.422 (CB Rule 22) How do I answer correspondence from the FCC? (a) If it...

  16. 47 CFR 95.422 - (CB Rule 22) How do I answer correspondence from the FCC?

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 5 2013-10-01 2013-10-01 false (CB Rule 22) How do I answer correspondence from the FCC? 95.422 Section 95.422 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED... You Need to Know § 95.422 (CB Rule 22) How do I answer correspondence from the FCC? (a) If it...

  17. 47 CFR 95.422 - (CB Rule 22) How do I answer correspondence from the FCC?

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false (CB Rule 22) How do I answer correspondence from the FCC? 95.422 Section 95.422 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED... You Need to Know § 95.422 (CB Rule 22) How do I answer correspondence from the FCC? (a) If it...

  18. 47 CFR 95.422 - (CB Rule 22) How do I answer correspondence from the FCC?

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 5 2011-10-01 2011-10-01 false (CB Rule 22) How do I answer correspondence from the FCC? 95.422 Section 95.422 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED... You Need to Know § 95.422 (CB Rule 22) How do I answer correspondence from the FCC? (a) If it...

  19. 47 CFR 64.1110 - State notification of election to administer FCC rules.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 3 2010-10-01 2010-10-01 false State notification of election to administer FCC rules. 64.1110 Section 64.1110 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED... Telecommunications Service Providers § 64.1110 State notification of election to administer FCC rules. (a)...

  20. On Campus Web-Monitoring Rules, Colleges and the FCC Have a Bad Connection

    ERIC Educational Resources Information Center

    Hartle, Terry W.

    2006-01-01

    A regulation issued by the US Federal Communications Commission (FCC) requires facilities-based Internet services providers who operate their own equipment, including colleges, to make their Internet systems compliant with a statute known as the Communications Assistance for Law Enforcement Act (Calea) by April 2007. However, the FCC does not…

  1. Inequities in Mass Communication Law: The FCC's Application of the Duopoly Rule to Public Broadcasting.

    ERIC Educational Resources Information Center

    Avery, Robert K.

    A three-part petition was filed in December 1974 with the Federal Communications Commission (FCC) which presented the first serious threat to public broadcasters' exemption from the FCC's multiple-ownership rules. The petition requested a revision of the rules that permit multiple ownership of noncommercial educational stations within a single…

  2. The Impact of Public Affairs Programming Regulation: A Study of the FCC's Effectiveness.

    ERIC Educational Resources Information Center

    Chamberlin, Bill F.

    1979-01-01

    Explores the effectiveness of the Federal Communications Commission (FCC) public affairs program regulation through analysis of annual reports for 75 television stations, examining amount of time for public issues programing, amount of local affairs programing, total prime time programing, and whether FCC standards are met. (CWM)

  3. Diversity of Voice? The FCC's Bright-Line "Anti-Monopoly" Rule.

    ERIC Educational Resources Information Center

    Haddock, David D.; Polsby, Daniel D.

    The Federal Communications Commission (FCC) has long had rules that prohibit anyone from owning more than one television station in any given location. Two of the stated purposes behind the FCC's anti-monopoly rules are to foster diversity of programming for the sake of First Amendment interests, and to promote programming among media outlets in…

  4. 47 CFR 2.1076 - FCC inspection and submission of equipment for testing.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 1 2014-10-01 2014-10-01 false FCC inspection and submission of equipment for... ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization Procedures Declaration of Conformity § 2.1076 FCC inspection and submission of equipment for testing. (a)...

  5. The FCC, The Coverage Principle of the Fairness Doctrine and the First Amendment.

    ERIC Educational Resources Information Center

    Chamberlin, Bill F.

    This review of the history of the coverage principle developed by the Federal Communications Commission (FCC) concludes that government regulation of mass media program content can be dangerous and that the coverage principle needs to be abolished. The first section of the report discusses the FCC's interpretation of the 1934 Communications Act…

  6. Characteristics of Two-Dimensional Triangular and Three-Dimensional Face-Centered-Cubic Photonic Crystals

    DTIC Science & Technology

    2006-03-01

    on the x-y plane form a 0◦, −60◦ and 60◦ angle respectively, with the x axis. [3]. . . . . . . . . . 88 4.36. SEM images of FCC structure created in...structure (Figure 2.7) is an fcc structure with air cylinders in a dielectric. This crystal has a complete PBG around the 1.55-µm wavelength; when using...x axis. [3]. 88 Figure 4.36: SEM images of FCC structure created in SU-8 by Hy- brid Technologies using holographic process, (a), (b), (c), and (d

  7. Crystal structures and compressibility of novel iron borides Fe{sub 2}B{sub 7} and Fe{sub x}B{sub 50} synthesized at high pressure and high temperature

    SciTech Connect

    Bykova, E.; Gou, H.; Bykov, M.; Hanfland, M.; Dubrovinsky, L.; Dubrovinskaia, N.

    2015-10-15

    We present here a detailed description of the crystal structures of novel iron borides, Fe{sub 2}B{sub 7} and Fe{sub x}B{sub 50} with various iron content (x=1.01(1), 1.04(1), 1.32(1)), synthesized at high pressures and high temperatures. As revealed by high-pressure single-crystal X-ray diffraction, the structure of Fe{sub 2}B{sub 7} possesses short incompressible B–B bonds, which make it as stiff as diamond in one crystallographic direction. The volume compressibility of Fe{sub 2}B{sub 7} (the bulk modulus K{sub 0}= 259(1.8) GPa, K{sub 0}′= 4 (fixed)) is even lower than that of FeB{sub 4} and comparable with that of MnB{sub 4}, known for high bulk moduli among 3d metal borides. Fe{sub x}B{sub 50} adopts the structure of the tetragonal δ-B, in which Fe atoms occupy an interstitial position. Fe{sub x}B{sub 50} does not show considerable anisotropy in the elastic behavior. - Graphical abstract: Crystal structures of novel iron borides, Fe{sub 2}B{sub 7} and Fe{sub x}B{sub 50} (x=1.01(1), 1.04(1), 1.32(1)). - Highlights: • Novel iron borides, Fe{sub 2}B{sub 7} and Fe{sub x}B{sub 50}, were synthesized under HPHT conditions. • Fe{sub 2}B{sub 7} has a unique orthorhombic structure (space group Pbam). • Fe{sub 2}B{sub 7} possesses short incompressible B–B bonds that results in high bulk modulus. • Fe{sub x}B{sub 50} adopts the structure of the tetragonal δ-B composed of B{sub 12} icosahedra. • In Fe{sub x}B{sub 50} intraicosahedral bonds are stiffer than intericosahedral ones.

  8. Evolution of fcc Cu clusters and their structure changes in the soft magnetic Fe85.2Si1B9P4Cu0.8 (NANOMET) and FINEMET alloys observed by X-ray absorption fine structure

    NASA Astrophysics Data System (ADS)

    Matsuura, M.; Nishijima, M.; Takenaka, K.; Takeuchi, A.; Ofuchi, H.; Makino, A.

    2015-05-01

    It is known that Cu plays an essential role in reducing the grain size of precipitated bcc Fe(Si) nanocrystallites in a nanocrystalline soft-magnetic Fe85.2Si1B9P4Cu0.8 (NANOMET®) alloys like as an Fe73.5Si13.5B9Nb3Cu1 (FINEMET®). However, significant differences are there between two alloys; NANOMET has much higher iron content (˜85%) than FINEMET (73.5%) and the former contains P instead of Nb for the latter. In the present work, the local structure around Cu in FINEMET was measured by X-ray absorption fine structure (XAFS) at 20 K and compared with those of NANOMET during nanocrystallization. Definite differences between NANOMET and FINEMET are found in the way of the evolution of Cu clusters during nanocrystallization. In FINEMET, an fcc structure of Cu is recognized in an as-quenched ribbon indicating existence of a small number of Cu clusters or a very small size of Cu clusters which is stable up to 450 °C, while the fcc Cu clusters are developed rapidly above 450 °C. An fcc structure of the Cu clusters in FINEMET is retained all the way to the end of the nanocrystallization. On the contrary, for NANOMET the local structure around Cu changes in a sequence as "amorphous → fcc → bcc → fcc" by annealing. The reasons of such different behaviors of the local structure around Cu during nanocrystallization are discussed in terms of different contributions of Cu clusters in bcc Fe precipitation between FINEMET and NANOMET. A significantly fast crystallization process with an extraordinary large heat release can be another reason for the transition of the local structure around Cu from fcc to bcc for NANOMET.

  9. Grain Size Dependence of Uniform Elongation in Single-Phase FCC/BCC Metals

    NASA Astrophysics Data System (ADS)

    Liu, Haiting; Shen, Yao; Ma, Jiawei; Zheng, Pengfei; Zhang, Lei

    2016-09-01

    We studied the dependence of uniform elongation on grain size in the range of submicron to millimeter for single-phase FCC/BCC metals by reviewing recent experimental results and applying crystal plasticity finite element method simulation. In the order of increasing grain size, uniform elongation can be divided into three stages, namely low elongation stage, nearly constant elongation stage, and decreased elongation with large scatters stage. Low elongation stage features a dramatic increase near the critical grain size at the end of the stage, which is primarily attributed to the emergence of dislocation cell size transition from ultrafine to mid-size grain. Other factors can be neglected due to their negligible influence on overall variation trend. In nearly constant elongation stage, uniform elongation remains unchanged at a high level in general. As grain size keeps growing, uniform elongation starts decreasing and becomes scattered upon a certain grain size, indicating the initiation of decreased elongation with large scatters stage. It is shown that the increase is not linear or smooth but rather sharp at the end of low elongation stage, leading to a wider range in nearly constant elongation stage. The grain size dependence of uniform elongation can serve as a guiding principle for designing small uniaxial tensile specimens for mechanical testing, where size effect matters in most cases.

  10. Faceting and commensurability in crystal structures of colloidal thin films.

    PubMed

    Ramiro-Manzano, F; Meseguer, F; Bonet, E; Rodriguez, I

    2006-07-14

    This Letter investigates the influence of finite size effects on the particle arrangement of thin film colloidal crystals. A rich variety of crystallographic faceting with large single domain microcrystallites is shown. Optical reflectance experiments together with scanning electron microscopy permit the identification of the crystal symmetry and the facet orientation, as well as the exact number of monolayers. When the cell thickness is not commensurable with a high symmetry layering, particles arrange themselves in a periodic distribution of (111)- and (100)-orientated face centered cubic (fcc) microcrystallites separated by planar defects. These structures can be described as a fcc ordering orientated along a vicinal surface, modified by a periodic distribution of fcc (111) stacking faults.

  11. Diffusion and segregation of niobium in fcc-nickel.

    PubMed

    Connétable, Damien; Ter-Ovanessian, Benoît; Andrieu, Éric

    2012-03-07

    Niobium is one of the major alloying elements, among the refractory elements, contributing to the strengthening of superalloys. Consequently, data about its behavior and its migration mechanism in fcc-Ni are essential knowledge to understand and control the strengthening in such alloys. We present in this work Nb interactions, solubility and diffusion in Ni performed by using the GGA approximation of the density functional theory. The substituted site is found to be the most favorable configuration in comparison to the tetrahedral and octahedral sites. The effect of temperature on solubility is discussed taking into account the thermal expansion of the lattice parameter and the vibrational contribution. Its diffusion mechanism is also discussed and compared to the literature. We finally discuss the segregation of Nb atoms on a Σ(5)-(012) symmetric tilt grain boundary.

  12. Developing of a test procedure to evaluate FCC catalyst regenerability

    SciTech Connect

    Murthy, V.L.N.; Debnath, S.; Bao, M.R.

    1995-12-31

    FCC catalyst comprises various active ingredients e.g. Y Zeolites, ZSM-5 and other medium pore Zeolites, active, matrix etc. with wide variation in Zeolite/matrix ratio and pore size distribution. The effect of pore size distribution on the accessibility of the active sites is a subject for intensive research at present. The accessibility of these active sites has a major effect on the overall reaction and regeneration kinetics. Catalyst regenerability is a very important factor particularly for moderate and low temperature regenerators, since it directly effects the CRC (Coke on-Regenerated Catalyst) value. The regenerability of catalyst is critical to minimize the overall catalyst inventory. Unfortunately, till date, there is no suitable laboratory equipment available to test catalyst regenerability.

  13. Full tunability of strain along the fcc-bcc bain path in epitaxial films and consequences for magnetic properties.

    PubMed

    Buschbeck, J; Opahle, I; Richter, M; Rössler, U K; Klaer, P; Kallmayer, M; Elmers, H J; Jakob, G; Schultz, L; Fähler, S

    2009-11-20

    Strained coherent film growth is commonly either limited to ultrathin films or low strains. Here, we present an approach to achieve high strains in thicker films, by using materials with inherent structural instabilities. As an example, 50 nm thick epitaxial films of the Fe70Pd30 magnetic shape memory alloy are examined. Strained coherent growth on various substrates allows us to adjust the tetragonal distortion from c/a{bct}=1.09 to 1.39, covering most of the Bain transformation path from fcc to bcc crystal structure. Magnetometry and x-ray circular dichroism measurements show that the Curie temperature, orbital magnetic moment, and magnetocrystalline anisotropy change over broad ranges.

  14. Highly anisotropic exchange interactions of jeff=12 iridium moments on the fcc lattice in La2BIrO6 (B=Mg,Zn)

    DOE PAGES

    Aczel, A. A.; Cook, A. M.; Williams, T. J.; ...

    2016-06-20

    Here we have performed inelastic neutron scattering (INS) experiments to investigate the magnetic excitations in the weakly distorted face-centered-cubic (fcc) iridate double perovskites Lamore » $$_2$$ZnIrO$$_6$$ and La$$_2$$MgIrO$$_6$$, which are characterized by A-type antiferromagnetic ground states. The powder inelastic neutron scattering data on these geometrically frustrated $$j_{\\rm eff}=1/2$$ Mott insulators provide clear evidence for gapped spin wave excitations with very weak dispersion. The INS results and thermodynamic data on these materials can be reproduced by conventional Heisenberg-Ising models with significant uniaxial Ising anisotropy and sizeable second-neighbor ferromagnetic interactions. Such a uniaxial Ising exchange interaction is symmetry-forbidden on the ideal fcc lattice, so that it can only arise from the weak crystal distortions away from the ideal fcc limit. This may suggest that even weak distortions in $$j_{\\rm eff}=1/2$$ Mott insulators might lead to strong exchange anisotropies. More tantalizingly, however, we find an alternative viable explanation of the INS results in terms of spin models with a dominant Kitaev interaction. In contrast to the uniaxial Ising exchange, the highly-directional Kitaev interaction is a type of exchange anisotropy which is symmetry-allowed even on the ideal fcc lattice. The Kitaev model has a magnon gap induced by quantum order-by-disorder, while weak anisotropies of the Kitaev couplings generated by the symmetry-lowering due to lattice distortions can pin the order and enhance the magnon gap. In conclusion, our findings highlight how even conventional magnetic orders in heavy transition metal oxides may be driven by highly-directional exchange interactions rooted in strong spin-orbit coupling.« less

  15. Highly anisotropic exchange interactions of jeff=1/2 iridium moments on the fcc lattice in La2B IrO6 (B =Mg ,Zn )

    NASA Astrophysics Data System (ADS)

    Aczel, A. A.; Cook, A. M.; Williams, T. J.; Calder, S.; Christianson, A. D.; Cao, G.-X.; Mandrus, D.; Kim, Yong-Baek; Paramekanti, A.

    2016-06-01

    We have performed inelastic neutron scattering (INS) experiments to investigate the magnetic excitations in the weakly distorted face-centered-cubic (fcc) iridate double perovskites La2ZnIrO6 and La2MgIrO6 , which are characterized by A-type antiferromagnetic ground states. The powder inelastic neutron scattering data on these geometrically frustrated jeff=1/2 Mott insulators provide clear evidence for gapped spin-wave excitations with very weak dispersion. The INS results and thermodynamic data on these materials can be reproduced by conventional Heisenberg-Ising models with significant uniaxial Ising anisotropy and sizeable second-neighbor ferromagnetic interactions. Such a uniaxial Ising exchange interaction is symmetry forbidden on the ideal fcc lattice, so that it can only arise from the weak crystal distortions away from the ideal fcc limit. This may suggest that even weak distortions in jeff=1/2 Mott insulators might lead to strong exchange anisotropies. More tantalizingly, however, we find an alternative viable explanation of the INS results in terms of spin models with a dominant Kitaev interaction. In contrast to the uniaxial Ising exchange, the highly directional Kitaev interaction is a type of exchange anisotropy which is symmetry allowed even on the ideal fcc lattice. The Kitaev model has a magnon gap induced by quantum order by disorder, while weak anisotropies of the Kitaev couplings generated by the symmetry lowering due to lattice distortions can pin the order and enhance the magnon gap. Our findings highlight how even conventional magnetic orders in heavy transition metal oxides may be driven by highly directional exchange interactions rooted in strong spin-orbit coupling.

  16. An ab initio study of the fcc and hcp structures of helium.

    PubMed

    Røeggen, I

    2006-05-14

    The hexagonal close packed (hcp) and face centered cubic (fcc) structures of helium are studied by using a new ab initio computational model for large complexes comprising small subsystems. The new model is formulated within the framework of the energy incremental scheme. In the calculation of intra- and intersystem energies, model systems are introduced. To each subsystem associated is a set of partner subsystems defined by a vicinity criterion. In the independent calculations of intra- and intersystem energies, the calculations are performed on model subsystems defined by the subsystems considered and their partner subsystems. A small and a large basis set are associated with each subsystem. For partner subsystems in a model system, the small basis set is adopted. By introducing a particular decomposition scheme, the intermolecular potential is written as a sum of effective one-body potentials. The binding energy per atom in an infinite crystal of atoms is the negative value of this one-body potential. The one-body potentials for hcp and fcc structures are calculated for the following nearest neighbor distances (d0): 4.6, 5.1, 5.4, 5.435, 5.5, 5.61, and 6.1 a.u. The equilibrium distance is 5.44 a.u. for both structures. The equilibrium dimer distance is 5.61 a.u. For the larger distances, i.e., d0 > 5.4 a.u., the difference of the effective one-body potentials for the two structures is less than 0.2 microE(h). However, the hcp structure has the lowest effective one-body potential for all the distances considered. For the smallest distance the difference in the effective one-body potential is 3.9 microE(h). Hence, for solid helium, i.e., helium under high pressure, the hcp structure is the preferred one. The error in the calculated effective one-body potential for the distance d0 = 5.61 a.u. is of the order of 1 microE(h) (approximately 0.5%).

  17. Phase transition from fcc to bcc structure of the Cu-clusters during nanocrystallization of Fe{sub 85.2}Si{sub 1}B{sub 9}P{sub 4}Cu{sub 0.8} soft magnetic alloy

    SciTech Connect

    Nishijima, Masahiko; Matsuura, Makoto; Takenaka, Kana; Takeuchi, Akira; Makino, Akihiro; Ofuchi, Hironori

    2014-05-15

    A role of Cu on the nanocrystallization of an Fe{sub 85.2}Si{sub 1}B{sub 9}P{sub 4}Cu{sub 0.8} alloy was investigated by X-ray absorption fine structure (XAFS) and transmission electron microscopy (TEM). The Cu K-edge XAFS results show that local structure around Cu is disordered for the as-quenched sample whereas it changes to fcc-like structure at 613 K. The fcc Cu-clusters are, however, thermodynamically unstable and begin to transform into bcc structure at 638 K. An explicit bcc structure is observed for the sample annealed at 693 K for 600 s in which TEM observation shows that precipitated bcc-Fe crystallites with ∼12 nm are homogeneously distributed. The bcc structure of the Cu-clusters transforms into the fcc-type again at 973 K, which can be explained by the TEM observations; Cu segregates at grain boundaries between bcc-Fe crystallites and Fe{sub 3}(B,P) compounds. Combining the XAFS results with the TEM observations, the structure transition of the Cu-clusters from fcc to bcc is highly correlated with the preliminary precipitation of the bcc-Fe which takes place prior to the onset of the first crystallization temperature, T{sub x1} = 707 K. Thermodynamic analysis suggests that an interfacial energy density γ between an fcc-Cu cluster and bcc-Fe matrix dominates at a certain case over the structural energy between fcc and bcc Cu, ΔG{sub fcc} {sub −} {sub bcc}, which causes phase transition of the Cu clusters from fcc to bcc structure.

  18. In Situ Determination of BCC-, FCC- and HPC-Iron Textures at Simultaneous High- Pressure and -Temperature by Means of the Resistive Heated Radial Diffraction Diamond Anvil Cell (RH-RD-DAC): Implications for the iron core.

    NASA Astrophysics Data System (ADS)

    Liermann, H.; Merkel, S.; Miyagi, L.; Wenk, H.; Shen, G.; Cynn, H.; Evans, W. J.

    2008-12-01

    Radial diffraction in the diamond anvil cell (DAC) has long been used to determine the stress state of materials under non-hydrostatic compression. This technique is also a major tool to investigate textures and infer deformation mechanisms in the earth mantle and core. However, most of these experiments have been conducted at ambient temperatures and therefore the results of these measurements may be difficult to extrapolate to the deep Earth. Here, we present texture data collected at HPCAT sector 16 BMD of the Advanced Photon Source during the plastic deformation of BCC-, FCC- and HPC-iron at simultaneous high-pressure and temperature in the new Resistive Heated Radial Diffraction Diamond Anvil Cell (RH-RD-DAC). Initial results from Rietveld refinements in MAUD indicate that BCC- iron develops a mixed {100} and {111} texture that remains active during heating. Latter is compatible with previous observations on BCC-iron and interpreted as slip along {110}<111>. Texture obtained after formation of FCC-iron at simultaneous high- pressure and temperatures show a pronounced maximum at {110} with minima at {100} and {111}. This texture is typical for FCC metals in compression with slip on {111}<110>. Processing of the HCP-iron textures at high-pressure and -temperature are under way. We will discuss the implications that the experimental results have for the deformation mechanisms of iron at pressure temperature conditions of the inner core.

  19. Ab initio lattice stability of fcc and hcp Fe-Mn random alloys.

    PubMed

    Gebhardt, T; Music, D; Hallstedt, B; Ekholm, M; Abrikosov, I A; Vitos, L; Schneider, J M

    2010-07-28

    We have studied the lattice stability of face centred cubic (fcc) versus hexagonal close packed (hcp) Fe-Mn random alloys using ab initio calculations. In the calculations we considered the antiferromagnetic order of local moments, which for fcc alloys models the magnetic configuration of this phase at room temperature (below its Néel temperature) as well as their complete disorder, corresponding to paramagnetic fcc and hcp alloys. For both cases, the results are consistent with our thermodynamic calculations, obtained within the Calphad approach. For the room temperature magnetic configuration, the cross-over of the total energies of the hcp phase and the fcc phase of Fe-Mn alloys is at the expected Mn content, whereas for the magnetic configuration above the fcc Néel temperature, the hcp lattice is more stable within the whole composition range studied. The increase of the total energy difference between hcp and antiferromagnetic fcc due to additions of Mn as well as the stabilizing effect of antiferromagnetic ordering on the fcc phase are well displayed. These results are of relevance for understanding the deformation mechanisms of these random alloys.

  20. Orientation relations in aluminide coatings on single crystals of nickel superalloys

    NASA Astrophysics Data System (ADS)

    Khayutin, S. G.

    2008-03-01

    The crystallographic orientation of NiAl refractory coatings on the surface of single crystals of high-temperature nickel alloy ZhS32 is studied. The orientation relation between single-crystal substrates based on an fcc γ-phase and coatings based on a bcc β-phase is studied.

  1. Dynamic-Range Compression For Infrared Imagery

    NASA Technical Reports Server (NTRS)

    Cheng, Li-Jen; Liu, Hua-Kuang

    1989-01-01

    Photorefractive crystals covering detectors prevent saturation. To make full use of information in image, desirable to compress dynamic range of input intensity to within region of approximately linear response of detector. Dynamic-range compression exhibited by measurements of attenuation in photorefractive GaAs. Effective dynamic-range-compressor plate, film, or coating reduces apparent contrast of scene imaged on detector plane to within dynamic range of detectors; original image contrast or intensity data recovered subsequently in electronic image processing because range-compression function and inverse known.

  2. A first-principles study of the phase stability of fcc-based Ti-Al alloys

    SciTech Connect

    Asta, M. . Dept. of Materials Science and Mineral Engineering); de Fontaine, D. . Dept. of Materials Science and Mineral Engineering Lawrence Berkeley Lab., CA ); van Schilfgaarde, M. ); Sluiter, M. (Lawrence Livermore National Lab., CA (Un

    1992-04-01

    In this paper we present results of a first-principles phase stability study of fcc-based Ti-Al alloys. In particular the full-potential linear muffin tin orbital method has been used to determine heats of format on and other zero-temperature properties of 9 fcc ordered superstructures as well as fcc and hcp Ti, and fcc Al. From these results a set of effective cluster interactions are determined which are used in a cluster variation method calculation of the thermodynamic properties and the composition-temperature phase diagram of fcc-based alloys.

  3. Martensitic fcc-to-hcp transformation observed in xenon at high pressure.

    PubMed

    Cynn, H; Yoo, C S; Baer, B; Iota-Herbei, V; McMahan, A K; Nicol, M; Carlson, S

    2001-05-14

    Angle-resolved x-ray diffraction patterns of Xe to 127 GPa indicate that the fcc-to-hcp transition occurs martensitically between 3 and 70 GPa in diamond-anvil cells without an intermediate phase. These data also reveal that the transition occurs by the introduction of stacking disorder in the fcc lattice at low pressure, which grows into hcp domains with increasing pressure. The small energy difference between the hcp and the fcc structures may allow the two phases to coexist over a wide pressure range. Evidence of similar stacking disorder and incipient growth of an hcp phase are also observed in solid Kr.

  4. Observation of continuous and reversible bcc-fcc phase transformation in Ag/V multilayers

    SciTech Connect

    Wei, Q. M.; Liu, X.-Y.; Misra, A.

    2011-03-14

    A continuous and reversible bcc-fcc phase transformation via a rotation of bcc(110) or fcc(111) planes is observed in the Bain orientation relationship in a sputter deposited V/Ag multilayers using high resolution transmission electron microscopy and analyzed using molecular dynamics simulations. As a result of the continuous phase transformation, an intermediate bct phase connecting the bcc and fcc phases coexists, giving rise to the Bain path. The periodic displacement of atoms occurs in every two adjacent Ag and V layers. The alternating shear stress created by misfit strain is responsible for generating such transformation.

  5. First-principles calculations of free energies of unstable phases: the case of fcc W.

    PubMed

    Ozolins, V

    2009-02-13

    Ab initio molecular dynamics simulations are used to solve the long-standing problem of calculating the free energies of unstable phases, such as fcc W. We find that fcc W is mechanically unstable with respect to long-wavelength shear at all temperatures considered (T>2500 K), while the short-wavelength phonon modes are anharmonically stabilized. The calculated fcc-bcc enthalpy and entropy differences at T=3500 K (308 meV and 0.74k_{B} per atom, respectively) agree well with the recent values derived from analysis of experimental data.

  6. Antiferromagnetic resonance in the Mott insulator fcc-Cs3C60.

    PubMed

    Suzuki, Yuta; Shibasaki, Seiji; Kubozono, Yoshihiro; Kambe, Takashi

    2013-09-11

    The magnetic ground state of the fcc phase of the Mott insulator Cs3C60 was studied using a low-temperature electron spin resonance technique, and antiferromagnetic resonance (AFMR) below 1.57 K was directly observed at ambient pressure. The AFMR modes for the fcc phase of Cs3C60 were investigated using a conventional two-sublattice model with uniaxial anisotropy, and the spin-flop field was determined to be 4.7 kOe at 1.57 K. The static magnetic exchange interactions and anisotropy field for fcc-Cs3C60 were also estimated.

  7. Attrition resistant catalysts and sorbents based on heavy metal poisoned FCC catalysts

    DOEpatents

    Gangwal, S.; Jothimurugesan, K.

    1999-07-27

    A heavy metal poisoned, spent FCC catalyst is treated by chemically impregnating the poisoned catalyst with a new catalytic metal or metal salt to provide an attrition resistant catalyst or sorbent for a different catalytic or absorption process, such as catalysts for Fischer-Tropsh Synthesis, and sorbents for removal of sulfur gases from fuel gases and flue-gases. The heavy metal contaminated FCC catalyst is directly used as a support for preparing catalysts having new catalytic properties and sorbents having new sorbent properties, without removing or passivating the heavy metals on the spent FCC catalyst as an intermediate step.

  8. Attrition resistant catalysts and sorbents based on heavy metal poisoned FCC catalysts

    DOEpatents

    Gangwal, Santosh; Jothimurugesan, Kandaswamy

    1999-01-01

    A heavy metal poisoned, spent FCC catalyst is treated by chemically impregnating the poisoned catalyst with a new catalytic metal or metal salt to provide an attrition resistant catalyst or sorbent for a different catalytic or absorption processes, such as catalysts for Fischer-Tropsh Synthesis, and sorbents for removal of sulfur gasses from fuel gases and flue-gases. The heavy metal contaminated FCC catalyst is directly used as a support for preparing catalysts having new catalytic properties and sorbents having new sorbent properties, without removing or "passivating" the heavy metals on the spent FCC catalyst as an intermediate step.

  9. Deformation of Single Crystal Molybdenum at High Pressure

    SciTech Connect

    Bonner, B P; Aracne, C; Farber, D L; Boro, C O; Lassila, D H

    2004-02-24

    Single crystal samples of micron dimensions oriented in the [001] direction were shortened 10 to 40% in uniaxial compression with superposed hydrostatic pressure to begin investigation of how the onset of yielding evolves with pressure. A testing machine based on opposed anvil geometry with precision pneumatic control of the applied force and capability to measure sub micron displacements was developed to produce shape changing deformation at pressure. The experiments extend observations of pressure dependent deformation to {approx}5Gpa at shortening rates of {approx}2*10{sup -4}. Samples have been recovered for post run characterization and analysis to determine if deformation mechanisms are altered by pressure. Experiments under hydrostatic pressure provide insight into the nature of materials under extreme conditions, and also provide a means for altering deformation behavior in a controlled fashion. The approach has a long history demonstrating that pressure enhances ductility in general, and produces enhanced hardening relative to that expected from normal cold work in the BCC metals Mo, Ta and Nb{sup 2}. The pressure hardening is in excess of that predicted from the measured increase in shear modulus at pressure, and therefore is likely due to a dislocation mechanism, such as suppression of kink pair formation or the interaction of forest dislocation cores, and not from lattice resistance. The effect has not been observed in FCC metals, suggesting a fundamental difference between deformation mechanisms at pressure for the two classes. The purpose of this letter is to investigate the origin of pressure hardening with new experiments that extend the pressure range beyond 3 GPa, the upper limit of conventional large sample (1cm{sup 3}) testing methods. Most previous high pressure deformation studies have been on poly crystals, relying on model dependent analysis to infer the maximum deviatoric stress that a deformed sample can support. In one experiment, a

  10. Thallium under extreme compression

    NASA Astrophysics Data System (ADS)

    Cazorla, C.; MacLeod, S. G.; Errandonea, D.; Munro, K. A.; McMahon, M. I.; Popescu, C.

    2016-11-01

    We present a combined theoretical and experimental study of the high-pressure behavior of thallium. X-ray diffraction experiments have been carried out at room temperature (RT) up to 125 GPa using diamond-anvil cells (DACs), nearly doubling the pressure range of previous experiments. We have confirmed the hcp-fcc transition at 3.5 GPa and determined that the fcc structure remains stable up to the highest pressure attained in the experiments. In addition, HP-HT experiments have been performed up to 8 GPa and 700 K by using a combination of XRD and a resistively heated DAC. Information on the phase boundaries is obtained, as well as crystallographic information on the HT bcc phase. The equation of state (EOS) for different phases is reported. Ab initio calculations have also been carried out considering several potential high-pressure structures. They are consistent with the experimental results and predict that, among the structures considered in the calculations, the fcc structure of thallium is stable up to 4.3 TPa. Calculations also predict the post-fcc phase to have a close-packed orthorhombic structure above 4.3 TPa.

  11. Thallium under extreme compression.

    PubMed

    Cazorla, C; MacLeod, S G; Errandonea, D; Munro, K A; McMahon, M I; Popescu, C

    2016-11-09

    We present a combined theoretical and experimental study of the high-pressure behavior of thallium. X-ray diffraction experiments have been carried out at room temperature (RT) up to 125 GPa using diamond-anvil cells (DACs), nearly doubling the pressure range of previous experiments. We have confirmed the hcp-fcc transition at 3.5 GPa and determined that the fcc structure remains stable up to the highest pressure attained in the experiments. In addition, HP-HT experiments have been performed up to 8 GPa and 700 K by using a combination of XRD and a resistively heated DAC. Information on the phase boundaries is obtained, as well as crystallographic information on the HT bcc phase. The equation of state (EOS) for different phases is reported. Ab initio calculations have also been carried out considering several potential high-pressure structures. They are consistent with the experimental results and predict that, among the structures considered in the calculations, the fcc structure of thallium is stable up to 4.3 TPa. Calculations also predict the post-fcc phase to have a close-packed orthorhombic structure above 4.3 TPa.

  12. Formation of Superlattices of Gold Nanoparticles Using Ostwald Ripening in Emulsions: Transition from fcc to bcc Structure.

    PubMed

    Schmitt, Julien; Hajiw, Stéphanie; Lecchi, Amélie; Degrouard, Jéril; Salonen, Anniina; Impéror-Clerc, Marianne; Pansu, Brigitte

    2016-06-30

    An efficient method to form 3D superlattices of gold nanoparticles inside oil emulsion droplets is presented. We demonstrate that this method relies on Ostwald ripening, a well-known phenomenon occurring during the aging of emulsions. The key point is that the nanoparticle concentration inside the smaller droplets is increasing very slowly with time, thus inducing the crystallization of the nanoparticles into superlattices. Using oil-in-water emulsions doped with hydrophobic gold nanoparticles, we demonstrate that this method is efficient for different types of oils (toluene, cyclohexane, dodecane, and hexadecane). 3D superlattices of the nanoparticles are obtained, with dimensions reaching a hundred nanometers. The kinetics of the crystallization depends on the solubility of the oil in water but also on the initial concentration of the gold nanoparticles in oil. This method also provides an innovative way to obtain the complete phase diagram of nanoparticle suspensions with concentration. Indeed, during this slow crystallization process, a transition from a disordered suspension to a fcc structure is observed, followed by a transition toward a bcc structure. This evolution with time provides key results to understand the role played by the ligands located at the surface of the nanoparticles in order to control the type of superlattices which are formed.

  13. Turbulence in Compressible Flows

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Lecture notes for the AGARD Fluid Dynamics Panel (FDP) Special Course on 'Turbulence in Compressible Flows' have been assembled in this report. The following topics were covered: Compressible Turbulent Boundary Layers, Compressible Turbulent Free Shear Layers, Turbulent Combustion, DNS/LES and RANS Simulations of Compressible Turbulent Flows, and Case Studies of Applications of Turbulence Models in Aerospace.

  14. 47 CFR 0.409 - Commission policy on private printing of FCC forms.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... ORGANIZATION General Information General § 0.409 Commission policy on private printing of FCC forms. The... in quality to the original document, without change to the page size, image size, configuration...

  15. 76 FR 20976 - Wireline Competition Bureau Releases 2011 Annual Telecommunications Reporting Worksheet (FCC Form...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-04-14

    ... COMMISSION Wireline Competition Bureau Releases 2011 Annual Telecommunications Reporting Worksheet (FCC Form.... SUMMARY: In this document, the Wireline Competition Bureau released the revised annual Telecommunications... (describing a filer's principal telecommunications activities) into Appendix B. (5) Noting that...

  16. Spin frustration and magnetic ordering in the Mott insulating fcc-Cs3C60

    NASA Astrophysics Data System (ADS)

    Kasahara, Yuichi; Takeuchi, Yuki; Itou, Tatsuaki; Iwasa, Yoshihiro; Arcon, Denis; Rosseinsky, Matthew; Prassides, Kosmas

    2014-03-01

    The low-temperature magnetic state at ambient pressure has been investigated by specific heat and nuclear magnetic resonance (NMR) measurements in face-centered-cubic (fcc-) Cs3C60, which is characterized by a Mott insulating state with S = 1 / 2 spins in C603- anions and a geometrical spin frustration inherent in the fcc lattice. Specific heat exhibited no sharp anomaly down to 0.4 K, but both magnetic specific heat and NMR relaxation rate revealed a broad peak around 2.5 K, indicating that the reported antiferromagnetic ordering is accompanied by a gradual freezing of electronic spins with distributed transition temperatures. These results are unexpected in the conventional fcc antiferromagnets. Interplay of geometrical frustration, orientational disorder of C60 molecules, and weak Mottness gives rise to the unique magnetic ground state in fcc-Cs3C60.

  17. 78 FR 34099 - FCC Extends Pleading Cycle for Indecency Cases Policy

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-06-06

    ... From the Federal Register Online via the Government Publishing Office FEDERAL COMMUNICATIONS COMMISSION FCC Extends Pleading Cycle for Indecency Cases Policy AGENCY: Federal Communications Commission. ACTION: Notice. SUMMARY: In this document, the Federal Communications Commission Enforcement Bureau...

  18. Lattice parameters of fcc binary alloys using a new semiempirical method

    NASA Technical Reports Server (NTRS)

    Bozzolo, Guillermo; Ferrante, John

    1992-01-01

    A new method is presented for the calculation of heats of formation, lattice parameters and cohesive energies of binary alloys. The method is applied to some fcc alloys and compared with experimental data, as well as other semiempirical results.

  19. Growth and micromagnetism of self-assembled epitaxial fcc(111) cobalt dots.

    PubMed

    Fruchart, O; Masseboeuf, A; Toussaint, J C; Bayle-Guillemaud, P

    2013-12-11

    We develop the self-assembly of epitaxial submicrometer-sized face-centered-cubic (fcc) Co(111) dots using pulsed laser deposition. The dots display atomically flat facets, from which the ratios of surface and interface energies for fcc Co are deduced. Zero-field magnetic structures are investigated with magnetic force and Lorentz microscopies, revealing vortex-based flux-closure patterns. A good agreement is found with micromagnetic simulations.

  20. Detection of helium bubble formation at fcc-bcc interfaces using neutron reflectometry

    NASA Astrophysics Data System (ADS)

    Kashinath, A.; Wang, P.; Majewski, J.; Baldwin, J. K.; Wang, Y. Q.; Demkowicz, M. J.

    2013-07-01

    We use neutron reflectometry to find the critical helium (He) fluence required to form He bubbles at interfaces between fcc and bcc metals. Our findings are in agreement with previous experimental as well as modeling results and provide evidence for the presence of stable He platelets at fcc-bcc interfaces prior to bubble formation. The stable storage of He in interfacial platelets may provide the basis for the design of materials with increased resistance to He-induced degradation.

  1. Cubic to tetragonal crystal lattice reconstruction during ordering or decomposition

    SciTech Connect

    Cheong, Byung-kl

    1992-09-01

    This thesis studied thermodynamic stability and morphology of product phases in diffusional phase transformations involving cubic-to-tetragonal crystal lattice reconstructions. Two different kinds of diffusional transformations were examined: L1{sub 0} ordering (fcc to fct lattice change) and decomposition of off-stoichiometric B2 ordering alloys accompanying bcc to fcc Bain transformation. In the first case, Fe-45 at.% Pd alloys were studied by TEM; in the second, the Bain strain relaxation during decomposition of hyper-eutectoid Cu-9.04 wt% Be alloy was studied. CuAu and InMg were also studied.

  2. Scaling Laws and Critical Properties for fcc and hcp Metals.

    PubMed

    Desgranges, Caroline; Widhalm, Leanna; Delhommelle, Jerome

    2016-06-16

    The determination of the critical parameters of metals has remained particularly challenging both experimentally, because of the very large temperatures involved, and theoretically, because of the many-body interactions that take place in metals. Moreover, experiments have shown that these systems exhibit an unusually strong asymmetry of their binodal. Recent theoretical work has led to new similarity laws, based on the calculation of the Zeno line and of the underlying Boyle parameters, which provided results for the critical properties of atomic and molecular systems in excellent agreement with experiments. Using the recently developed expanded Wang-Landau (EWL) simulation method, we evaluate the grand-canonical partition function, over a wide range of conditions, for 11 fcc and hcp metals (Ag, Al, Au, Be, Cu, Ir, Ni, Pb, Pd, Pt, and Rh), modeled with a many-body interaction potential. This allows us to calculate the binodal, Zeno line, and Boyle parameters and, in turn, obtain the critical properties for these systems. We also propose two scaling laws for the enthalpy and entropy of vaporization, and identify critical exponents of 0.4 and 1.22 for these two laws, respectively.

  3. Multiscale modeling of radiation effects in fcc and bcc metals

    SciTech Connect

    Alonso, E; Caturla, M; Diaz de la Rubia, T; Felter, T; Fluss, M; Perlado, J; Wall, M; Wirth, B

    1999-07-15

    The prospect of using computer simulations to calculate radiation-induced defect production and its influence on microstructure evolution and mechanical property changes during prolonged irradiation of nuclear materials has been a beckoning, yet elusive goal for many years. However, the enormous progress achieved in computational physics for calculating reliable, yet tractable interatomic potentials, coupled with vast improvements in computational power have brought this hope to near reality. In order to develop modeling and simulation tools for predicting the irradiation response of nuclear structural materials, models must be implemented and tested across all relevant length and time scales. We discuss the development and implementation of a modeling methodology that consists of the linkage and hierarchical use of ab initio electronic structure calculations, molecular dynamics (MD) simulations, and kinetic Monte Carlo (KMC) simulations. This methodology can describe length and time scales from nanometers to hundreds of microns and from picoseconds to years, respectively. The ideas are demonstrated in two applications. First, we describe simulations that describe the irradiation and subsequent isochronal annealing of Pb, a low melting point fcc metal, and compare the results to experiments. Second, we show how these methods can be used to investigate damage production and freely migrating defect formation in irradiated V, the key component of candidate low activation alloys for fusion energy applications.

  4. Orbitide Composition of the Flax Core Collection (FCC).

    PubMed

    Burnett, Peta-Gaye Gillian; Olivia, Clara Marisa; Okinyo-Owiti, Denis Paskal; Reaney, Martin John Tarsisius

    2016-06-29

    The flax (Linum usitatissimum L.) core collection (FCC) was regenerated in Saskatoon, Saskatchewan and Morden, Manitoba in 2009. Seed orbitide content and composition from successfully propagated plants of 391 accessions were analyzed using high-throughput analyses employing high-performance liquid chromatography (HPLC) with reverse-phase monolithic HPLC columns and diode array detection (HPLC-DAD). Seed from plants regenerated in Morden had comparatively higher orbitide content than those grown in Saskatoon. Concentrations of orbitides encoded by contig AFSQ01016651.1 (1, 3, and 8) were higher than those encoded by AFSQ01025165.1 (6, 13, and 17) for most accessions in both locations. The cultivar 'Primus' from Poland and an unnamed accession (CN 101580 of unknown origin) exhibited the highest ratio of sum of [1,3,8] to a sum of [6,13,17]. Conversely, the lowest orbitide concentrations and ratio of [1,3,8] to [6,13,17] were observed in cultivars 'Hollandia' and 'Z 11637', both from The Netherlands. Orbitide expression did not correlate with flax morphological and other chemical traits.

  5. Phase diagram of power law and Lennard-Jones systems: Crystal phases

    SciTech Connect

    Travesset, Alex

    2014-10-28

    An extensive characterization of the low temperature phase diagram of particles interacting with power law or Lennard-Jones potentials is provided from Lattice Dynamical Theory. For power law systems, only two lattice structures are stable for certain values of the exponent (or softness) (A15, body centered cube (bcc)) and two more (face centered cubic (fcc), hexagonal close packed (hcp)) are always stable. Among them, only the fcc and bcc are equilibrium states. For Lennard-Jones systems, the equilibrium states are either hcp or fcc, with a coexistence curve in pressure and temperature that shows reentrant behavior. The hcp solid never coexists with the liquid. In all cases analyzed, for both power law and Lennard-Jones potentials, the fcc crystal has higher entropy than the hcp. The role of anharmonic terms is thoroughly analyzed and a general thermodynamic integration to account for them is proposed.

  6. Phase diagram of power law and Lennard-Jones systems: crystal phases.

    PubMed

    Travesset, Alex

    2014-10-28

    An extensive characterization of the low temperature phase diagram of particles interacting with power law or Lennard-Jones potentials is provided from Lattice Dynamical Theory. For power law systems, only two lattice structures are stable for certain values of the exponent (or softness) (A15, body centered cube (bcc)) and two more (face centered cubic (fcc), hexagonal close packed (hcp)) are always stable. Among them, only the fcc and bcc are equilibrium states. For Lennard-Jones systems, the equilibrium states are either hcp or fcc, with a coexistence curve in pressure and temperature that shows reentrant behavior. The hcp solid never coexists with the liquid. In all cases analyzed, for both power law and Lennard-Jones potentials, the fcc crystal has higher entropy than the hcp. The role of anharmonic terms is thoroughly analyzed and a general thermodynamic integration to account for them is proposed.

  7. Phase diagram of power law and Lennard-Jones systems: Crystal phases

    NASA Astrophysics Data System (ADS)

    Travesset, Alex

    2014-10-01

    An extensive characterization of the low temperature phase diagram of particles interacting with power law or Lennard-Jones potentials is provided from Lattice Dynamical Theory. For power law systems, only two lattice structures are stable for certain values of the exponent (or softness) (A15, body centered cube (bcc)) and two more (face centered cubic (fcc), hexagonal close packed (hcp)) are always stable. Among them, only the fcc and bcc are equilibrium states. For Lennard-Jones systems, the equilibrium states are either hcp or fcc, with a coexistence curve in pressure and temperature that shows reentrant behavior. The hcp solid never coexists with the liquid. In all cases analyzed, for both power law and Lennard-Jones potentials, the fcc crystal has higher entropy than the hcp. The role of anharmonic terms is thoroughly analyzed and a general thermodynamic integration to account for them is proposed.

  8. Diffusion-controlled anisotropic growth of stable and metastable crystal polymorphs in the phase-field crystal model.

    PubMed

    Tegze, G; Gránásy, L; Tóth, G I; Podmaniczky, F; Jaatinen, A; Ala-Nissila, T; Pusztai, T

    2009-07-17

    We use a simple density functional approach on a diffusional time scale, to address freezing to the body-centered cubic (bcc), hexagonal close-packed (hcp), and face-centered cubic (fcc) structures. We observe faceted equilibrium shapes and diffusion-controlled layerwise crystal growth consistent with two-dimensional nucleation. The predicted growth anisotropies are discussed in relation with results from experiment and atomistic simulations. We also demonstrate that varying the lattice constant of a simple cubic substrate, one can tune the epitaxially growing body-centered tetragonal structure between bcc and fcc, and observe a Mullins-Sekerka-Asaro-Tiller-Grinfeld-type instability.

  9. Isomorph invariance of the structure and dynamics of classical crystals

    NASA Astrophysics Data System (ADS)

    Albrechtsen, Dan E.; Olsen, Andreas E.; Pedersen, Ulf R.; Schrøder, Thomas B.; Dyre, Jeppe C.

    2014-09-01

    This paper shows by computer simulations that some crystalline systems have curves in their thermodynamic phase diagrams, so-called isomorphs, along which structure and dynamics in reduced units are invariant to a good approximation. The crystals are studied in a classical-mechanical framework, which is generally a good description except significantly below melting. The existence of isomorphs for crystals is validated by simulations of particles interacting via the Lennard-Jones pair potential arranged into a face-centered cubic (fcc) crystalline structure; the slow vacancy-jump dynamics of a defective fcc crystal is also shown to be isomorph invariant. In contrast, a NaCl crystal model does not exhibit isomorph invariances. Other systems simulated, though in less detail, are the Wahnström binary Lennard-Jones crystal with the MgZn2 Laves crystal structure, monatomic fcc crystals of particles interacting via the Buckingham pair potential and via a purely repulsive pair potential diverging at a finite separation, an ortho-terphenyl molecular model crystal, and SPC/E hexagonal ice. Except for NaCl and ice, the crystals simulated all have isomorphs. Based on previous simulations of liquid models, we conjecture that crystalline solids with isomorphs include most or all formed by atoms or molecules interacting via metallic or van der Waals forces, whereas covalently bonded or hydrogen-bonded crystals are not expected to have isomorphs; crystals of ions or dipolar molecules constitute a limiting case for which isomorphs are only expected when the Coulomb interactions are relatively weak. We briefly discuss the consequences of the findings for theories of melting and crystallization.

  10. The frustrated fcc antiferromagnet Ba2 YOsO6: Structural characterization, magnetic properties and neutron scattering studies

    DOE PAGES

    Kermarrec, E.; Marjerrison, Casey A.; Thompson, C. M.; ...

    2015-02-26

    Here we report the crystal structure, magnetization, and neutron scattering measurements on the double perovskite Ba2 YOsO6. The Fmmore » $$\\bar{3}$$m space group is found both at 290 K and 3.5 K with cell constants a0=8.3541(4) Å and 8.3435(4) Å, respectively. Os5+ (5d3) ions occupy a nondistorted, geometrically frustrated face-centered-cubic (fcc) lattice. A Curie-Weiss temperature θ ~₋700 K suggests the presence of a large antiferromagnetic interaction and a high degree of magnetic frustration. A magnetic transition to long-range antiferromagnetic order, consistent with a type-I fcc state below TN~69 K, is revealed by magnetization, Fisher heat capacity, and elastic neutron scattering, with an ordered moment of 1.65(6) μB on Os5+. The ordered moment is much reduced from either the expected spin-only value of ~3 μB or the value appropriate to 4d3 Ru5+ in isostructural Ba2 YRuO6 of 2.2(1) μB, suggesting a role for spin-orbit coupling (SOC). Triple-axis neutron scattering measurements of the order parameter suggest an additional first-order transition at T=67.45 K, and the existence of a second-ordered state. We find time-of-flight inelastic neutron results reveal a large spin gap Δ~17 meV, unexpected for an orbitally quenched, d3 electronic configuration. In conclusion, we discuss this in the context of the ~5 meV spin gap observed in the related Ru5+,4d3 cubic double perovskite Ba2YRuO6, and attribute the ~3 times larger gap to stronger SOC present in this heavier, 5d, osmate system.« less

  11. Phononic crystals of poroelastic spheres

    NASA Astrophysics Data System (ADS)

    Alevizaki, A.; Sainidou, R.; Rembert, P.; Morvan, B.; Stefanou, N.

    2016-11-01

    An extension of the layer-multiple-scattering method to phononic crystals of poroelastic spheres immersed in a fluid medium is developed. The applicability of the method is demonstrated on specific examples of close-packed fcc crystals of submerged water-saturated meso- and macroporous silica microspheres. It is shown that, by varying the pore size and/or the porosity, the transmission, reflection, and absorption spectra of finite slabs of these crystals are significantly altered. Strong absorption, driven by the slow waves in the poroelastic material and enhanced by multiple scattering, leads to negligible transmittance over an extended frequency range, which might be useful for practical applications in broadband acoustic shielding. The results are analyzed by reference to relevant phononic dispersion diagrams in the viscous and inertial coupling limits, and a consistent interpretation of the underlying physics is provided.

  12. High Temperature Properties of the Fcc Metallic Crystals in the Anharmonic Approximation

    DTIC Science & Technology

    2001-01-01

    interactions were approximated by the Morse and Lennard - Jones pair potential functions. Unfortunately, the parameters of these potentials were...Au) we take as a model of interatomic interactions the (alpha,m) Buckingham, (n,m) Lennard - Jones and (alpha,beta) Morse pair potentials with the

  13. The length change of a dislocation junction in FCC-single crystals under stress

    NASA Astrophysics Data System (ADS)

    Kurinnaya, Raisa; Zgolich, Marina; Starenchenko, Vladimir; Sadritdinova, Gulnora

    2016-01-01

    The product of dislocation reactions among dislocations of non-coplanar slip systems are dislocation junctions. The paper presents the study on the length change of dislocation junctions under stress. It is revealed that dislocation junctions can be destructed by merging of triple dislocation nodes at certain inclination angles of the glide dislocation and the forest dislocation to the junction line and the corresponding lengths of free segments of intersecting dislocations. Dislocation junctions formed at an arbitrary intersection of segments of the reacting dislocation are investigated. The geometry of the intersection of segments of reacting dislocations, at which dislocation junctions are not completely destructed under stress but cease to be an obstacle for further motion of the glide dislocation, is determined. Such junctions remain in the shear zone, presenting an obstacle to other glide dislocations. Conditions under which the length of the dislocation junction increases with an increase in the stress exceeding the original length are found. The formed extended barrier becomes too strong for the acting stress. Higher stresses are required in order to destruct it. The probability of completely destructible junctions under stress, the probability of non-destructible junctions that remain in the shear zone and replenish the density of dislocation debris, as well as the probability of formation of long strong junctions, which are barriers capable of limiting the shear zone, are determined.

  14. Sensitivity to grain discretization of the simulated crystal stress distributions in FCC polycrystals

    NASA Astrophysics Data System (ADS)

    Ritz, H.; Dawson, P. R.

    2009-01-01

    An elastoviscoplastic finite element model of aluminum alloys is used to compare mechanical response among meshes formed with several different grain shapes. Tetrahedral elements are used to form grains of cubic, rhombic dodecahedral and truncated octahedral shape. The influence of the grain shape on the aggregate response is examined in terms of the stress variation and the aggregate elastic moduli. While elastic anisotropy in the bulk material is not found to be dependent on grain shape, consistent trends are observed in intragranular and intergranular stress distributions across these mesh definitions.

  15. Aluminum exchanged sepiolite as components of FCC catalysts

    SciTech Connect

    Corma, A.; Fornes, V.; Mifsud, A.; Perez-Pariente, J. )

    1990-08-01

    Sepiolite is a fibrous magnesium silicate, which is formed of talc-like ribbons arranged in such a way that the tetrahedral sheet is continuous but inverts apical directions in adjacent ribbons. In this way, channels of 10.8 {times} 4.0 {angstrom} in a cross-section perpendicular to the length of the fiber (C axis) are generated. The average fiber length of the mineral varies between 0.5 and 1.0 {mu}m, and reagent molecules have only access to a small portion of the interior of the channels. Natural or acid leached sepiolite have been found useful for vanadium passivation in FCC catalysts. The authors have modified the sepiolite in order to improve the textural characteristics, while removing the Mg{sup 2+} ions of the border and introducing other cations which can give acid properties to this material. Conclusions are as follows: (1) It is possible to prepare, by a conventional treatment, sepiolites in which the magnesium at the borders of the channels has been substituted by Al{sup 3+}. (2) These samples show a much higher acidity and hydrothermal stability than natural sepiolites, being most of the acidity in the range of mild strengths. (3) Aluminic sepiolites, while being good for vanadium passivation, do not present the inconvenience due to Mg migrations to the zeolite (if in the same particle) shown by natural sepiolite. (4) They present a good gasoil cracking activity and selectivity, specially useful for bottoms conversion. All these characteristics make aluminum sepiolites materials worth testing in a larger scale for catalytic cracking of residues.

  16. Monte Carlo Studies of the Fcc Ising Model.

    NASA Astrophysics Data System (ADS)

    Polgreen, Thomas Lee

    Monte Carlo simulations are performed on the antiferromagnetic fcc Ising model which is relevant to the binary alloy CuAu. The model exhibits a first-order ordering transition as a function of temperature. The lattice free energy of the model is determined for all temperatures. By matching free energies of the ordered and disordered phases, the transition temperature is determined to be T(,t) = 1.736 J where J is the coupling constant of the model. The free energy as determined by series expansion and the Kikuchi cluster variation method is compared with the Monte Carlo results. These methods work well for the ordered phase, but not for the disordered phase. A determination of the pair correlation in the disordered phase along the {100} direction indicates a correlation length of (DBLTURN) 2.5a at the phase transition. The correlation length exhibits mean-field-like temperature dependence. The Cowley-Warren short range order parameters are determined as a function of temperature for the first twelve nearest-neighbor shells of this model. The Monte Carlo results are used to determine the free parameter in a mean-field-like class of theories described by Clapp and Moss. The ability of these theories to predict ratios between pair potentials is tested with these results. In addition, evidence of a region of heterophase fluctuations is presented in agreement with x-ray diffuse scattering measurements on Cu(,3)Au. The growth of order following a rapid quench from disorder is studied by means of a dynamic Monte Carlo simulation. The results compare favorably with the Landau theory proposed by Chan for temperatures near the first-order phase transition. For lower temperatures, the results are in agreement with the theories of Lifshitz and Allen and Chan. In the intermediate temperature range, our extension of Chan's theory is able to explain our simulation results and recent experimental results.

  17. Microbunching and RF Compression

    SciTech Connect

    Venturini, M.; Migliorati, M.; Ronsivalle, C.; Ferrario, M.; Vaccarezza, C.

    2010-05-23

    Velocity bunching (or RF compression) represents a promising technique complementary to magnetic compression to achieve the high peak current required in the linac drivers for FELs. Here we report on recent progress aimed at characterizing the RF compression from the point of view of the microbunching instability. We emphasize the development of a linear theory for the gain function of the instability and its validation against macroparticle simulations that represents a useful tool in the evaluation of the compression schemes for FEL sources.

  18. Molecular dynamics simulations of the mechanisms controlling the propagation of bcc/fcc semi-coherent interfaces in iron

    NASA Astrophysics Data System (ADS)

    Ou, X.; Sietsma, J.; Santofimia, M. J.

    2016-06-01

    Molecular dynamics simulations have been used to study the effects of different orientation relationships between fcc and bcc phases on the bcc/fcc interfacial propagation in pure iron systems at 300 K. Three semi-coherent bcc/fcc interfaces have been investigated. In all the cases, results show that growth of the bcc phase starts in the areas of low potential energy and progresses into the areas of high potential energy at the original bcc/fcc interfaces. The phase transformation in areas of low potential energy is of a martensitic nature while that in the high potential energy areas involves occasional diffusional jumps of atoms.

  19. Compressed gas manifold

    DOEpatents

    Hildebrand, Richard J.; Wozniak, John J.

    2001-01-01

    A compressed gas storage cell interconnecting manifold including a thermally activated pressure relief device, a manual safety shut-off valve, and a port for connecting the compressed gas storage cells to a motor vehicle power source and to a refueling adapter. The manifold is mechanically and pneumatically connected to a compressed gas storage cell by a bolt including a gas passage therein.

  20. The hcp to fcc transformation path of scandium trihydride under high pressure.

    PubMed

    Pakornchote, T; Pinsook, U; Bovornratanaraks, T

    2014-01-15

    We used density functional theory to calculate the phase stability of the hcp (hexagonal close packed) and the fcc (face centered cubic) structures of ScH3. The hcp form is stable up to 22 GPa according to the generalized gradient approximation calculation. Then the fcc form becomes energetically more stable. In order to provide insight into the phase transition mechanism, we modeled the hcp to fcc transition by sliding the hcp basal planes, i.e. (001)h planes, in such a way that the ABABAB sequence of the hcp form is altered into the ABCABC sequence of the fcc form. This sliding was suggested by the experiment. The configurations of these sliding steps are our proposed intermediate configurations, whose symmetry group is the Cm group. By using the Cm crystallography, we can match the d-spacings from the lattice planes of the hcp and fcc forms and the intermediate planes measured from the experiment. We also calculated the enthalpy per step, from which the energy barrier between the two phases at various pressures was derived. The barrier at 35 GPa is 0.370 eV per formula or 0.093 eV/atom. The movements of the hydrogen atoms during the hcp to intermediate phase transition are consistent with the result from the Raman spectra.

  1. Unique Bonding Properties of the Au36(SR)24 Nanocluster with FCC-Like Core.

    PubMed

    Chevrier, Daniel M; Chatt, Amares; Zhang, Peng; Zeng, Chenjie; Jin, Rongchao

    2013-10-03

    The recent discovery on the total structure of Au36(SR)24, which was converted from biicosahedral Au38(SR)24, represents a surprising finding of a face-centered cubic (FCC)-like core structure in small gold-thiolate nanoclusters. Prior to this finding, the FCC feature was only expected for larger (nano)crystalline gold. Herein, we report results on the unique bonding properties of Au36(SR)24 that are associated with its FCC-like core structure. Temperature-dependent X-ray absorption spectroscopy (XAS) measurements at the Au L3-edge, in association with ab initio calculations, show that the local structure and electronic behavior of Au36(SR)24 are of more molecule-like nature, whereas its icosahedral counterparts such as Au38(SR)24 and Au25(SR)18 are more metal-like. Moreover, site-specific S K-edge XAS studies indicate that the bridging motif for Au36(SR)24 has different bonding behavior from the staple motif from Au38(SR)24. Our findings highlight the important role of "pseudo"-Au4 units within the FCC-like Au28 core in interpreting the bonding properties of Au36(SR)24 and suggest that FCC-like structure in gold thiolate nanoclusters should be treated differently from its bulk counterpart.

  2. Negative linear compressibility in common materials

    SciTech Connect

    Miller, W.; Evans, K. E.; Marmier, A.

    2015-06-08

    Negative linear compressibility (NLC) is still considered an exotic property, only observed in a few obscure crystals. The vast majority of materials compress axially in all directions when loaded in hydrostatic compression. However, a few materials have been observed which expand in one or two directions under hydrostatic compression. At present, the list of materials demonstrating this unusual behaviour is confined to a small number of relatively rare crystal phases, biological materials, and designed structures, and the lack of widespread availability hinders promising technological applications. Using improved representations of elastic properties, this study revisits existing databases of elastic constants and identifies several crystals missed by previous reviews. More importantly, several common materials-drawn polymers, certain types of paper and wood, and carbon fibre laminates-are found to display NLC. We show that NLC in these materials originates from the misalignment of polymers/fibres. Using a beam model, we propose that maximum NLC is obtained for misalignment of 26°. The existence of such widely available materials increases significantly the prospects for applications of NLC.

  3. Negative linear compressibility in common materials

    NASA Astrophysics Data System (ADS)

    Miller, W.; Evans, K. E.; Marmier, A.

    2015-06-01

    Negative linear compressibility (NLC) is still considered an exotic property, only observed in a few obscure crystals. The vast majority of materials compress axially in all directions when loaded in hydrostatic compression. However, a few materials have been observed which expand in one or two directions under hydrostatic compression. At present, the list of materials demonstrating this unusual behaviour is confined to a small number of relatively rare crystal phases, biological materials, and designed structures, and the lack of widespread availability hinders promising technological applications. Using improved representations of elastic properties, this study revisits existing databases of elastic constants and identifies several crystals missed by previous reviews. More importantly, several common materials—drawn polymers, certain types of paper and wood, and carbon fibre laminates—are found to display NLC. We show that NLC in these materials originates from the misalignment of polymers/fibres. Using a beam model, we propose that maximum NLC is obtained for misalignment of 26°. The existence of such widely available materials increases significantly the prospects for applications of NLC.

  4. Crystallographic dependence of CO activation on cobalt catalysts: HCP versus FCC.

    PubMed

    Liu, Jin-Xun; Su, Hai-Yan; Sun, Da-Peng; Zhang, Bing-Yan; Li, Wei-Xue

    2013-11-06

    Identifying the structure sensitivity of catalysts in reactions, such as Fischer-Tropsch synthesis from CO and H2 over cobalt catalysts, is an important yet challenging issue in heterogeneous catalysis. Based on a first-principles kinetic study, we find for the first time that CO activation on hexagonal close-packed (HCP) Co not only has much higher intrinsic activity than that of face centered-cubic (FCC) Co but also prefers a different reaction route, i.e., direct dissociation with HCP Co but H-assisted dissociation on the FCC Co. The origin is identified from the formation of various denser yet favorable active sites on HCP Co not available for FCC Co, due to their distinct crystallographic structure and morphology. The great dependence of the activity on the crystallographic structure and morphology of the catalysts revealed here may open a new avenue for better, stable catalysts with maximum mass-specific reactivity.

  5. Reducing the formation of FIB-induced FCC layers on Cu-Zn-Al austenite.

    PubMed

    Zelaya, Eugenia; Schryvers, Dominique

    2011-01-01

    The irradiation effects of thinning a sample of a Cu-Zn-Al shape memory alloy to electron transparency by a Ga(+) focused ion beam were investigated. This thinning method was compared with conventional electropolishing and Ar(+) ion milling. No implanted Ga was detected but surface FCC precipitation was found as a result of the focused ion beam sample preparation. Decreasing the irradiation dose by lowering the energy and current of the Ga(+) ions did not lead to a complete disappearance of the FCC structure. The latter could only be removed after gentle Ar(+) ion milling of the sample. It was further concluded that the precipitation of the FCC is independent of the crystallographic orientation of the surface.

  6. Interdiffusion and Diffusion Mobility for fcc Ni-Co-Al Alloys

    NASA Astrophysics Data System (ADS)

    Wang, Yang; Zhu, Naqiong; Wang, Hao; Lu, Xiao-Gang

    2016-12-01

    Ternary fcc Ni-Co-Al diffusion couples annealed at 1173 K (900 °C), 1373 K (1100 °C), and 1573 K (1300 °C) have been studied by using electron probe microanalysis. The interdiffusion coefficients were extracted using the Sauer-Freise and Whittle-Green methods from the measured concentration profiles of binary and ternary diffusion couples, respectively. Based on the diffusion coefficients reported in the literature and those determined in the present work, the diffusion mobilities for fcc Ni-Co-Al alloys were assessed. In general, reasonable agreements were reached and the resulted mobility database can be used to study the diffusion behavior of the ternary fcc Ni-Co-Al alloys in a wide composition range.

  7. Interdiffusion and Diffusion Mobility for fcc Ni-Co-Al Alloys

    NASA Astrophysics Data System (ADS)

    Wang, Yang; Zhu, Naqiong; Wang, Hao; Lu, Xiao-Gang

    2017-03-01

    Ternary fcc Ni-Co-Al diffusion couples annealed at 1173 K (900 °C), 1373 K (1100 °C), and 1573 K (1300 °C) have been studied by using electron probe microanalysis. The interdiffusion coefficients were extracted using the Sauer-Freise and Whittle-Green methods from the measured concentration profiles of binary and ternary diffusion couples, respectively. Based on the diffusion coefficients reported in the literature and those determined in the present work, the diffusion mobilities for fcc Ni-Co-Al alloys were assessed. In general, reasonable agreements were reached and the resulted mobility database can be used to study the diffusion behavior of the ternary fcc Ni-Co-Al alloys in a wide composition range.

  8. Techniques for optically compressing light intensity ranges

    DOEpatents

    Rushford, M.C.

    1989-03-28

    A pin hole camera assembly for use in viewing an object having a relatively large light intensity range, for example a crucible containing molten uranium in an atomic vapor laser isotope separator (AVLIS) system is disclosed herein. The assembly includes means for optically compressing the light intensity range appearing at its input sufficient to make it receivable and decipherable by a standard video camera. A number of different means for compressing the intensity range are disclosed. These include the use of photogray glass, the use of a pair of interference filters, and the utilization of a new liquid crystal notch filter in combination with an interference filter. 18 figs.

  9. Techniques for optically compressing light intensity ranges

    DOEpatents

    Rushford, Michael C.

    1989-01-01

    A pin hole camera assembly for use in viewing an object having a relatively large light intensity range, for example a crucible containing molten uranium in an atomic vapor laser isotope separator (AVLIS) system is disclosed herein. The assembly includes means for optically compressing the light intensity range appearing at its input sufficient to make it receivable and decipherable by a standard video camera. A number of different means for compressing the intensity range are disclosed. These include the use of photogray glass, the use of a pair of interference filters, and the utilization of a new liquid crystal notch filter in combination with an interference filter.

  10. Progress towards next generation hadron colliders: FCC-hh, HE-LHC, and SPPC

    NASA Astrophysics Data System (ADS)

    Zimmermann, Frank; EuCARD-2 Extreme Beams Collaboration; Future Circular Collider (FCC) Study Collaboration

    2017-01-01

    A higher-energy circular proton collider is generally considered to be the only path available in this century for exploring energy scales well beyond the reach of the Large Hadron Collider (LHC) presently in operation at CERN. In response to the 2013 Update of the European Strategy for Particle Physics and aligned with the 2014 US ``P5'' recommendations, the international Future Circular Collider (FCC) study, hosted by CERN, is designing such future frontier hadron collider. This so-called FCC-hh will provide proton-proton collisions at a centre-of-mass energy of 100 TeV, with unprecedented luminosity. The FCC-hh energy goal is reached by combining higher-field, 16 T magnets, based on Nb3Sn superconductor, and a new 100 km tunnel connected to the LHC complex. In addition to the FCC-hh proper, the FCC study is also exploring the possibility of a High-Energy LHC (HE-LHC), with a centre-of-mass energy of 25-27 TeV, as could be achieved in the existing 27 km LHC tunnel using the FCC-hh magnet technology. A separate design effort centred at IHEP Beijing aims at developing and constructing a similar collider in China, with a smaller circumference of about 54 km, called SPPC. Assuming even higher-field 20 T magnets, by relying on high-temperature superconductor, the SPPC could reach a c.m. energy of about 70 TeV. This presentation will report the motivation and the present status of the R&D for future hadron colliders, a comparison of the three designs under consideration, the major challenges, R&D topics, the international technology programs, and the emerging global collaboration. Work supported by the European Commission under Capacities 7th Framework Programme project EuCARD-2, Grant Agreement 312453, and the HORIZON 2020 project EuroCirCol, Grant Agreement 654305.

  11. Transition-sized Au92 nanoparticle bridging non-fcc-structured gold nanoclusters and fcc-structured gold nanocrystals.

    PubMed

    Liao, Lingwen; Chen, Jishi; Wang, Chengming; Zhuang, Shengli; Yan, Nan; Yao, Chuanhao; Xia, Nan; Li, Lingling; Bao, Xiaoli; Wu, Zhikun

    2016-10-04

    Herein, we report the intriguing structure, optical absorption and electrochemical properties of the transition-sized Au92(TBBT)44 (Au92 for short, TBBT = 4-tert-butylbenzenethiolate) nanoparticle. An interesting observation is the 4H phase array of Au92 nanoparticles in the unit cells of single crystals.

  12. Observation of the fcc-to-hcp transition in ensembles of argon nanoclusters.

    PubMed

    Krainyukova, N V; Boltnev, R E; Bernard, E P; Khmelenko, V V; Lee, D M; Kiryukhin, V

    2012-12-14

    Macroscopic ensembles of weakly interacting argon nanoclusters are studied using x-ray diffraction in low vacuum. As the clusters grow by fusion with increasing temperature, their structure transforms from essentially face-centered cubic (fcc) to hexagonal close packed as the cluster size approaches ~10(5) atoms. The transformation involves intermediate orthorhombic phases. These data confirm extant theoretical predictions. They also indicate that growth kinetics and spatial constraints might play an important role in the formation of the fcc structure of bulk rare-gas solids, which still remains puzzling.

  13. Beam-beam and electron cloud effects in CEPC/FCC-ee

    NASA Astrophysics Data System (ADS)

    Ohmi, Kazuhito

    2016-11-01

    We discuss beam dynamics issues in CEPC/FCC-ee, especially focusing on the beam-beam and electron cloud effects. Beamstrahlung is strong in extreme high energy collision such as Higgs and top factory. Beam-beam simulations considering beamstrahlung are now ready. Several points of beam-beam effects for FCC-ee are presented. Electron cloud effects are serious for high current positron machine, especially in Z factory that many bunches are stored. Analytical estimate for threshold of electron density and electron build-up for CEPC are presented.

  14. Micromagnetic simulations of interacting dipoles on an fcc lattice: application to nanoparticle assemblies.

    PubMed

    Plumer, M L; van Lierop, J; Southern, B W; Whitehead, J P

    2010-07-28

    Micromagnetic simulations are used to examine the effects of cubic and axial anisotropy, magnetostatic interactions and temperature on M-H loops for a collection of magnetic dipoles on fcc and sc lattices. We employ a simple model of interacting dipoles that represent single-domain particles in an attempt to explain recent experimental data on ordered arrays of magnetoferritin nanoparticles that demonstrate the crucial role of interactions between particles in an fcc lattice. Significant agreement between the simulation and experimental results is achieved, and the impact of intra-particle degrees of freedom and surface effects on thermal fluctuations is investigated.

  15. Molecular dynamics study of melting and fcc-bcc transitions in Xe.

    PubMed

    Belonoshko, A B; Ahuja, R; Johansson, B

    2001-10-15

    We have investigated the phase diagram of Xe over a wide pressure-temperature range by molecular dynamics. The calculated melting curve is in good agreement with earlier experimental data. At a pressure of around 25 GPa and a temperature of about 2700 K we find a triple fcc-bcc liquid point. The calculated fcc-bcc boundary is in nice agreement with the experimental points, which, however, were interpreted as melting. This finding suggests that the transition from close-packed to bcc structure might be more common at high pressure and high temperature than was previously anticipated.

  16. Magnetic phases of fcc Fe films in the 5{endash}11 monolayer thickness range

    SciTech Connect

    Escorcia-Aparicio, E.J.; Choi, H.J.; Kawakami, R.K.; Qiu, Z.Q.

    1998-07-01

    Using the methods of artificial roughening and interfacial doping, we investigated the effects of film roughness and interdiffusion on the formation of the magnetic phase of the fcc Fe film in the Fe/Co/Cu(100) system. We found that it is the degree of film roughness that determines the magnetic phase of the fcc Fe film in the 5{endash}11 monolayer thickness range, and that the interdiffusion plays no appreciable role in the formation of the magnetic phase. {copyright} {ital 1998} {ital The American Physical Society}

  17. 47 CFR 95.219 - (R/C Rule 19) How do I answer correspondence from the FCC?

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 5 2011-10-01 2011-10-01 false (R/C Rule 19) How do I answer correspondence from the FCC? 95.219 Section 95.219 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED... You Need to Know § 95.219 (R/C Rule 19) How do I answer correspondence from the FCC? (a) If it...

  18. 47 CFR 95.219 - (R/C Rule 19) How do I answer correspondence from the FCC?

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false (R/C Rule 19) How do I answer correspondence from the FCC? 95.219 Section 95.219 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED... You Need to Know § 95.219 (R/C Rule 19) How do I answer correspondence from the FCC? (a) If it...

  19. 47 CFR 95.219 - (R/C Rule 19) How do I answer correspondence from the FCC?

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 5 2012-10-01 2012-10-01 false (R/C Rule 19) How do I answer correspondence from the FCC? 95.219 Section 95.219 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED... You Need to Know § 95.219 (R/C Rule 19) How do I answer correspondence from the FCC? (a) If it...

  20. 47 CFR 95.219 - (R/C Rule 19) How do I answer correspondence from the FCC?

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 5 2013-10-01 2013-10-01 false (R/C Rule 19) How do I answer correspondence from the FCC? 95.219 Section 95.219 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED... You Need to Know § 95.219 (R/C Rule 19) How do I answer correspondence from the FCC? (a) If it...

  1. 47 CFR 95.219 - (R/C Rule 19) How do I answer correspondence from the FCC?

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 5 2014-10-01 2014-10-01 false (R/C Rule 19) How do I answer correspondence from the FCC? 95.219 Section 95.219 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED... You Need to Know § 95.219 (R/C Rule 19) How do I answer correspondence from the FCC? (a) If it...

  2. Two-stage crystallization of charged colloids under low supersaturation conditions.

    PubMed

    Kratzer, Kai; Arnold, Axel

    2015-03-21

    We report simulations on the homogeneous liquid-fcc nucleation of charged colloids for both low and high contact energy values. As a precursor for crystal formation, we observe increased local order at the position where the crystal will form, but no correlations with the local density. Thus, the nucleation is driven by order fluctuations rather than density fluctuations. Our results also show that the transition involves two stages in both cases, first a transition of liquid → bcc, followed by a bcc → hcp/fcc transition. Both transitions have to overcome free energy barriers, so that a spherical bcc-like cluster is formed first, in which the final fcc structure is nucleated mainly at the surface of the crystallite. This means that the second stage bcc-fcc phase transition is a heterogeneous nucleation in the partially grown solid phase, even though we start from a homogeneous bulk liquid. The height of the bcc → hcp/fcc free energy barrier strongly depends on the contact energies of the colloids. For low contact energy this barrier is low, so that the bcc → hcp/fcc transition occurs spontaneously. For the higher contact energy, the second barrier is too high to be crossed spontaneously by the colloidal system. However, it was possible to ratchet the system over the second barrier and to transform the bcc nuclei into the stable hcp/fcc phase. The transitions are dominated by the first liquid-bcc transition and can be described by classical nucleation theory using an effective surface tension.

  3. Parallel image compression

    NASA Technical Reports Server (NTRS)

    Reif, John H.

    1987-01-01

    A parallel compression algorithm for the 16,384 processor MPP machine was developed. The serial version of the algorithm can be viewed as a combination of on-line dynamic lossless test compression techniques (which employ simple learning strategies) and vector quantization. These concepts are described. How these concepts are combined to form a new strategy for performing dynamic on-line lossy compression is discussed. Finally, the implementation of this algorithm in a massively parallel fashion on the MPP is discussed.

  4. Crystallization and reentrant melting of charged colloids in nonpolar solvents.

    PubMed

    Kanai, Toshimitsu; Boon, Niels; Lu, Peter J; Sloutskin, Eli; Schofield, Andrew B; Smallenburg, Frank; van Roij, René; Dijkstra, Marjolein; Weitz, David A

    2015-03-01

    We explore the crystallization of charged colloidal particles in a nonpolar solvent mixture. We simultaneously charge the particles and add counterions to the solution with aerosol-OT (AOT) reverse micelles. At low AOT concentrations, the charged particles crystallize into body-centered-cubic (bcc) or face-centered-cubic (fcc) Wigner crystals; at high AOT concentrations, the increased screening drives a thus far unobserved reentrant melting transition. We observe an unexpected scaling of the data with particle size, and account for all behavior with a model that quantitatively predicts both the reentrant melting and the data collapse.

  5. HYDRODYNAMIC COMPRESSIVE FORGING.

    DTIC Science & Technology

    HYDRODYNAMICS), (*FORGING, COMPRESSIVE PROPERTIES, LUBRICANTS, PERFORMANCE(ENGINEERING), DIES, TENSILE PROPERTIES, MOLYBDENUM ALLOYS , STRAIN...MECHANICS), BERYLLIUM ALLOYS , NICKEL ALLOYS , CASTING ALLOYS , PRESSURE, FAILURE(MECHANICS).

  6. Elastic constants of random solid solutions by SQS and CPA approaches: the case of fcc Ti-Al.

    PubMed

    Tian, Li-Yun; Hu, Qing-Miao; Yang, Rui; Zhao, Jijun; Johansson, Börje; Vitos, Levente

    2015-08-12

    Special quasi-random structure (SQS) and coherent potential approximation (CPA) are techniques widely employed in the first-principles calculations of random alloys. Here we scrutinize these approaches by focusing on the local lattice distortion (LLD) and the crystal symmetry effects. We compare the elastic parameters obtained from SQS and CPA calculations, taking the random face-centered cubic (fcc) Ti(1-x)Al(x) (0 ≤ x ≤ 1) alloy as an example of systems with components showing different electronic structures and bonding characteristics. For the CPA and SQS calculations, we employ the Exact Muffin-Tin Orbitals (EMTO) method and the pseudopotential method as implemented in the Vienna Ab initio Simulation Package (VASP), respectively. We show that the predicted trends of the VASP-SQS and EMTO-CPA parameters against composition are in good agreement with each other. The energy associated with the LLD increases with x up to x = 0.625 ~ 0.750 and drops drastically thereafter. The influence of the LLD on the lattice constants and C12 elastic constant is negligible. C11 and C44 decrease after atomic relaxation for alloys with large LLD, however, the trends of C11 and C44 are not significantly affected. In general, the uncertainties in the elastic parameters associated with the symmetry lowering turn out to be superior to the differences between the two techniques including the effect of LLD.

  7. Interface effect of magnetic properties in Ni nanoparticles with a hcp core and fcc shell structure.

    PubMed

    Choo, Seongmin; Lee, Kyujoon; Jo, Younghun; Yoon, Seon-Mi; Choi, Jae-Young; Kim, Jea-Young; Park, Jea-Hoon; Lee, Kyung-Jin; Lee, Jong-Heun; Jung, Myung-Hwa

    2011-07-01

    We have fabricated hexagonal close-packed (hcp) Ni nanoparticles covered by a face-centered cubic (fcc) Ni surface layer by polyol method. The magnetic properties have been investigated as a function of temperature and applied magnetic field. The magnetic behavior reveals that the system should be divided magnetically into three distinct phases with different origins. The fcc Ni phase on the shell contributes to the superparamagnetism through a wide temperature range up to 360 K. The hcp Ni phase at the core is associated with antiferromagnetic nature below 12 K. These observations are in good agreement with the X-ray absorption spectroscopy and magnetic circular dichroism measurements. In our particular case, the unique hcp core and fcc shell structure gives rise to an additional anomaly at 20 K in the zero-field-cooled magnetization curve. Its position is barely affected by the magnetic field but its structure disappears above 30 kOe, showing a metamagnetic transition in the magnetization versus magnetic field curve. This new phase originates from the magnetic exchange at the interface between the hcp and fcc Ni sublattices.

  8. Double Higgs production at FCC-he and prospects for measurements of self-coupling

    NASA Astrophysics Data System (ADS)

    Kumar, Mukesh; Ruan, Xifeng; Cornell, Alan S.; Islam, Rashidul; Mellado, Bruce

    2015-06-01

    The measurement of the triple Higgs boson coupling is one of the most important goals of the Higgs physics program in present and future collider experiments. This would provide the first direct information on the Higgs potential, which is responsible for electroweak symmetry breaking mechanism. We present a double Higgs production scenario at the Large Hadron-Electron Collider (LHeC) and Future Circular Hadron-Electron Collider (FCC- he) through e-p collisions, which will provide information about trilinear coupling and the possibility of probing new physics, if there is any. The LHeC will provide e- beams to collide head-on with proton beams of 7 TeV from the Large Hadron Collider (LHC). The prospect of replacing the LHC with the high energy FCC, with proton beams of 50 TeV, is used for FCC-he studies. Energy of the e- is taken to be 60 GeV for both LHeC and FCC-he. Effects of non-standard CP-even and CP-odd couplings for hhh, hWW and hhWW have been studied and constrained at a 95% C.L.

  9. Nitrogen Chemistry and Coke Transformation of FCC Coked Catalyst during the Regeneration Process

    PubMed Central

    Shi, Junjun; Guan, Jianyu; Guo, Dawei; Zhang, Jiushun; France, Liam John; Wang, Lefu; Li, Xuehui

    2016-01-01

    Regeneration of the coked catalyst is an important process of fluid catalytic cracking (FCC) in petroleum refining, however, this process will emit environmentally harmful gases such as nitrogen and carbon oxides. Transformation of N and C containing compounds in industrial FCC coke under thermal decomposition was investigated via TPD and TPO to examine the evolved gaseous species and TGA, NMR and XPS to analyse the residual coke fraction. Two distinct regions of gas evolution are observed during TPD for the first time, and they arise from decomposition of aliphatic carbons and aromatic carbons. Three types of N species, pyrrolic N, pyridinic N and quaternary N are identified in the FCC coke, the former one is unstable and tends to be decomposed into pyridinic and quaternary N. Mechanisms of NO, CO and CO2 evolution during TPD are proposed and lattice oxygen is suggested to be an important oxygen resource. Regeneration process indicates that coke-C tends to preferentially oxidise compared with coke-N. Hence, new technology for promoting nitrogen-containing compounds conversion will benefit the in-situ reduction of NO by CO during FCC regeneration. PMID:27270486

  10. Nitrogen Chemistry and Coke Transformation of FCC Coked Catalyst during the Regeneration Process

    NASA Astrophysics Data System (ADS)

    Shi, Junjun; Guan, Jianyu; Guo, Dawei; Zhang, Jiushun; France, Liam John; Wang, Lefu; Li, Xuehui

    2016-06-01

    Regeneration of the coked catalyst is an important process of fluid catalytic cracking (FCC) in petroleum refining, however, this process will emit environmentally harmful gases such as nitrogen and carbon oxides. Transformation of N and C containing compounds in industrial FCC coke under thermal decomposition was investigated via TPD and TPO to examine the evolved gaseous species and TGA, NMR and XPS to analyse the residual coke fraction. Two distinct regions of gas evolution are observed during TPD for the first time, and they arise from decomposition of aliphatic carbons and aromatic carbons. Three types of N species, pyrrolic N, pyridinic N and quaternary N are identified in the FCC coke, the former one is unstable and tends to be decomposed into pyridinic and quaternary N. Mechanisms of NO, CO and CO2 evolution during TPD are proposed and lattice oxygen is suggested to be an important oxygen resource. Regeneration process indicates that coke-C tends to preferentially oxidise compared with coke-N. Hence, new technology for promoting nitrogen-containing compounds conversion will benefit the in-situ reduction of NO by CO during FCC regeneration.

  11. 47 CFR 11.21 - State and Local Area plans and FCC Mapbook.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... must be followed by EAS Participants' personnel, emergency officials, and National Weather Service (NWS... are consistent with national plans, FCC regulations, and EAS operation. (a) The State plan contains... transmitted to all EAS Participants who provide services in the state, and must include specific and...

  12. 47 CFR 11.21 - State and Local Area plans and FCC Mapbook.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... must be followed by EAS Participants' personnel, emergency officials, and National Weather Service (NWS... are consistent with national plans, FCC regulations, and EAS operation. (a) The State plan contains... transmitted to all EAS Participants who provide services in the state, and must include specific and...

  13. 47 CFR 95.225 - (R/C Rule 25) How do I contact the FCC?

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false (R/C Rule 25) How do I contact the FCC? 95.225 Section 95.225 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES PERSONAL RADIO SERVICES Radio Control (R/C) Radio Service Other Things You Need to Know §...

  14. 47 CFR 95.428 - (CB Rule 28) How do I contact the FCC?

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false (CB Rule 28) How do I contact the FCC? 95.428 Section 95.428 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES PERSONAL RADIO SERVICES Citizens Band (CB) Radio Service Other Things You Need to Know §...

  15. 47 CFR 95.225 - (R/C Rule 25) How do I contact the FCC?

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 5 2011-10-01 2011-10-01 false (R/C Rule 25) How do I contact the FCC? 95.225 Section 95.225 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES PERSONAL RADIO SERVICES Radio Control (R/C) Radio Service Other Things You Need to Know §...

  16. 47 CFR 95.428 - (CB Rule 28) How do I contact the FCC?

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 5 2011-10-01 2011-10-01 false (CB Rule 28) How do I contact the FCC? 95.428 Section 95.428 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) SAFETY AND SPECIAL RADIO SERVICES PERSONAL RADIO SERVICES Citizens Band (CB) Radio Service Other Things You Need to Know §...

  17. Broadcast Access and Reply Rights for Politicians and PACs: A Continuing Headache for the FCC.

    ERIC Educational Resources Information Center

    Gentry, Richard H.

    The major policy issues raised by Federal Communications Commission (FCC) regulations with regard to the year-round nature of political media campaigns and the emergence of political action committees (PACs) are explored in this paper. The first part of the paper introduces the major policy issues, specifically who should have an affirmative right…

  18. Phonons transmission by thin films sandwiched between two similar fcc structures

    NASA Astrophysics Data System (ADS)

    Belkacemi, Ghania; Bourahla, Boualem

    2015-09-01

    An analytical and numerical formalism are developed to study the influence of the sandwiched atomic films on the vibration properties and phonon transmission modes in fcc waveguides. The model system consists of two identical semi-infinite fcc leads joined by ultrathin atomic films in between. The matching technique is applied to calculate the local Green's functions for the irreducible set of sites that constitute the inhomogeneous domain. Numerical results are presented for the reflection/transmission, total phonon transmittance and localized vibration states in considered fcc lattices. The results show that vibrational properties of the sandwich materials are strongly dependent on the scattering frequency, the thickness of the insured films, incidence angles and elastic boundary conditions. We note that some of the fluctuations, observed in the vibration spectra, are related to Fano resonances, they are due to the coherent coupling between travelling phonons and the localized vibration modes in the neighborhood of the nanojunction domains. The number of localized modes which interact with the propagating modes of the continuum is proportional to the number of the sandwiched Slabs in the interfacial zone. The results give also the effect of the sandwiched ultrathin films on elastic waves propagation by atomic interfaces in fcc lattices.

  19. Government Ownership Restrictions and Efficiency: The Case of the FCC's Dupoply Rule.

    ERIC Educational Resources Information Center

    Anderson, Keith B.; Woodbury, John R.

    Recently the Federal Communications Commission (FCC) has been considering modifications to its regulations governing local and national media ownership and has indicated more interest in the efficiency consequences of the regulations, including those that might arise from common ownership of multiple radio stations. This paper seeks to determine…

  20. Nitrogen Chemistry and Coke Transformation of FCC Coked Catalyst during the Regeneration Process.

    PubMed

    Shi, Junjun; Guan, Jianyu; Guo, Dawei; Zhang, Jiushun; France, Liam John; Wang, Lefu; Li, Xuehui

    2016-06-08

    Regeneration of the coked catalyst is an important process of fluid catalytic cracking (FCC) in petroleum refining, however, this process will emit environmentally harmful gases such as nitrogen and carbon oxides. Transformation of N and C containing compounds in industrial FCC coke under thermal decomposition was investigated via TPD and TPO to examine the evolved gaseous species and TGA, NMR and XPS to analyse the residual coke fraction. Two distinct regions of gas evolution are observed during TPD for the first time, and they arise from decomposition of aliphatic carbons and aromatic carbons. Three types of N species, pyrrolic N, pyridinic N and quaternary N are identified in the FCC coke, the former one is unstable and tends to be decomposed into pyridinic and quaternary N. Mechanisms of NO, CO and CO2 evolution during TPD are proposed and lattice oxygen is suggested to be an important oxygen resource. Regeneration process indicates that coke-C tends to preferentially oxidise compared with coke-N. Hence, new technology for promoting nitrogen-containing compounds conversion will benefit the in-situ reduction of NO by CO during FCC regeneration.

  1. 76 FR 6473 - Sunshine Act; FCC To Hold Open Commission Meeting Tuesday, February 8, 2011

    Federal Register 2010, 2011, 2012, 2013, 2014

    2011-02-04

    ... COMMISSION Sunshine Act; FCC To Hold Open Commission Meeting Tuesday, February 8, 2011 February 1, 2011. The Federal Communications Commission will hold an Open Meeting on the subject listed below on Tuesday..., initiated as part of the Commission's Data Innovation Initiative, to streamline and modernize the...

  2. 75 FR 34450 - FCC to Hold Open Commission Meeting Thursday, June 17, 2010

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-06-17

    ... COMMISSION FCC to Hold Open Commission Meeting Thursday, June 17, 2010 DATES: June 10, 2010. The Federal Communications Commission will hold an Open Meeting on the subject listed below on Thursday, June 17, 2010, which... consideration at the open meeting on June 17. BUREAU SUBJECT OFFICE OF THE TITLE: Framework GENERAL COUNSEL....

  3. Special Report: FCC Program Offers Schools and Libraries Steep Telecommunications Discounts.

    ERIC Educational Resources Information Center

    Crowe, Thomas K.

    1998-01-01

    In the Telecommunications Act of 1996, Congress directed the Federal Communications Commission (FCC) to establish the Universal Service program to provide financial support for communications services for all K-12 schools/libraries. A Washington telecommunications attorney discusses eligible services and the application process, and offers tips…

  4. 47 CFR 2.956 - FCC inspection and submission of equipment for testing.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 1 2011-10-01 2011-10-01 false FCC inspection and submission of equipment for testing. 2.956 Section 2.956 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization...

  5. 47 CFR 2.1076 - FCC inspection and submission of equipment for testing.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 1 2013-10-01 2013-10-01 false FCC inspection and submission of equipment for testing. 2.1076 Section 2.1076 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization...

  6. 47 CFR 2.1076 - FCC inspection and submission of equipment for testing.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 1 2010-10-01 2010-10-01 false FCC inspection and submission of equipment for testing. 2.1076 Section 2.1076 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization...

  7. 47 CFR 2.1076 - FCC inspection and submission of equipment for testing.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 1 2011-10-01 2011-10-01 false FCC inspection and submission of equipment for testing. 2.1076 Section 2.1076 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization...

  8. 47 CFR 2.956 - FCC inspection and submission of equipment for testing.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 1 2014-10-01 2014-10-01 false FCC inspection and submission of equipment for testing. 2.956 Section 2.956 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization...

  9. 47 CFR 2.956 - FCC inspection and submission of equipment for testing.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 1 2012-10-01 2012-10-01 false FCC inspection and submission of equipment for testing. 2.956 Section 2.956 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization...

  10. 47 CFR 2.956 - FCC inspection and submission of equipment for testing.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 1 2013-10-01 2013-10-01 false FCC inspection and submission of equipment for testing. 2.956 Section 2.956 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization...

  11. 47 CFR 2.1076 - FCC inspection and submission of equipment for testing.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 1 2012-10-01 2012-10-01 false FCC inspection and submission of equipment for testing. 2.1076 Section 2.1076 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization...

  12. 47 CFR 2.956 - FCC inspection and submission of equipment for testing.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 1 2010-10-01 2010-10-01 false FCC inspection and submission of equipment for testing. 2.956 Section 2.956 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL FREQUENCY ALLOCATIONS AND RADIO TREATY MATTERS; GENERAL RULES AND REGULATIONS Equipment Authorization...

  13. Letter of Complaint to the FCC Against the Columbia Broadcasting System.

    ERIC Educational Resources Information Center

    Council on Children, Media, and Merchandising, Washington, DC.

    The Council on Children, Media, and Merchandising, in a letter to the Federal Communication Commission (FCC), issued a formal complaint against the Columbia Broadcasting System (CBS). The Council charges that CBS has failed to meet its public interest obligations, as well as its obligations under the fairness doctrine, with respect to advertising…

  14. Chromium removal by zeolite-rich materials obtained from an exhausted FCC catalyst: Influence of chromium incorporation on the sorbent structure.

    PubMed

    Gonzalez, Maximiliano R; Pereyra, Andrea M; Torres Sánchez, Rosa M; Basaldella, Elena I

    2013-10-15

    A spent FCC catalyst was converted into a zeolitic mixture, and the product obtained was afterward used as trapping material for Cr(III) species frequently found in aqueous solutions. Eventual changes in the sorbent structure produced by Cr incorporation were studied by different characterization techniques such as point of zero charge determinations (PZC), X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray analysis (EDX), and infrared absorption (FTIR). The XRD and FTIR analyses indicated that chromium incorporation produces an amorphization of the material, and PZC measurements show no surface adsorption of charged chromium species. SEM and EDX analyses clearly show that after chromium sorption, the initial microspheroidal catalyst morphology was maintained, and the presence of chromium species was mainly detected in the outer microsphere surface, where the zeolite crystals were hydrothermally grown.

  15. Principal spectra describing magnetooptic permittivity tensor in cubic crystals

    NASA Astrophysics Data System (ADS)

    Hamrlová, Jana; Legut, Dominik; Veis, Martin; Pištora, Jaromír; Hamrle, Jaroslav

    2016-12-01

    We provide unified phenomenological description of magnetooptic effects being linear and quadratic in magnetization. The description is based on few principal spectra, describing elements of permittivity tensor up to the second order in magnetization. Each permittivity tensor element for any magnetization direction and any sample surface orientation is simply determined by weighted summation of the principal spectra, where weights are given by crystallographic and magnetization orientations. The number of principal spectra depends on the symmetry of the crystal. In cubic crystals owning point symmetry we need only four principal spectra. Here, the principal spectra are expressed by ab initio calculations for bcc Fe, fcc Co and fcc Ni in optical range as well as in hard and soft x-ray energy range, i.e. at the 2p- and 3p-edges. We also express principal spectra analytically using modified Kubo formula.

  16. Electronic structure of polymeric KC 60 - a crystal orbital analysis

    NASA Astrophysics Data System (ADS)

    Schulte, Joachim; Böhm, Michael C.

    1996-04-01

    The band structure of orthorhombic KC 60 is investigated by a crystal approach based on an intermediate neglect of differential orbital Hamiltonian. The title compound crystallizes in the space group Pnnm with covalent intermolecular carboncarbon bonds. Polymeric KC 60 is a metal with a low electronic density of states (DOS) at the Fermi energy ɛF. This metallic behaviour differs from the electronic ground state calculated for isotropic fcc KC 60 with potassium occupying the octahedral intersitial site. The reduced width of the conduction band in the fcc structure favours an insulating Mott state relative to the metallic configuration. The dimensionality of the title compound is discussed on the basis of intercell energies, the DOS profile and dispersion curves. The theoretical results are compared with experimental observations. Wiberg bond-indices are employed to describe the chemical bonding within the distorted C 60 soccerball.

  17. 26. Central compression lock, north span facing north. Compression lock ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    26. Central compression lock, north span facing north. Compression lock locks two spans together at highest point. There are three compression locks. - Henry Ford Bridge, Spanning Cerritos Channel, Los Angeles-Long Beach Harbor, Los Angeles, Los Angeles County, CA

  18. Fractal image compression

    NASA Technical Reports Server (NTRS)

    Barnsley, Michael F.; Sloan, Alan D.

    1989-01-01

    Fractals are geometric or data structures which do not simplify under magnification. Fractal Image Compression is a technique which associates a fractal to an image. On the one hand, the fractal can be described in terms of a few succinct rules, while on the other, the fractal contains much or all of the image information. Since the rules are described with less bits of data than the image, compression results. Data compression with fractals is an approach to reach high compression ratios for large data streams related to images. The high compression ratios are attained at a cost of large amounts of computation. Both lossless and lossy modes are supported by the technique. The technique is stable in that small errors in codes lead to small errors in image data. Applications to the NASA mission are discussed.

  19. An analytical model for porous single crystals with ellipsoidal voids

    NASA Astrophysics Data System (ADS)

    Mbiakop, A.; Constantinescu, A.; Danas, K.

    2015-11-01

    A rate-(in)dependent constitutive model for porous single crystals with arbitrary crystal anisotropy (e.g., FCC, BCC, HCP, etc.) containing general ellipsoidal voids is developed. The proposed model, denoted as modified variational model (MVAR), is based on the nonlinear variational homogenization method, which makes use of a linear comparison porous material to estimate the response of the nonlinear porous single crystal. Periodic multi-void finite element simulations are used in order to validate the MVAR for a large number of parameters including cubic (FCC, BCC) and hexagonal (HCP) crystal anisotropy, various creep exponents (i.e., nonlinearity), several stress triaxiality ratios, general void shapes and orientations and various porosity levels. The MVAR model, which involves a priori no calibration parameters, is found to be in good agreement with the finite element results for all cases considered in the rate-dependent context. The model is then used in a predictive manner to investigate the complex response of porous single crystals in several cases with strong coupling between the anisotropy of the crystal and the (morphological) anisotropy induced by the shape and orientation of the voids. Finally, a simple way of calibrating the MVAR with just two adjustable parameters is depicted in the rate-independent context so that an excellent agreement with the FE simulation results is obtained. In this last case, this proposed model can be thought as a generalization of the Gurson model in the context of porous single crystals and general ellipsoidal void shapes and orientations.

  20. Stability of orientationally disordered crystal structures of colloidal hard dumbbells.

    PubMed

    Marechal, Matthieu; Dijkstra, Marjolein

    2008-06-01

    We study the stability of orientationally disordered crystal phases in a suspension of colloidal hard dumbbells using Monte Carlo simulations. For dumbbell bond length L/sigma<0.4 with L the separation of the two spheres of the dumbbell and sigma the diameter of the spheres, we determine the difference in Helmholtz free energy of a plastic crystal with a hexagonal-close-packed (hcp) and a face-centered-cubic (fcc) structure using thermodynamic integration and the lattice-switch Monte Carlo method. We find that the plastic crystal with the hcp structure is more stable than the one with the fcc structure for a large part of the stable plastic crystal regime. In addition, we study the stability of an orientationally disordered aperiodic crystal structure in which the spheres of the dumbbells are on a random-hexagonal-close-packed lattice, and the dumbbells are formed by taking random pairs of neighboring spheres. Using free-energy calculations, we determine the fluid-aperiodic crystal and periodic-aperiodic crystal coexistence regions for L/sigma>0.88 .

  1. Micromechanical strength effects in shock compression of solids

    SciTech Connect

    Johnson, J.N.

    1993-06-01

    Time-resolved shock-wave measurements and post-shock recovery have long been used for inferring the underlaying micromechanics controlling high-rate deformation of solids; this requires considerable subjective interpretation. In spite of this, progress has been made in experimentation and theoretical interpretation of the shock-compression/release cycle and some of the results are reviewed here for weak shocks. This cycle involves the elements of the elastic precursor, plastic loading wave, pulse duration, release wave, and post-mortem examination. Those topics are examined, with emphasis on the second and fourth elements. Cu and Ta results show how shock data can be used to determine the transition from deformation mechanism of thermal activation to that of dislocation drag. Release-wave studies indicate that the leading observable release disturbance in fcc metals may not be propagating with the ideal longitudinal elastic-wave speed. 5 figs, 18 refs.

  2. Micromechanical strength effects in shock compression of solids

    SciTech Connect

    Johnson, J.N.

    1993-01-01

    Time-resolved shock-wave measurements and post-shock recovery have long been used for inferring the underlaying micromechanics controlling high-rate deformation of solids; this requires considerable subjective interpretation. In spite of this, progress has been made in experimentation and theoretical interpretation of the shock-compression/release cycle and some of the results are reviewed here for weak shocks. This cycle involves the elements of the elastic precursor, plastic loading wave, pulse duration, release wave, and post-mortem examination. Those topics are examined, with emphasis on the second and fourth elements. Cu and Ta results show how shock data can be used to determine the transition from deformation mechanism of thermal activation to that of dislocation drag. Release-wave studies indicate that the leading observable release disturbance in fcc metals may not be propagating with the ideal longitudinal elastic-wave speed. 5 figs, 18 refs.

  3. Modelling of Surfaces. Part 1: Monatomic Metallic Surfaces Using Equivalent Crystal Theory

    NASA Technical Reports Server (NTRS)

    Bozzolo, Guillermo; Ferrante, John; Rodriguez, Agustin M.

    1994-01-01

    We present a detailed description of equivalent crystal theory focusing on its application to the study of surface structure. While the emphasis is in the structure of the algorithm and its computational aspects, we also present a comprehensive discussion on the calculation of surface energies of metallic systems with equivalent crystal theory and other approaches. Our results are compared to experiment and other semiempirical as well as first-principles calculations for a variety of fcc and bcc metals.

  4. Vascular compression syndromes.

    PubMed

    Czihal, Michael; Banafsche, Ramin; Hoffmann, Ulrich; Koeppel, Thomas

    2015-11-01

    Dealing with vascular compression syndromes is one of the most challenging tasks in Vascular Medicine practice. This heterogeneous group of disorders is characterised by external compression of primarily healthy arteries and/or veins as well as accompanying nerval structures, carrying the risk of subsequent structural vessel wall and nerve damage. Vascular compression syndromes may severely impair health-related quality of life in affected individuals who are typically young and otherwise healthy. The diagnostic approach has not been standardised for any of the vascular compression syndromes. Moreover, some degree of positional external compression of blood vessels such as the subclavian and popliteal vessels or the celiac trunk can be found in a significant proportion of healthy individuals. This implies important difficulties in differentiating physiological from pathological findings of clinical examination and diagnostic imaging with provocative manoeuvres. The level of evidence on which treatment decisions regarding surgical decompression with or without revascularisation can be relied on is generally poor, mostly coming from retrospective single centre studies. Proper patient selection is critical in order to avoid overtreatment in patients without a clear association between vascular compression and clinical symptoms. With a focus on the thoracic outlet-syndrome, the median arcuate ligament syndrome and the popliteal entrapment syndrome, the present article gives a selective literature review on compression syndromes from an interdisciplinary vascular point of view.

  5. Dental Compressed Air Systems.

    DTIC Science & Technology

    1992-03-01

    I AL-TR-IWI-0uuu AD-A249 954 DENTAL COMPRESSED AIMYTM R Curtis D. Weyrmuch, Mejor, USAP, D Samuel P.Dvs iueatclpi SF.O N AEROSPACE MwaEDIN mwr~ComA G...FUNDING NUMBERS Dental Compressed Air Systems PE - 87714F PR - 7350 TA - 22 D. Weyrauch WU - XX Samuel P. Davis George W. Gaines 7. PERFORMING...words) The purpose of this report is to update guidelines on dental compressed air systems (DCA). Much of the information was obtained from a survey

  6. Modeling Compressed Turbulence

    SciTech Connect

    Israel, Daniel M.

    2012-07-13

    From ICE to ICF, the effect of mean compression or expansion is important for predicting the state of the turbulence. When developing combustion models, we would like to know the mix state of the reacting species. This involves density and concentration fluctuations. To date, research has focused on the effect of compression on the turbulent kinetic energy. The current work provides constraints to help development and calibration for models of species mixing effects in compressed turbulence. The Cambon, et al., re-scaling has been extended to buoyancy driven turbulence, including the fluctuating density, concentration, and temperature equations. The new scalings give us helpful constraints for developing and validating RANS turbulence models.

  7. The interstitialcy diffusion in FCC copper: A molecular dynamics study

    SciTech Connect

    Bukkuru, S. Rao, A. D. P.; Warrier, M.

    2015-06-24

    Damage of materials due to neutron irradiation occurs via energetic cascades caused by energetic primary knock-on atoms (PKA) created by the energetic neutron as it passes through the material. These cascades result in creation of Frenkel Pairs (interstitials and vacancies). The interstitials and vacancies diffuse and recombine to (I) nullify the damage when an interstitial recombines with a vacancy, (II) form interstitial clusters when two or more interstitials recombine, and (III) form vacancy clusters when several vacancies come together. The latter two processes result in change of material properties. Interstitial diffusion has reported time-scales of microseconds and vacancy diffusion has diffusion time-scales of the order of seconds. We have carried out molecular dynamics (MD) simulations of interstitial diffusion in crystal Cu to study the mechanism of diffusion. It is found that interstitialcy diffusion – wherein an interstitial displaces a lattice atom thereby making the lattice atom an interstitial – has time-scales of a few tens of pico-seconds. Therefore we propose that the “interstitialcy diffusion” mechanism could play a major part in the diffusive-recombinations of the Frenkel Pairs created during the cascade.

  8. The compression pathway of quartz

    SciTech Connect

    Thompson, Richard M.; Downs, Robert T.; Dera, Przemyslaw

    2011-11-07

    The structure of quartz over the temperature domain (298 K, 1078 K) and pressure domain (0 GPa, 20.25 GPa) is compared to the following three hypothetical quartz crystals: (1) Ideal {alpha}-quartz with perfectly regular tetrahedra and the same volume and Si-O-Si angle as its observed equivalent (ideal {beta}-quartz has Si-O-Si angle fixed at 155.6{sup o}). (2) Model {alpha}-quartz with the same Si-O-Si angle and cell parameters as its observed equivalent, derived from ideal by altering the axial ratio. (3) BCC quartz with a perfectly body-centered cubic arrangement of oxygen anions and the same volume as its observed equivalent. Comparison of experimental data recorded in the literature for quartz with these hypothetical crystal structures shows that quartz becomes more ideal as temperature increases, more BCC as pressure increases, and that model quartz is a very good representation of observed quartz under all conditions. This is consistent with the hypothesis that quartz compresses through Si-O-Si angle-bending, which is resisted by anion-anion repulsion resulting in increasing distortion of the c/a axial ratio from ideal as temperature decreases and/or pressure increases.

  9. Dependence of crystallization of Brownian particles by sedimentation on the force direction

    NASA Astrophysics Data System (ADS)

    Sato, Masahide; Yusuf Hakim Widianto, Muhammad; Kanatsu, Youhei

    2015-11-01

    The formation of a large close-packed colloidal crystal with the fcc structure was observed during the sedimentation of colloidal particles in an inverted pyramidal pit [S. Matsuo et al., Appl. Phys. Lett. 82, 4285 (2003)]. Carrying out Brownian dynamics simulations, we confirmed that large grains with the fcc structure are formed when the apex angle of the inverted pyramidal container is suitable and the force direction is parallel to the the center axis [Y. Kanatsu and M. Sato, J. Phys. Soc. Jpn. 84, 044601 (2015)]. To form a high-quality colloidal crystal without defects, it is important to investigate in detail how the quality of a colloidal crystal is affected by the force direction and container shape. In this paper, we focus on the effect of the force direction on crystal quality and investigate how the ratio of the number of the hcp structured particles, Nhcp, to that of fcc structured particles, Nfcc, is affected by the force direction. In our simulation, the ratio of Nfcc to Nhcp is hardly changed when the force direction deviates from the central axis: Nfcc is much larger than Nhcp irrespective of the force direction. Thus, our results show that the crystal structure is insensitive to the force direction in forming a colloidal crystal by sedimentation in an inverted pyramidal container.

  10. Weak crystallization theory of metallic alloys

    NASA Astrophysics Data System (ADS)

    Martin, Ivar; Gopalakrishnan, Sarang; Demler, Eugene A.

    2016-06-01

    Crystallization is one of the most familiar, but hardest to analyze, phase transitions. The principal reason is that crystallization typically occurs via a strongly first-order phase transition, and thus rigorous treatment would require comparing energies of an infinite number of possible crystalline states with the energy of liquid. A great simplification occurs when crystallization transition happens to be weakly first order. In this case, weak crystallization theory, based on unbiased Ginzburg-Landau expansion, can be applied. Even beyond its strict range of validity, it has been a useful qualitative tool for understanding crystallization. In its standard form, however, weak crystallization theory cannot explain the existence of a majority of observed crystalline and quasicrystalline states. Here we extend the weak crystallization theory to the case of metallic alloys. We identify a singular effect of itinerant electrons on the form of weak crystallization free energy. It is geometric in nature, generating strong dependence of free energy on the angles between ordering wave vectors of ionic density. That leads to stabilization of fcc, rhombohedral, and icosahedral quasicrystalline (iQC) phases, which are absent in the generic theory with only local interactions. As an application, we find the condition for stability of iQC that is consistent with the Hume-Rothery rules known empirically for the majority of stable iQC; namely, the length of the primary Bragg-peak wave vector is approximately equal to the diameter of the Fermi sphere.

  11. Compressive Optical Image Encryption

    PubMed Central

    Li, Jun; Sheng Li, Jiao; Yang Pan, Yang; Li, Rong

    2015-01-01

    An optical image encryption technique based on compressive sensing using fully optical means has been proposed. An object image is first encrypted to a white-sense stationary noise pattern using a double random phase encoding (DRPE) method in a Mach-Zehnder interferometer. Then, the encrypted image is highly compressed to a signal using single-pixel compressive holographic imaging in the optical domain. At the receiving terminal, the encrypted image is reconstructed well via compressive sensing theory, and the original image can be decrypted with three reconstructed holograms and the correct keys. The numerical simulations show that the method is effective and suitable for optical image security transmission in future all-optical networks because of the ability of completely optical implementation and substantially smaller hologram data volume. PMID:25992946

  12. Compressive holographic video

    NASA Astrophysics Data System (ADS)

    Wang, Zihao; Spinoulas, Leonidas; He, Kuan; Tian, Lei; Cossairt, Oliver; Katsaggelos, Aggelos K.; Chen, Huaijin

    2017-01-01

    Compressed sensing has been discussed separately in spatial and temporal domains. Compressive holography has been introduced as a method that allows 3D tomographic reconstruction at different depths from a single 2D image. Coded exposure is a temporal compressed sensing method for high speed video acquisition. In this work, we combine compressive holography and coded exposure techniques and extend the discussion to 4D reconstruction in space and time from one coded captured image. In our prototype, digital in-line holography was used for imaging macroscopic, fast moving objects. The pixel-wise temporal modulation was implemented by a digital micromirror device. In this paper we demonstrate $10\\times$ temporal super resolution with multiple depths recovery from a single image. Two examples are presented for the purpose of recording subtle vibrations and tracking small particles within 5 ms.

  13. The Compressibility Burble

    NASA Technical Reports Server (NTRS)

    Stack, John

    1935-01-01

    Simultaneous air-flow photographs and pressure-distribution measurements have been made of the NACA 4412 airfoil at high speeds in order to determine the physical nature of the compressibility burble. The flow photographs were obtained by the Schlieren method and the pressures were simultaneously measured for 54 stations on the 5-inch-chord wing by means of a multiple-tube photographic manometer. Pressure-measurement results and typical Schlieren photographs are presented. The general nature of the phenomenon called the "compressibility burble" is shown by these experiments. The source of the increased drag is the compression shock that occurs, the excess drag being due to the conversion of a considerable amount of the air-stream kinetic energy into heat at the compression shock.

  14. Muon cooling: longitudinal compression.

    PubMed

    Bao, Yu; Antognini, Aldo; Bertl, Wilhelm; Hildebrandt, Malte; Khaw, Kim Siang; Kirch, Klaus; Papa, Angela; Petitjean, Claude; Piegsa, Florian M; Ritt, Stefan; Sedlak, Kamil; Stoykov, Alexey; Taqqu, David

    2014-06-06

    A 10  MeV/c positive muon beam was stopped in helium gas of a few mbar in a magnetic field of 5 T. The muon "swarm" has been efficiently compressed from a length of 16 cm down to a few mm along the magnetic field axis (longitudinal compression) using electrostatic fields. The simulation reproduces the low energy interactions of slow muons in helium gas. Phase space compression occurs on the order of microseconds, compatible with the muon lifetime of 2  μs. This paves the way for the preparation of a high-quality low-energy muon beam, with an increase in phase space density relative to a standard surface muon beam of 10^{7}. The achievable phase space compression by using only the longitudinal stage presented here is of the order of 10^{4}.

  15. Compressive laser ranging.

    PubMed

    Babbitt, Wm Randall; Barber, Zeb W; Renner, Christoffer

    2011-12-15

    Compressive sampling has been previously proposed as a technique for sampling radar returns and determining sparse range profiles with a reduced number of measurements compared to conventional techniques. By employing modulation on both transmission and reception, compressive sensing in ranging is extended to the direct measurement of range profiles without intermediate measurement of the return waveform. This compressive ranging approach enables the use of pseudorandom binary transmit waveforms and return modulation, along with low-bandwidth optical detectors to yield high-resolution ranging information. A proof-of-concept experiment is presented. With currently available compact, off-the-shelf electronics and photonics, such as high data rate binary pattern generators and high-bandwidth digital optical modulators, compressive laser ranging can readily achieve subcentimeter resolution in a compact, lightweight package.

  16. Compressive optical image encryption.

    PubMed

    Li, Jun; Sheng Li, Jiao; Yang Pan, Yang; Li, Rong

    2015-05-20

    An optical image encryption technique based on compressive sensing using fully optical means has been proposed. An object image is first encrypted to a white-sense stationary noise pattern using a double random phase encoding (DRPE) method in a Mach-Zehnder interferometer. Then, the encrypted image is highly compressed to a signal using single-pixel compressive holographic imaging in the optical domain. At the receiving terminal, the encrypted image is reconstructed well via compressive sensing theory, and the original image can be decrypted with three reconstructed holograms and the correct keys. The numerical simulations show that the method is effective and suitable for optical image security transmission in future all-optical networks because of the ability of completely optical implementation and substantially smaller hologram data volume.

  17. Compressible Astrophysics Simulation Code

    SciTech Connect

    Howell, L.; Singer, M.

    2007-07-18

    This is an astrophysics simulation code involving a radiation diffusion module developed at LLNL coupled to compressible hydrodynamics and adaptive mesh infrastructure developed at LBNL. One intended application is to neutrino diffusion in core collapse supernovae.

  18. Compressive holographic video.

    PubMed

    Wang, Zihao; Spinoulas, Leonidas; He, Kuan; Tian, Lei; Cossairt, Oliver; Katsaggelos, Aggelos K; Chen, Huaijin

    2017-01-09

    Compressed sensing has been discussed separately in spatial and temporal domains. Compressive holography has been introduced as a method that allows 3D tomographic reconstruction at different depths from a single 2D image. Coded exposure is a temporal compressed sensing method for high speed video acquisition. In this work, we combine compressive holography and coded exposure techniques and extend the discussion to 4D reconstruction in space and time from one coded captured image. In our prototype, digital in-line holography was used for imaging macroscopic, fast moving objects. The pixel-wise temporal modulation was implemented by a digital micromirror device. In this paper we demonstrate 10× temporal super resolution with multiple depths recovery from a single image. Two examples are presented for the purpose of recording subtle vibrations and tracking small particles within 5 ms.

  19. Vertebral Compression Fractures

    MedlinePlus

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  20. Smoothing DCT Compression Artifacts

    NASA Technical Reports Server (NTRS)

    Ahumada, A. J., Jr.; Horng, R.; Statler, Irving C. (Technical Monitor)

    1994-01-01

    Image compression based on quantizing the image in the discrete cosine transform (DCT) domain can generate blocky artifacts in the output image. It is possible to reduce these artifacts and RMS error by adjusting measures of block edginess and image roughness, while restricting the DCT coefficient values to values that would have been quantized to those of the compressed image. We also introduce a DCT coefficient amplitude adjustment that reduces RMS error.

  1. Alternative Compression Garments

    NASA Technical Reports Server (NTRS)

    Stenger, M. B.; Lee, S. M. C.; Ribeiro, L. C.; Brown, A. K.; Westby, C. M.; Platts, S. H.

    2011-01-01

    Orthostatic intolerance after spaceflight is still an issue for astronauts as no in-flight countermeasure has been 100% effective. Future anti-gravity suits (AGS) may be similar to the Shuttle era inflatable AGS or may be a mechanical compression device like the Russian Kentavr. We have evaluated the above garments as well as elastic, gradient compression garments of varying magnitude and determined that breast-high elastic compression garments may be a suitable replacement to the current AGS. This new garment should be more comfortable than the AGS, easy to don and doff, and as effective a countermeasure to orthostatic intolerance. Furthermore, these new compression garments could be worn for several days after space flight as necessary if symptoms persisted. We conducted two studies to evaluate elastic, gradient compression garments. The purpose of these studies was to evaluate the comfort and efficacy of an alternative compression garment (ACG) immediately after actual space flight and 6 degree head-down tilt bed rest as a model of space flight, and to determine if they would impact recovery if worn for up to three days after bed rest.

  2. Compressed image deblurring

    NASA Astrophysics Data System (ADS)

    Xu, Yuquan; Hu, Xiyuan; Peng, Silong

    2014-03-01

    We propose an algorithm to recover the latent image from the blurred and compressed input. In recent years, although many image deblurring algorithms have been proposed, most of the previous methods do not consider the compression effect in blurry images. Actually, it is unavoidable in practice that most of the real-world images are compressed. This compression will introduce a typical kind of noise, blocking artifacts, which do not meet the Gaussian distribution assumed in most existing algorithms. Without properly handling this non-Gaussian noise, the recovered image will suffer severe artifacts. Inspired by the statistic property of compression error, we model the non-Gaussian noise as hyper-Laplacian distribution. Based on this model, an efficient nonblind image deblurring algorithm based on variable splitting technique is proposed to solve the resulting nonconvex minimization problem. Finally, we also address an effective blind image deblurring algorithm which can deal with the compressed and blurred images efficiently. Extensive experiments compared with state-of-the-art nonblind and blind deblurring methods demonstrate the effectiveness of the proposed method.

  3. Image compression technique

    DOEpatents

    Fu, C.Y.; Petrich, L.I.

    1997-03-25

    An image is compressed by identifying edge pixels of the image; creating a filled edge array of pixels each of the pixels in the filled edge array which corresponds to an edge pixel having a value equal to the value of a pixel of the image array selected in response to the edge pixel, and each of the pixels in the filled edge array which does not correspond to an edge pixel having a value which is a weighted average of the values of surrounding pixels in the filled edge array which do correspond to edge pixels; and subtracting the filled edge array from the image array to create a difference array. The edge file and the difference array are then separately compressed and transmitted or stored. The original image is later reconstructed by creating a preliminary array in response to the received edge file, and adding the preliminary array to the received difference array. Filling is accomplished by solving Laplace`s equation using a multi-grid technique. Contour and difference file coding techniques also are described. The techniques can be used in a method for processing a plurality of images by selecting a respective compression approach for each image, compressing each of the images according to the compression approach selected, and transmitting each of the images as compressed, in correspondence with an indication of the approach selected for the image. 16 figs.

  4. Image compression technique

    DOEpatents

    Fu, Chi-Yung; Petrich, Loren I.

    1997-01-01

    An image is compressed by identifying edge pixels of the image; creating a filled edge array of pixels each of the pixels in the filled edge array which corresponds to an edge pixel having a value equal to the value of a pixel of the image array selected in response to the edge pixel, and each of the pixels in the filled edge array which does not correspond to an edge pixel having a value which is a weighted average of the values of surrounding pixels in the filled edge array which do correspond to edge pixels; and subtracting the filled edge array from the image array to create a difference array. The edge file and the difference array are then separately compressed and transmitted or stored. The original image is later reconstructed by creating a preliminary array in response to the received edge file, and adding the preliminary array to the received difference array. Filling is accomplished by solving Laplace's equation using a multi-grid technique. Contour and difference file coding techniques also are described. The techniques can be used in a method for processing a plurality of images by selecting a respective compression approach for each image, compressing each of the images according to the compression approach selected, and transmitting each of the images as compressed, in correspondence with an indication of the approach selected for the image.

  5. FCC reactor product-catalyst separation: Ten years of commercial experience with closed cyclones

    SciTech Connect

    Miller, R.B.; Johnson, T.E.; Santner, C.R.; Avidan, A.A.; Johnson, D.L.

    1995-09-01

    FCC reactor closed cyclones were first commercialized ten years ago and have now been installed in over 22 FCC units worldwide. Cumulative commercial experience has shown significant yield benefits, in some cases higher than first estimated, and excellent reliability. By nearly eliminating post-riser cracking, they reduce dry gas make and produce higher yields of desirable liquid products. Trouble-free operation with closed cyclones is attributed to proper design, instrumentation, and operating procedures. The Mobil-Kellogg Closed Cyclone technology is the only design offered for license which uses the positive-pressure riser cyclone system which has proven to be least sensitive to upsets. This paper traces the development and commercialization of closed cyclones, discusses differences between competing closed cyclone designs, and documents the benefits which have been observed for Mobil-Kellogg Closed Cyclones.

  6. Realizing high magnetic moments in fcc Fe nanoparticles through atomic structure stretch.

    PubMed

    Baker, S H; Roy, M; Thornton, S C; Binns, C

    2012-05-02

    We describe the realization of a high moment state in fcc Fe nanoparticles through a controlled change in their atomic structure. Embedding Fe nanoparticles in a Cu(1-x)Au(x) matrix causes their atomic structure to switch from bcc to fcc. Extended x-ray absorption fine structure (EXAFS) measurements show that the structure in both the matrix and the Fe nanoparticles expands as the amount of Au in the matrix is increased, with the data indicating a tetragonal stretch in the Fe nanoparticles. The samples were prepared directly from the gas phase by co-deposition, using a gas aggregation source and MBE-type sources respectively for the nanoparticle and matrix materials. The structure change in the Fe nanoparticles is accompanied by a sharp increase in atomic magnetic moment, ultimately to values of ~2.5 ± 0.3 μ(B)/atom .

  7. Multiscale calculations of dislocation bias in fcc Ni and bcc Fe model lattices

    NASA Astrophysics Data System (ADS)

    Chang, Z.; Olsson, P.; Terentyev, D.; Sandberg, N.

    2015-06-01

    In order to gain more insights on void swelling, dislocation bias is studied in this work. Molecular static simulations with empirical potentials are applied to map the dislocation-point defects interaction energies in both fcc Ni and bcc Fe model lattices. The interaction energies are then used to numerically solve the diffusion equation and obtain the dislocation bias. The importance of the dislocation core region is studied under a the temperature range 573-1173 K and the dislocation densities 1012-1015m-2 . The results show that larger dislocation bias is found in the fcc Ni than in the bcc Fe under different temperatures and dislocation densities. The anisotropic interaction energy model is used to obtain the dislocation bias and the result is compared to that obtained using the atomistic interaction model, the contribution from the core structure is then shown in both the Ni lattice and the Fe lattice.

  8. Spin waves in the fcc lattice antiferromagnet: competing interactions, frustration, and instabilities in the Hubbard model

    NASA Astrophysics Data System (ADS)

    Singh, Avinash; Mohapatra, Shubhajyoti; Ziman, Timothy; Chatterji, Tapan

    2017-02-01

    Spin waves in the type-III ordered antiferromagnetic state of the frustrated t- t ' Hubbard model on the face-centred-cubic (fcc) lattice are calculated to investigate finite-U-induced competing interaction and frustration effects on magnetic excitations and instabilities. Particularly strong competing interactions generated due to the interplay of fcc lattice geometry and magnetic order result in significant spin wave softening. The calculated spin wave dispersion is found to be in qualitative agreement with the measured spin wave dispersion in the pyrite mineral MnS2 obtained from inelastic neutron scattering experiments. Instabilities to other magnetic orders (type I, type II, spiral, non-collinear), as signalled by spin wave energies turning negative, are also discussed.

  9. Atomic Mobilities and Interdiffusivities for fcc Ni-Cr-Nb Alloys

    NASA Astrophysics Data System (ADS)

    Xu, Gaochi; Liu, Yajun; Kang, Zhitao

    2016-10-01

    The atomic mobilities and diffusion characteristics for fcc Ni-Cr-Nb alloys are explored by diffusion couples annealed at 1273 K (1000 °C) for 200 hours. The interdiffusion coefficients are extracted from intersection points of two diffusion paths, after which the atomic mobilities of Ni, Cr, and Nb in fcc Ni-Cr-Nb alloys are inversely obtained within the CALPHAD framework with the aid of related thermodynamic descriptions. In order to verify the quality of obtained kinetic parameters so that an accurate Ni-based atomic mobility database can be established, the composition profiles in diffusion couples and the diffusion paths superimposed upon Gibbs triangle are explored, where the experimentally measured and calculated values show good agreement.

  10. A novel potential: the interlayer potential for the fcc (111) plane family.

    PubMed

    Tian, Fu-Yang; Chen, Nan-Xian; Shen, Jiang; Vitos, Levente

    2012-02-01

    We propose a novel interlayer potential, which is different from usual interatomic potentials. The interlayer potential represents the interaction between atomic layers in a layered material. Based on the Chen-Möbius inversion method in combination with ab initio calculations, the interlayer interactions are obtained for the face centered cubic (fcc) (111) planes. In order to check the validity of our interlayer potential, we calculate the intrinsic stacking fault energy (γ(sf)) and the surface energy (γ(s)) of five metals: Al, Ni, Cu, Ag and Au. The predicted γ(sf) and γ(s) values are compared with the theoretical results obtained from direct calculations and also with the available experimental data. Using the interlayer potentials, we also investigate the phonon dispersion and phonon density of state in the fcc (111) plane family of the considered metals.

  11. Ferromagnetism in fcc twinned 2.4 nm size Pd nanoparticles.

    PubMed

    Sampedro, B; Crespo, P; Hernando, A; Litrán, R; Sánchez López, J C; López Cartes, C; Fernandez, A; Ramírez, J; González Calbet, J; Vallet, M

    2003-12-05

    The onset of ferromagnetism has been experimentally observed in small Pd particles of average diameter 2.4 nm. High-resolution studies reveal that a high percentage of the fcc particle exhibits single and multiple twinning boundaries. The spontaneous magnetization close to 0.02 emu/g seems to indicate that only a small fraction of atoms holds a permanent magnetic moment and contributes to ferromagnetism. The possible origin of ferromagnetism is briefly discussed according to different models recently reported.

  12. Origin of the thermoreversible fcc-bcc transition in block copolymer solutions.

    PubMed

    Lodge, Timothy P; Bang, Joona; Park, Moon Jeong; Char, Kookheon

    2004-04-09

    The thermoreversible fcc-bcc transition in concentrated block copolymer micellar solutions is shown to be driven by decreases in the aggregation number as the solvent penetrates the core, leading to a softer intermicelle potential. Small-angle neutron scattering measurements in a dilute solution are used to quantify the temperature-dependent micellar characteristics. The observed phase boundary is in excellent agreement with recent simulations of highly branched star polymers.

  13. Adatom Ascending at Step Edges and Faceting on fcc Metal (110) Surfaces

    SciTech Connect

    Zhu, W.; de Mongeot, F. B.; Valbusa, U.; Wang, E. G.; Zhang, Zhenyu

    2004-01-01

    Using first-principles total-energy calculations, we show that an adatom can easily climb up at monatomic-layer-high steps on several representative fcc metal (110) surfaces via a place exchange mechanism. Inclusion of such novel adatom ascending processes in kinetic Monte Carlo simulations of Al(110) homoepitaxy as a prototypical model system can lead to the existence of an intriguing faceting instability, whose dynamical evolution and kinetic nature are explored in comparison with experimental observations.

  14. Development of OCDMA system based on Flexible Cross Correlation (FCC) code with OFDM modulation

    NASA Astrophysics Data System (ADS)

    Aldhaibani, A. O.; Aljunid, S. A.; Anuar, M. S.; Arief, A. R.; Rashidi, C. B. M.

    2015-03-01

    The performance of the OCDMA systems is governed by numerous quantitative parameters such as the data rate, simultaneous number of users, the powers of transmitter and receiver, and the type of codes. This paper analyzes the performance of the OCDMA system using OFDM technique to enhance the channel data rate, to save power and increase the number of user of OSCDMA systems compared with previous hybrid subcarrier multiplexing/optical spectrum code division multiplexing (SCM/OSCDM) system. The average received signal to noise ratio (SNR) with the nonlinearity of subcarriers is derived. The theoretical results have been evaluated based on BER and number of users as well as amount of power saved. The proposed system gave better performance and save around -6 dBm of the power as well as increase the number of users twice compare to SCM/OCDMA system. In addition it is robust against interference and much more spectrally efficient than SCM/OCDMA system. The system was designed based on Flexible Cross Correlation (FCC) code which is easier construction, less complexity of encoder/decoder design and flexible in-phase cross-correlation for uncomplicated to implement using Fiber Bragg Gratings (FBGs) for the OCDMA systems for any number of users and weights. The OCDMA-FCC_OFDM improves the number of users (cardinality) 108% compare to SCM/ODCMA-FCC system.

  15. Effect of Stacking Sequence on Surface Magnetism: Strained hcp Gd(0001) vs fcc Gd(111) Surface

    NASA Astrophysics Data System (ADS)

    Hong, S. C.; Freeman, A. J.

    1997-03-01

    Very recently, the distortion of the bulk bands of Gd was observed with angle resolved photoemission spectrocopy for Gd(0001) films grown on the corrugated Mo(112) surface(C. Waldfried, D.N. McIlroy, C.W. Hutchings, P.A. Dowben, private communication). To clarify the origin of this band distortion, first principles calculations have been done on hcp Gd(0001) and fcc Gd(111) with 2D lattice constants expanded by 20% using the highly precise full-potential linearized augmented plane wave (FLAPW) method(E. Wimmer, H. Krakauer, M. Weinert, and A.J. Freeman Phys. Rev. B24), 864 (1981).. The interlayer spacings were fully relaxed with atomic force and total energy calculations. We found that the strain does not distort the bulk bands significantly; for hcp Gd(0001), the spin magnetic moment(0.61 μ_B) of conduction electrons at the surface layer is enhanced by 13% compared to that (0.54 μ_B) of the bulk-like layer, but for the fcc Gd(111) the moment (0.65 μ_B) at the surface is reduced by 11% compared to that (0.72 μ_B) of the bulk-like layer. This unusal reduction of the magnetic moment at the fcc Gd(111) surface will be discused.

  16. Comparing the structural stability of PbS nanocrystals assembled in fcc and bcc superlattice allotropes.

    PubMed

    Bian, Kaifu; Wang, Zhongwu; Hanrath, Tobias

    2012-07-04

    We investigated the structural stability of colloidal PbS nanocrystals (NCs) self-assembled into superlattice (SL) allotropes of either face-centered cubic (fcc) or body-centered cubic (bcc) symmetry. Small-angle X-ray scattering analysis showed that the NC packing density is higher in the bcc than in the fcc SL; this is a manifestation of the cuboctahedral shape of the NC building block. Using the high-pressure rock-salt/orthorhombic phase transition as a stability indicator, we discovered that the transition pressure for NCs in a bcc SL occurs at 8.5 GPa, which is 1.5 GPa higher than the transition pressure (7.0 GPa) observed for a fcc SL. The higher structural stability in the bcc SL is attributed primarily to the effective absorption of loading force in specific SL symmetry and to a lesser extent to the surface energy of the NCs. The experimental results provide new insights into the fundamental relationship between the symmetry of the self-assembled SL and the structural stability of the constituent NCs.

  17. The prediction of filter belt press dewatering efficiency for activated sludge by experimentation on filtration compression cells.

    PubMed

    Olivier, J; Vaxelaire, J

    2004-12-01

    The filter belt press is commonly used to dewater activated sludge. However, little research has been done on this process and the prediction of its efficiency. Experimentation has been carried out in a filtration compression cell (FCC) and in a pilot scale filter belt press. It offers a way of determining filter belt press efficiency thanks to simple laboratory research. The pressure distribution around the pressing roller was measured inside the pilot scale filter belt press. It showed progressive increase (up to a certain maximum value: plateau), which was followed by a rapid decrease. The impact of the progressive increase of applied pressure onto the dry solid sludge content was observed in FCC. Similar dry solid contents were obtained from both the above laboratory devices when the application of the pressure is comparable (in time and increasing rate).

  18. Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd

    SciTech Connect

    McMahan, A K

    2005-03-30

    This paper reports calculations for compressed Ce (4f{sup 1}), Pr (4f{sup 2}), and Nd (4f{sup 3}) using a combination of the local-density approximation (LDA) and dynamical mean field theory (DMFT), or LDA+DMFT. The 4f moment, spectra, and the total energy among other properties are examined as functions of volume and atomic number for an assumed face-centered cubic (fcc) structure. These materials are seen to be strongly localized at ambient pressure and for compressions up through the experimentally observed fcc phases ({gamma} phase for Ce), in the sense of having fully formed Hund's rules moments and little 4f spectral weight at the Fermi level. Subsequent compression for all three lanthanides brings about significant deviation of the moments from their Hund's rules values, a growing Kondo resonance at the fermi level, an associated softening in the total energy, and quenching of the spin orbit since the Kondo resonance is of mixed spin-orbit character while the lower Hubbard band is predominantly j = 5/2. while the most dramatic changes for Ce occur within the two-phase region of the {gamma}-{alpha} volume collapse transition, as found in earlier work, those for Pr and Nd occur within the volume range of the experimentally observed distorted fcc (dfcc) phase, which is therefore seen here as transitional and not part of the localized trivalent lanthanide sequence. The experimentally observed collapse to the {alpha}-U structure in Pr occurs only on further compression, and no such collapse is found in Nd. These lanthanides start closer to the localized limit for increasing atomic number, and so the theoretical signatures noted above are also offset to smaller volume as well, which is possibly related to the measured systematics of the size of the volume collapse being 15%, 9%, and none for Ce, Pr, and Nd, respectively.

  19. Atomistically determined phase-field modeling of dislocation dissociation, stacking fault formation, dislocation slip, and reactions in fcc systems

    NASA Astrophysics Data System (ADS)

    Rezaei Mianroodi, Jaber; Svendsen, Bob

    2015-04-01

    The purpose of the current work is the development of a phase field model for dislocation dissociation, slip and stacking fault formation in single crystals amenable to determination via atomistic or ab initio methods in the spirit of computational material design. The current approach is based in particular on periodic microelasticity (Wang and Jin, 2001; Bulatov and Cai, 2006; Wang and Li, 2010) to model the strongly non-local elastic interaction of dislocation lines via their (residual) strain fields. These strain fields depend in turn on phase fields which are used to parameterize the energy stored in dislocation lines and stacking faults. This energy storage is modeled here with the help of the "interface" energy concept and model of Cahn and Hilliard (1958) (see also Allen and Cahn, 1979; Wang and Li, 2010). In particular, the "homogeneous" part of this energy is related to the "rigid" (i.e., purely translational) part of the displacement of atoms across the slip plane, while the "gradient" part accounts for energy storage in those regions near the slip plane where atomic displacements deviate from being rigid, e.g., in the dislocation core. Via the attendant global energy scaling, the interface energy model facilitates an atomistic determination of the entire phase field energy as an optimal approximation of the (exact) atomistic energy; no adjustable parameters remain. For simplicity, an interatomic potential and molecular statics are employed for this purpose here; alternatively, ab initio (i.e., DFT-based) methods can be used. To illustrate the current approach, it is applied to determine the phase field free energy for fcc aluminum and copper. The identified models are then applied to modeling of dislocation dissociation, stacking fault formation, glide and dislocation reactions in these materials. As well, the tensile loading of a dislocation loop is considered. In the process, the current thermodynamic picture is compared with the classical mechanical

  20. Compressive and classical hyperspectral systems: a fundamental comparison

    NASA Astrophysics Data System (ADS)

    Shay, Adi; August, Isaac Y.; Stern, Adrian

    2015-05-01

    Hyperspectral imagery involves capturing and processing a tremendous amount of data, which sets severe system resource requirements. This has motivated the application of compressive sensing for different spectroscopic and spectroscopic imager systems. Several new compressive hyperspectral architectures have been designed to stretch the common limitations of classical systems. However, the application of the compressive sensing framework involves design of system architectures that differ significantly from the conventional ones. Since compressive sensing differs essentially from conventional sensing, it cannot be implemented for hyperspectral imaging by simply modifying one of the components of a conventional hyperspectral system, rather it requires a complete new design. In this work we present a comparison between four compressive hyperspectral architectures to conventional architectures. The compressive hyperspectral sensing compared are: Coded Aperture Snapshot Spectral Imaging (CASSI), Compressive HS Imaging by Separable Spatial And Spectral Operators (CHISSS), (Liquid-crystal Compressive spectral Imager) LiCSI and (Spectral Single-Pixel) SSP systems. Those methods are compared to conventional spatial/spectral scanning hyperspectral such as pushbroom, whiskbroom and color filter techniques. A fundamental comparison between these architectures is presented in terms of optical system volume and radiometric efficiency.

  1. From ELF to compressibility in solids.

    PubMed

    Contreras-García, Julia; Marqués, Miriam; Menéndez, José Manuel; Recio, José Manuel

    2015-04-13

    Understanding the electronic nature of materials' compressibility has always been a major issue behind tabulation and rationalization of bulk moduli. This is especially because this understanding is one of the main approaches to the design and proposal of new materials with a desired (e.g., ultralow) compressibility. It is well recognized that the softest part of the solid will be the one responsible for its compression at the first place. In chemical terms, this means that the valence will suffer the main consequences of pressurization.It is desirable to understand this response to pressure in terms of the valence properties(charge, volume, etc.). One of the possible approaches is to consider models of electronic separability, such as the bond charge model (BCM), which provides insight into the cohesion of covalent crystals in analogy with the classical ionic model. However, this model relies on empirical parametrization of bond and lone pair properties. In this contribution, we have coupled electron localization function (ELF) ab initio data with the bond charge model developed by Parr in order to analyze solid state compressibility from first principles and moreover, to derive general trends and shed light upon superhard behavior.

  2. From ELF to Compressibility in Solids

    PubMed Central

    Contreras-García, Julia; Marqués, Miriam; Menéndez, José Manuel; Recio, José Manuel

    2015-01-01

    Understanding the electronic nature of materials’ compressibility has always been a major issue behind tabulation and rationalization of bulk moduli. This is especially because this understanding is one of the main approaches to the design and proposal of new materials with a desired (e.g., ultralow) compressibility. It is well recognized that the softest part of the solid will be the one responsible for its compression at the first place. In chemical terms, this means that the valence will suffer the main consequences of pressurization. It is desirable to understand this response to pressure in terms of the valence properties (charge, volume, etc.). One of the possible approaches is to consider models of electronic separability, such as the bond charge model (BCM), which provides insight into the cohesion of covalent crystals in analogy with the classical ionic model. However, this model relies on empirical parametrization of bond and lone pair properties. In this contribution, we have coupled electron localization function (ELF) ab initio data with the bond charge model developed by Parr in order to analyze solid state compressibility from first principles and moreover, to derive general trends and shed light upon superhard behavior. PMID:25872139

  3. Nucleation and structural growth of cluster crystals.

    PubMed

    Leitold, Christian; Dellago, Christoph

    2016-08-21

    We study the nucleation of crystalline cluster phases in the generalized exponential model with exponent n = 4. Due to the finite value of this pair potential for zero separation, at high densities the system forms cluster crystals with multiply occupied lattice sites. Here, we investigate the microscopic mechanisms that lead to the formation of cluster crystals from a supercooled liquid in the low-temperature region of the phase diagram. Using molecular dynamics and umbrella sampling, we calculate the free energy as a function of the size of the largest crystalline nucleus in the system, and compare our results with predictions from classical nucleation theory. Employing bond-order parameters based on a Voronoi tessellation to distinguish different crystal structures, we analyze the average composition of crystalline nuclei. We find that even for conditions where a multiply occupied fcc crystal is the thermodynamically stable phase, the nucleation into bcc cluster crystals is strongly preferred. Furthermore, we study the particle mobility in the supercooled liquid and in the cluster crystal. In the cluster crystal, the motion of individual particles is captured by a simple reaction-diffusion model introduced previously to model the kinetics of hydrogen bonds.

  4. Crystallization characteristics in supercooled liquid zinc during isothermal relaxation: A molecular dynamics simulation study

    NASA Astrophysics Data System (ADS)

    Zhou, Li-Li; Liu, Rang-Su; Tian, Ze-An; Liu, Hai-Rong; Hou, Zhao-Yang; Peng, Ping

    2016-08-01

    The crystallization characteristics in supercooled liquid Zn during isothermal relaxation were investigated using molecular dynamics simulations by adopting the cluster-type index method (CTIM) and the tracing method. Results showed that the crystallization process undergo three different stages. The size of the critical nucleus was found to be approximately 90-150 atoms in this system; the growth of nuclei proceeded via the successive formation of hcp and fcc structures with a layered distribution; and finally, the system evolved into a much larger crystal with a distinct layered distribution of hcp and fcc structures with an 8R stacking sequence of ABCBACAB by adjusting all of the atoms in the larger clusters according to a certain rule.

  5. Crystallization characteristics in supercooled liquid zinc during isothermal relaxation: A molecular dynamics simulation study

    PubMed Central

    Zhou, Li-li; Liu, Rang-su; Tian, Ze-an; Liu, Hai-rong; Hou, Zhao-yang; Peng, Ping

    2016-01-01

    The crystallization characteristics in supercooled liquid Zn during isothermal relaxation were investigated using molecular dynamics simulations by adopting the cluster-type index method (CTIM) and the tracing method. Results showed that the crystallization process undergo three different stages. The size of the critical nucleus was found to be approximately 90–150 atoms in this system; the growth of nuclei proceeded via the successive formation of hcp and fcc structures with a layered distribution; and finally, the system evolved into a much larger crystal with a distinct layered distribution of hcp and fcc structures with an 8R stacking sequence of ABCBACAB by adjusting all of the atoms in the larger clusters according to a certain rule. PMID:27526660

  6. Transverse Compression of Tendons.

    PubMed

    Salisbury, S T Samuel; Buckley, C Paul; Zavatsky, Amy B

    2016-04-01

    A study was made of the deformation of tendons when compressed transverse to the fiber-aligned axis. Bovine digital extensor tendons were compression tested between flat rigid plates. The methods included: in situ image-based measurement of tendon cross-sectional shapes, after preconditioning but immediately prior to testing; multiple constant-load creep/recovery tests applied to each tendon at increasing loads; and measurements of the resulting tendon displacements in both transverse directions. In these tests, friction resisted axial stretch of the tendon during compression, giving approximately plane-strain conditions. This, together with the assumption of a form of anisotropic hyperelastic constitutive model proposed previously for tendon, justified modeling the isochronal response of tendon as that of an isotropic, slightly compressible, neo-Hookean solid. Inverse analysis, using finite-element (FE) simulations of the experiments and 10 s isochronal creep displacement data, gave values for Young's modulus and Poisson's ratio of this solid of 0.31 MPa and 0.49, respectively, for an idealized tendon shape and averaged data for all the tendons and E = 0.14 and 0.10 MPa for two specific tendons using their actual measured geometry. The compression load versus displacement curves, as measured and as simulated, showed varying degrees of stiffening with increasing load. This can be attributed mostly to geometrical changes in tendon cross section under load, varying according to the initial 3D shape of the tendon.

  7. Crystal Meth

    MedlinePlus

    ... from Other Parents Stories of Hope Crystal meth Crystal meth Story of Hope by giovanni January 3, ... about my drug addiction having to deal with Crystal meth. I am now in recovery and fighting ...

  8. Crystal Meth

    MedlinePlus

    ... Navigation Home / Stories of Hope / Crystal meth Crystal meth Story Of Hope By giovanni January 3rd, 2013 ... my drug addiction having to deal with Crystal meth. I am now in recovery and fighting my ...

  9. Crystal Creations.

    ERIC Educational Resources Information Center

    Whipple, Nona; Whitmore, Sherry

    1989-01-01

    Presents a many-faceted learning approach to the study of crystals. Provides instructions for performing activities including crystal growth and patterns, creating miniature simulations of crystal-containing rock formations, charcoal and sponge gardens, and snowflakes. (RT)

  10. Nucleation of crystals that are mixed composites of all three polymorphs in the Gaussian core model.

    PubMed

    Mithen, J P; Callison, A J; Sear, R P

    2015-06-14

    We present results of computer simulations of homogeneous crystal nucleation in the Gaussian core model. In our simulations, we study the competition between the body-centered-cubic (bcc), face-centered-cubic (fcc), and hexagonal-close-packed crystal phases. We find that the crystal nuclei that form from the metastable fluid phase are typically "mixed"; they do not consist of a single crystal polymorph. Furthermore, when the fcc phase is stable or fcc and bcc phases are equally stable, this mixed nature is found to persist far beyond the size at the top of the nucleation barrier, that is, far into what would be considered the growth (rather than nucleation) regime. In this region, the polymorph that forms is therefore selected long after nucleation. This has implications. When nucleation is slow, it will be the rate-limiting step for crystallization. Then, the step that determines the time scale for crystallisation is different from the step that controls which polymorph forms. This means that they can be independently controlled. Also between nucleation and polymorph selection, there is a growing phase that is clearly crystalline not fluid, but this phase cannot be assigned to any one polymorph.

  11. Nucleation of crystals that are mixed composites of all three polymorphs in the Gaussian core model

    NASA Astrophysics Data System (ADS)

    Mithen, J. P.; Callison, A. J.; Sear, R. P.

    2015-06-01

    We present results of computer simulations of homogeneous crystal nucleation in the Gaussian core model. In our simulations, we study the competition between the body-centered-cubic (bcc), face-centered-cubic (fcc), and hexagonal-close-packed crystal phases. We find that the crystal nuclei that form from the metastable fluid phase are typically "mixed"; they do not consist of a single crystal polymorph. Furthermore, when the fcc phase is stable or fcc and bcc phases are equally stable, this mixed nature is found to persist far beyond the size at the top of the nucleation barrier, that is, far into what would be considered the growth (rather than nucleation) regime. In this region, the polymorph that forms is therefore selected long after nucleation. This has implications. When nucleation is slow, it will be the rate-limiting step for crystallization. Then, the step that determines the time scale for crystallisation is different from the step that controls which polymorph forms. This means that they can be independently controlled. Also between nucleation and polymorph selection, there is a growing phase that is clearly crystalline not fluid, but this phase cannot be assigned to any one polymorph.

  12. The compressible mixing layer

    NASA Technical Reports Server (NTRS)

    Vandromme, Dany; Haminh, Hieu

    1991-01-01

    The capability of turbulence modeling correctly to handle natural unsteadiness appearing in compressible turbulent flows is investigated. Physical aspects linked to the unsteadiness problem and the role of various flow parameters are analyzed. It is found that unsteady turbulent flows can be simulated by dividing these motions into an 'organized' part for which equations of motion are solved and a remaining 'incoherent' part represented by a turbulence model. Two-equation turbulence models and second-order turbulence models can yield reasonable results. For specific compressible unsteady turbulent flow, graphic presentations of different quantities may reveal complementary physical features. Strong compression zones are observed in rapid flow parts but shocklets do not yet occur.

  13. Compressible Flow Toolbox

    NASA Technical Reports Server (NTRS)

    Melcher, Kevin J.

    2006-01-01

    The Compressible Flow Toolbox is primarily a MATLAB-language implementation of a set of algorithms that solve approximately 280 linear and nonlinear classical equations for compressible flow. The toolbox is useful for analysis of one-dimensional steady flow with either constant entropy, friction, heat transfer, or Mach number greater than 1. The toolbox also contains algorithms for comparing and validating the equation-solving algorithms against solutions previously published in open literature. The classical equations solved by the Compressible Flow Toolbox are as follows: The isentropic-flow equations, The Fanno flow equations (pertaining to flow of an ideal gas in a pipe with friction), The Rayleigh flow equations (pertaining to frictionless flow of an ideal gas, with heat transfer, in a pipe of constant cross section), The normal-shock equations, The oblique-shock equations, and The expansion equations.

  14. Isentropic compression of argon

    SciTech Connect

    Veeser, L.R.; Ekdahl, C.A.; Oona, H.

    1997-06-01

    The compression was done in an MC-1 flux compression (explosive) generator, in order to study the transition from an insulator to a conductor. Since conductivity signals were observed in all the experiments (except when the probe is removed), both the Teflon and the argon are becoming conductive. The conductivity could not be determined (Teflon insulation properties unknown), but it could be bounded as being {sigma}=1/{rho}{le}8({Omega}cm){sub -1}, because when the Teflon breaks down, the dielectric constant is reduced. The Teflon insulator problem remains, and other ways to better insulate the probe or to measure the conductivity without a probe is being sought.

  15. Image data compression investigation

    NASA Technical Reports Server (NTRS)

    Myrie, Carlos

    1989-01-01

    NASA continuous communications systems growth has increased the demand for image transmission and storage. Research and analysis was conducted on various lossy and lossless advanced data compression techniques or approaches used to improve the efficiency of transmission and storage of high volume stellite image data such as pulse code modulation (PCM), differential PCM (DPCM), transform coding, hybrid coding, interframe coding, and adaptive technique. In this presentation, the fundamentals of image data compression utilizing two techniques which are pulse code modulation (PCM) and differential PCM (DPCM) are presented along with an application utilizing these two coding techniques.

  16. Type-I cascaded quadratic soliton compression in lithium niobate: Compressing femtosecond pulses from high-power fiber lasers

    SciTech Connect

    Bache, Morten; Wise, Frank W.

    2010-05-15

    The output pulses of a commercial high-power femtosecond fiber laser or amplifier are typically around 300-500 fs with wavelengths of approximately 1030 nm and tens of microjoules of pulse energy. Here, we present a numerical study of cascaded quadratic soliton compression of such pulses in LiNbO{sub 3} using second-harmonic generation in a type-I phase-matching configuration. We find that because of competing cubic material nonlinearities, compression can only occur in the nonstationary regime, where group-velocity-mismatch-induced Raman-like nonlocal effects prevent compression to less than 100 fs. However, the strong group-velocity dispersion implies that the pulses can achieve moderate compression to durations of less than 130 fs in available crystal lengths. Most of the pulse energy is conserved because the compression is moderate. The effects of diffraction and spatial walk-off are addressed, and in particular the latter could become an issue when compressing such long crystals (around 10 cm long). We finally show that the second harmonic contains a short pulse locked to the pump and a long multi-picosecond red-shifted detrimental component. The latter is caused by the nonlocal effects in the nonstationary regime, but because it is strongly red-shifted to a position that can be predicted, we show that it can be removed using a bandpass filter, leaving a visible component of less than 100 fs at {lambda}=515 nm with excellent pulse quality.

  17. Nonlinear Frequency Compression

    PubMed Central

    Scollie, Susan; Glista, Danielle; Seelisch, Andreas

    2013-01-01

    Frequency lowering technologies offer an alternative amplification solution for severe to profound high frequency hearing losses. While frequency lowering technologies may improve audibility of high frequency sounds, the very nature of this processing can affect the perceived sound quality. This article reports the results from two studies that investigated the impact of a nonlinear frequency compression (NFC) algorithm on perceived sound quality. In the first study, the cutoff frequency and compression ratio parameters of the NFC algorithm were varied, and their effect on the speech quality was measured subjectively with 12 normal hearing adults, 12 normal hearing children, 13 hearing impaired adults, and 9 hearing impaired children. In the second study, 12 normal hearing and 8 hearing impaired adult listeners rated the quality of speech in quiet, speech in noise, and music after processing with a different set of NFC parameters. Results showed that the cutoff frequency parameter had more impact on sound quality ratings than the compression ratio, and that the hearing impaired adults were more tolerant to increased frequency compression than normal hearing adults. No statistically significant differences were found in the sound quality ratings of speech-in-noise and music stimuli processed through various NFC settings by hearing impaired listeners. These findings suggest that there may be an acceptable range of NFC settings for hearing impaired individuals where sound quality is not adversely affected. These results may assist an Audiologist in clinical NFC hearing aid fittings for achieving a balance between high frequency audibility and sound quality. PMID:23539261

  18. Compress Your Files

    ERIC Educational Resources Information Center

    Branzburg, Jeffrey

    2005-01-01

    File compression enables data to be squeezed together, greatly reducing file size. Why would someone want to do this? Reducing file size enables the sending and receiving of files over the Internet more quickly, the ability to store more files on the hard drive, and the ability pack many related files into one archive (for example, all files…

  19. The Compressed Video Experience.

    ERIC Educational Resources Information Center

    Weber, John

    In the fall semester 1995, Southern Arkansas University- Magnolia (SAU-M) began a two semester trial delivering college classes via a compressed video link between SAU-M and its sister school Southern Arkansas University Tech (SAU-T) in Camden. As soon as the University began broadcasting and receiving classes, it was discovered that using the…

  20. Focus on Compression Stockings

    MedlinePlus

    ... soap. Do not use Woolite™ detergent. Use warm water and wash by hand or in the gentle cycle in the washing machine. After rinsing the compression stocking completely, remove excess water by rolling it in a ... the dryer on the deli- cate cycle at a cool temperature. It may be convenient ...

  1. Synthesis of 4H/fcc-Au@M (M = Ir, Os, IrOs) Core-Shell Nanoribbons For Electrocatalytic Oxygen Evolution Reaction.

    PubMed

    Fan, Zhanxi; Luo, Zhimin; Chen, Ye; Wang, Jie; Li, Bing; Zong, Yun; Zhang, Hua

    2016-08-01

    The high-yield synthesis of 4H/face-centered cubic (fcc)-Au@Ir core-shell nanoribbons (NRBs) is achieved via the direct growth of Ir on 4H Au NRBs under ambient conditions. Importantly, this method can be used to synthesize 4H/fcc-Au@Os and 4H/fcc-Au@IrOs core-shell NRBs. Significantly, the obtained 4H/fcc-Au@Ir core-shell NRBs demonstrate an exceptional electrocatalytic activity toward the oxygen evolution reaction under acidic condition, which is much higher than that of the commercial Ir/C catalyst.

  2. Proceedings, High-Precision $\\alpha_s$ Measurements from LHC to FCC-ee

    SciTech Connect

    d'Enterria, David; Skands, Peter Z.

    2015-01-01

    This document provides a writeup of all contributions to the workshop on "High precision measurements of $\\alpha_s$: From LHC to FCC-ee" held at CERN, Oct. 12--13, 2015. The workshop explored in depth the latest developments on the determination of the QCD coupling $\\alpha_s$ from 15 methods where high precision measurements are (or will be) available. Those include low-energy observables: (i) lattice QCD, (ii) pion decay factor, (iii) quarkonia and (iv) $\\tau$ decays, (v) soft parton-to-hadron fragmentation functions, as well as high-energy observables: (vi) global fits of parton distribution functions, (vii) hard parton-to-hadron fragmentation functions, (viii) jets in $e^\\pm$p DIS and $\\gamma$-p photoproduction, (ix) photon structure function in $\\gamma$-$\\gamma$, (x) event shapes and (xi) jet cross sections in $e^+e^-$ collisions, (xii) W boson and (xiii) Z boson decays, and (xiv) jets and (xv) top-quark cross sections in proton-(anti)proton collisions. The current status of the theoretical and experimental uncertainties associated to each extraction method, the improvements expected from LHC data in the coming years, and future perspectives achievable in $e^+e^-$ collisions at the Future Circular Collider (FCC-ee) with $\\cal{O}$(1--100 ab$^{-1}$) integrated luminosities yielding 10$^{12}$ Z bosons and jets, and 10$^{8}$ W bosons and $\\tau$ leptons, are thoroughly reviewed. The current uncertainty of the (preliminary) 2015 strong coupling world-average value, $\\alpha_s(m_Z)$ = 0.1177 $\\pm$ 0.0013, is about 1\\%. Some participants believed this may be reduced by a factor of three in the near future by including novel high-precision observables, although this opinion was not universally shared. At the FCC-ee facility, a factor of ten reduction in the $\\alpha_s$ uncertainty should be possible, mostly thanks to the huge Z and W data samples available.

  3. Simulation of atomic diffusion in the Fcc NiAl system: A kinetic Monte Carlo study

    SciTech Connect

    Alfonso, Dominic R.; Tafen, De Nyago

    2015-04-28

    The atomic diffusion in fcc NiAl binary alloys was studied by kinetic Monte Carlo simulation. The environment dependent hopping barriers were computed using a pair interaction model whose parameters were fitted to relevant data derived from electronic structure calculations. Long time diffusivities were calculated and the effect of composition change on the tracer diffusion coefficients was analyzed. These results indicate that this variation has noticeable impact on the atomic diffusivities. A reduction in the mobility of both Ni and Al is demonstrated with increasing Al content. As a result, examination of the pair interaction between atoms was carried out for the purpose of understanding the predicted trends.

  4. Coupled Simulations of Texture Evolution during Deformation and Recrystallization of FCC and BCC Metals

    SciTech Connect

    Radhakrishnan, Balasubramaniam; Gorti, Sarma B

    2008-01-01

    Thermo-mechanical processing to produce optimum grain structure and texture is key to the successful utilization of commercial aluminum alloys and steels as sheet products. Several modeling techniques have been developed in the past with a reasonably good predictive capability for bulk deformation textures. However, prediction of texture evolution during recrystallization remains very challenging because of uncertainties involved in predicting the mechanisms that lead to nuclei formation and crystallographic orientations of the nuclei, and the uncertainties involved in predicting the grain boundary properties that determine the growth kinetics of the nuclei. We present some of our recent work in modeling the recrystallization textures following hot deformation in polycrystalline BCC and FCC metals.

  5. Understanding Anharmonicity in fcc Materials: From its Origin to ab initio Strategies beyond the Quasiharmonic Approximation.

    PubMed

    Glensk, A; Grabowski, B; Hickel, T; Neugebauer, J

    2015-05-15

    We derive the Gibbs energy including the anharmonic contribution due to phonon-phonon interactions for an extensive set of unary fcc metals (Al, Ag, Au, Cu, Ir, Ni, Pb, Pd, Pt, Rh) by combining density-functional-theory (DFT) calculations with efficient statistical sampling approaches. We show that the anharmonicity of the macroscopic system can be traced back to the anharmonicity in local pairwise interactions. Using this insight, we derive and benchmark a highly efficient approach which allows the computation of anharmonic contributions using a few T=0 K DFT calculations only.

  6. C-language package for standalone embedded atom method molecular dynamics simulations of fcc structures

    NASA Astrophysics Data System (ADS)

    Ocaya, R. O.; Terblans, J. J.

    Ab-initio molecular dynamics (MD) employs Newtonian mechanics to model and simulate the time evolution of particle trajectories in material science ensembles using a differentiable potential function. Although commercial and free packages exist for MD, their heuristic nature prevents dissection. This open-source C-language package arose out of the interest to study effects of embedded atoms in metallic face-centered cubic structures (fcc) on a standalone computer. The algorithms use velocity-time integration to output instantaneous particle parameters for up to several thousands of particles in the NVT ensemble. The functions are coded in a reusable and redistributable standalone header library file.

  7. TEM Video Compressive Sensing

    SciTech Connect

    Stevens, Andrew J.; Kovarik, Libor; Abellan, Patricia; Yuan, Xin; Carin, Lawrence; Browning, Nigel D.

    2015-08-02

    One of the main limitations of imaging at high spatial and temporal resolution during in-situ TEM experiments is the frame rate of the camera being used to image the dynamic process. While the recent development of direct detectors has provided the hardware to achieve frame rates approaching 0.1ms, the cameras are expensive and must replace existing detectors. In this paper, we examine the use of coded aperture compressive sensing methods [1, 2, 3, 4] to increase the framerate of any camera with simple, low-cost hardware modifications. The coded aperture approach allows multiple sub-frames to be coded and integrated into a single camera frame during the acquisition process, and then extracted upon readout using statistical compressive sensing inversion. Our simulations show that it should be possible to increase the speed of any camera by at least an order of magnitude. Compressive Sensing (CS) combines sensing and compression in one operation, and thus provides an approach that could further improve the temporal resolution while correspondingly reducing the electron dose rate. Because the signal is measured in a compressive manner, fewer total measurements are required. When applied to TEM video capture, compressive imaging couled improve acquisition speed and reduce the electron dose rate. CS is a recent concept, and has come to the forefront due the seminal work of Candès [5]. Since the publication of Candès, there has been enormous growth in the application of CS and development of CS variants. For electron microscopy applications, the concept of CS has also been recently applied to electron tomography [6], and reduction of electron dose in scanning transmission electron microscopy (STEM) imaging [7]. To demonstrate the applicability of coded aperture CS video reconstruction for atomic level imaging, we simulate compressive sensing on observations of Pd nanoparticles and Ag nanoparticles during exposure to high temperatures and other environmental

  8. Multimode Data-Compression System

    NASA Technical Reports Server (NTRS)

    Fang, Wai-Chi

    1996-01-01

    Data-compression system developed to satisfy need for high-speed, high-performance compression of data from sources as diverse as medical images, high-definition television images, audio signals, readouts from scientific instruments, and binary data files. Maximum data-transmission capability of communication channel or storage capacity of storage device multiplied by approximately compression ratio. Various combinations of lossless and lossy compression chosen to suit various data streams.

  9. Effect of Crystal Orientation on Analysis of Single-Crystal, Nickel-Based Turbine Blade Superalloys

    NASA Technical Reports Server (NTRS)

    Swanson, G. R.; Arakere, N. K.

    2000-01-01

    High-cycle fatigue-induced failures in turbine and turbopump blades is a pervasive problem. Single-crystal nickel turbine blades are used because of their superior creep, stress rupture, melt resistance, and thermomechanical fatigue capabilities. Single-crystal materials have highly orthotropic properties making the position of the crystal lattice relative to the part geometry a significant and complicating factor. A fatigue failure criterion based on the maximum shear stress amplitude on the 24 octahedral and 6 cube slip systems is presented for single-crystal nickel superalloys (FCC crystal). This criterion greatly reduces the scatter in uniaxial fatigue data for PWA 1493 at 1,200 F in air. Additionally, single-crystal turbine blades used in the Space Shuttle main engine high pressure fuel turbopump/alternate turbopump are modeled using a three-dimensional finite element (FE) model. This model accounts for material orthotrophy and crystal orientation. Fatigue life of the blade tip is computed using FE stress results and the failure criterion that was developed. Stress analysis results in the blade attachment region are also presented. Results demonstrate that control of crystallographic orientation has the potential to significantly increase a component's resistance to fatigue crack growth without adding additional weight or cost.

  10. Mechanistic principles of colloidal crystal growth by evaporation-induced convective steering.

    PubMed

    Brewer, Damien D; Allen, Joshua; Miller, Michael R; de Santos, Juan M; Kumar, Satish; Norris, David J; Tsapatsis, Michael; Scriven, L E

    2008-12-02

    We simulate evaporation-driven self-assembly of colloidal crystals using an equivalent network model. Relationships between a regular hexagonally close-packed array of hard, monodisperse spheres, the associated pore space, and selectivity mechanisms for face-centered cubic microstructure propagation are described. By accounting for contact line rearrangement and evaporation at a series of exposed menisci, the equivalent network model describes creeping flow of solvent into and through a rigid colloidal crystal. Observations concerning colloidal crystal growth are interpreted in terms of the convective steering hypothesis, which posits that solvent flow into and through the pore space of the crystal may play a major role in colloidal self-assembly. Aspects of the convective steering and deposition of high-Peclet-number rigid spherical particles at a crystal boundary are inferred from spatially resolved solvent flow into the crystal. Gradients in local flow through boundary channels were predicted due to the channels' spatial distribution relative to a pinned free surface contact line. On the basis of a uniform solvent and particle flux as the criterion for stability of a particular growth plane, these network simulations suggest the stability of a declining {311} crystal interface, a symmetry plane which exclusively propagates fcc microstructure. Network simulations of alternate crystal planes suggest preferential growth front evolution to the declining {311} interface, in consistent agreement with the proposed stability mechanism for preferential fcc microstructure propagation in convective assembly.

  11. Effects of crystal-melt interfacial energy anisotropy on dendritic morphology and growth kinetics

    NASA Technical Reports Server (NTRS)

    Glicksman, M. E.; Singh, N. B.

    1989-01-01

    Morphological and kinetic studies of succinonitrile, a BCC crystal with a low (0.5 percent) anisotropy and pivalic acid, and FCC crystal with relatively large (5 percent) anisotropy in solid-liquid interfacial energy, show clearly that anisotropy in the solid-liquid interfacial energy does not affect the tip radius-velocity relationship, but has a profound influence on the tip region and the rate of amplification of branching waves. Anisotropy of the solid-liquid interfacial energy may be one of the key factors by which the microstructural characteristics of cast structures reflect individual material behavior, especially crystal symmetry.

  12. Progressive transmission and compression images

    NASA Technical Reports Server (NTRS)

    Kiely, A. B.

    1996-01-01

    We describe an image data compression strategy featuring progressive transmission. The method exploits subband coding and arithmetic coding for compression. We analyze the Laplacian probability density, which closely approximates the statistics of individual subbands, to determine a strategy for ordering the compressed subband data in a way that improves rate-distortion performance. Results are presented for a test image.

  13. Compression of Ultrafast Laser Beams

    DTIC Science & Technology

    2016-03-01

    the theory, construction, and evaluation of 2 separate algorithms, a modified genetic algorithm and the multiphoton intrapulse interference phase...pulse compression was evaluated, and it was found that the MIIPS algorithm was superior to the genetic algorithm for pulse compression. 15...SUBJECT TERMS ultrafast lasers, pulse compression, genetic algorithm, MIIPS algorithm, pulse shaping, pulse shaper construction 16. SECURITY

  14. Predictive Encoding in Text Compression.

    ERIC Educational Resources Information Center

    Raita, Timo; Teuhola, Jukka

    1989-01-01

    Presents three text compression methods of increasing power and evaluates each based on the trade-off between compression gain and processing time. The advantages of using hash coding for speed and optimal arithmetic coding to successor information for compression gain are discussed. (26 references) (Author/CLB)

  15. Digital cinema video compression

    NASA Astrophysics Data System (ADS)

    Husak, Walter

    2003-05-01

    The Motion Picture Industry began a transition from film based distribution and projection to digital distribution and projection several years ago. Digital delivery and presentation offers the prospect to increase the quality of the theatrical experience for the audience, reduce distribution costs to the distributors, and create new business opportunities for the theater owners and the studios. Digital Cinema also presents an opportunity to provide increased flexibility and security of the movies for the content owners and the theater operators. Distribution of content via electronic means to theaters is unlike any of the traditional applications for video compression. The transition from film-based media to electronic media represents a paradigm shift in video compression techniques and applications that will be discussed in this paper.

  16. Modulating fcc and hcp Ruthenium on the Surface of Palladium-Copper Alloy through Tunable Lattice Mismatch.

    PubMed

    Yao, Yancai; He, Dong Sheng; Lin, Yue; Feng, Xiaoqian; Wang, Xin; Yin, Peiqun; Hong, Xun; Zhou, Gang; Wu, Yuen; Li, Yadong

    2016-04-25

    Herein, we report an epitaxial-growth-mediated method to grow face-centered cubic (fcc) Ru, which is thermodynamically unfavorable in the bulk form, on the surface of Pd-Cu alloy. Induced by the galvanic replacement between Ru and Pd-Cu alloy, a shape transformation from a Pd-Cu@Ru core-shell to a yolk-shell structure was observed during the epitaxial growth. The successful coating of the unconventional crystallographic structure is critically dependent on the moderate lattice mismatch between the fcc Ru overlayer and PdCu3 alloy substrate. Further, both fcc and hexagonal close packed (hcp) Ru can be selectively grown through varying the lattice spacing of the Pd-Cu substrate. The presented findings provide a new synthetic pathway to control the crystallographic structure of metal nanomaterials.

  17. Electronic structure and magnetism of strained bcc phases across the fcc to bcc transition in ultrathin Fe films

    NASA Astrophysics Data System (ADS)

    Calloni, Alberto; Berti, Giulia; Bussetti, Gianlorenzo; Fratesi, Guido; Finazzi, Marco; Ciccacci, Franco; Duò, Lamberto

    2016-11-01

    We investigated the electronic structure of the bcc metastable phases involved in the fcc to bcc transition of Fe. Ultrathin Fe films were grown on a 2-monolayer (ML) Ni/W(110) substrate, where a fcc lattice is stabilized at low Fe coverages and the transition proceeds through the formation of bcc nuclei showing a specific "Kurdjumov-Sachs" orientation with the substrate. A comprehensive description of the electronic structure evolution is achieved by combining spin-resolved UV photoemission spectroscopy and ab initio calculations. According to our results, an exchange-split band structure is observed starting from 2 ML of Fe, concomitant with the formation of ferromagnetic bcc nuclei. Continuous modifications are observed in the spin-resolved photoemission spectra for increasing Fe coverage, especially for what concerns the minority states, possibly indicative of the progressive relaxation of the strained bcc phase starting from the bcc/fcc interface.

  18. Interaction between Ni and HZSM-5 in aromatization-enhanced reactive adsorption desulfurization catalysts for FCC gasoline upgrading.

    PubMed

    Zhao, Jinchong; Zhang, Lulu; She, Nannan; Liu, Yunqi; Chai, Yongming; Liu, Chenguang

    A compound catalyst (RA) consisted of Ni, ZnO and HZSM-5 with functions of reactive adsorption desulfurization (RADS) and olefin aromatization for fluid catalytic cracking (FCC) gasoline upgrading was prepared. X-ray powder diffraction (XRD), temperature-programmed reduction and low-temperature N2 adsorption were used to characterize the properties of the catalysts. Performance evaluation by FCC gasoline was carried out, and the result showed that the catalyst RA performed well in desulfurization and aromatization. For comparison, RADS catalyst (represented by DS) consisted of Ni and ZnO and aromatization catalyst (represented by Ar) consisted of HZSM-5 were prepared, respectively. They were combined in different ways to help investigating interaction between Ni and HZSM-5. Performance evaluated by FCC gasoline showed that catalyst RA performed best in desulfurization with a slight octane number loss. Interaction between Ni and HZSM-5 is a significant factor which influences the performance of the catalyst.

  19. LatticeLibrary and BccFccRaycaster: Software for processing and viewing 3D data on optimal sampling lattices

    NASA Astrophysics Data System (ADS)

    Linnér, Elisabeth Schold; Morén, Max; Smed, Karl-Oskar; Nysjö, Johan; Strand, Robin

    In this paper, we present LatticeLibrary, a C++ library for general processing of 2D and 3D images sampled on arbitrary lattices. The current implementation supports the Cartesian Cubic (CC), Body-Centered Cubic (BCC) and Face-Centered Cubic (FCC) lattices, and is designed to facilitate addition of other sampling lattices. We also introduce BccFccRaycaster, a plugin for the existing volume renderer Voreen, making it possible to view CC, BCC and FCC data, using different interpolation methods, with the same application. The plugin supports nearest neighbor and trilinear interpolation at interactive frame rates. These tools will enable further studies of the possible advantages of non-Cartesian lattices in a wide range of research areas.

  20. Basic cluster compression algorithm

    NASA Technical Reports Server (NTRS)

    Hilbert, E. E.; Lee, J.

    1980-01-01

    Feature extraction and data compression of LANDSAT data is accomplished by BCCA program which reduces costs associated with transmitting, storing, distributing, and interpreting multispectral image data. Algorithm uses spatially local clustering to extract features from image data to describe spectral characteristics of data set. Approach requires only simple repetitive computations, and parallel processing can be used for very high data rates. Program is written in FORTRAN IV for batch execution and has been implemented on SEL 32/55.