Characterization of monoclinic crystals in tablets by pattern-fitting procedure using X-ray powder diffraction data.

PubMed

Yamamura, Shigeo; Momose, Yasunori

2003-06-18

The purpose of this study is to characterize the monoclinic crystals in tablets by using X-ray powder diffraction data and to evaluate the deformation feature of crystals during compression. The monoclinic crystals of acetaminophen and benzoic acid were used as the samples. The observed X-ray diffraction intensities were fitted to the analytic expression, and the fitting parameters, such as the lattice parameters, the peak-width parameters, the preferred orientation parameter and peak asymmetric parameter were optimized by a non-linear least-squares procedure. The Gauss and March distribution functions were used to correct the preferred orientation of crystallites in the tablet. The March function performed better in correcting the modification of diffraction intensity by preferred orientation of crystallites, suggesting that the crystallites in the tablets had fiber texture with axial orientation. Although a broadening of diffraction peaks was observed in acetaminophen tablets with an increase of compression pressure, little broadening was observed in the benzoic tablets. These results suggest that "acetaminophen is a material consolidating by fragmentation of crystalline particles and benzoic acid is a material consolidating by plastic deformation then occurred rearrangement of molecules during compression". A pattern-fitting procedure is the superior method for characterizing the crystalline drugs of monoclinic crystals in the tablets, as well as orthorhombic isoniazid and mannitol crystals reported in the previous paper.

Liesegang bands versus random crystallites in Ag2Cr2O7 - Single and mixed gelled media

NASA Astrophysics Data System (ADS)

Ibrahim, Huria; El-Rassy, Houssam; Sultan, Rabih

2018-02-01

Liesegang patterns of silver dichromate (Ag2Cr2O7) are studied in two different gel media: agar and gelatin, based on the work of Lagzi and Ueyama (2009). Whereas in gelatin, standard Liesegang bands are obtained as a result of the interdiffusion of Ag+ and Cr2 O72-, random crystallites with dendritic ramifications are observed in agar. We revisit this phenomenon and demonstrate the proposed mechanism, wherein dense heterogeneous nucleation in gelatin leads to Liesegang bands, as opposed to surface nucleation in agar yielding crystallites. We use viscosity, pH measurements, and notably scanning electron microscopy (SEM) in this endeavor.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Melo, M.; Araújo, E. B., E-mail: eudes@dfq.feis.unesp.br; Shvartsman, V. V.

Polycrystalline lanthanum lead zirconate titanate (PLZT) thin films were deposited on Pt/TiO{sub 2}/SiO{sub 2}/Si substrates to study the effects of the thickness and grain size on their structural and piezoresponse properties at nanoscale. Thinner PLZT films show a slight (100)-orientation tendency that tends to random orientation for the thicker film, while microstrain and crystallite size increases almost linearly with increasing thickness. Piezoresponse force microscopy and autocorrelation function technique were used to demonstrate the existence of local self-polarization effect and to study the thickness dependence of correlation length. The obtained results ruled out the bulk mechanisms and suggest that Schottky barriersmore » near the film-substrate are likely responsible for a build-in electric field in the films. Larger correlation length evidence that this build-in field increases the number of coexisting polarization directions in larger grains leading to an alignment of macrodomains in thinner films.« less

Characterization of low thermal conductivity PAN-based carbon fibers

NASA Technical Reports Server (NTRS)

Katzman, Howard A.; Adams, P. M.; Le, T. D.; Hemminger, Carl S.

1992-01-01

The microstructure and surface chemistry of eight low thermal conductivity (LTC) PAN-based carbon fibers were determined and compared with PAN-based fibers heat treated to higher temperatures. Based on wide-angle x ray diffraction, the LTC PAN fibers all appear to have a similar turbostratic structure with large 002 d-spacings, small crystallite sizes, and moderate preferred orientation. Limited small-angle x ray scattering (SAXS) results indicate that, with the exception of LTC fibers made by BASF, the LTC fibers do not have well developed pores. Transmission electron microscopy shows that the texture of the two LTC PAN-based fibers studied (Amoco T350/23X and /25X) consists of multiple sets of parallel, wavy, bent layers that interweave with each other forming a complex three dimensional network oriented randomly around the fiber axis. X ray photoelectron spectroscopy (XPS) analysis finds correlations between heat treated temperatures and the surface composition chemistry of the carbon fiber samples.

Analysis of the ceramic layer microstructure influence on plasma spray thermal barrier coating performance

NASA Astrophysics Data System (ADS)

Bogdanovich, V. I.; Giorbelidze, M. G.

2017-12-01

This paper outlines the results of analysis and describes the structure of the thermal protection coatings formed by atomic ion stream deposition in vacuum, and plasma thermal spraying method. Crystallite structure features are considered along with the crystallite dimensions, spatial orientation, and position of the boundaries between separate crystallites. Discontinuity, volume, and morphology of the pores has been evaluated. Experimental studies have been accomplished using various fractions of the powder-like material ZrO2 - 8%Y2O3. The influence of the coating microstructure on the coating performance has been analyzed, such as adhesive strength, thermal stability, and thermal conductivity.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zeng, Fan W.; Contescu, Cristian I.; Gallego, Nidia C.

Laser ultrasonic line source methods have been used to study elastic anisotropy in nuclear graphites by measuring shear wave birefringence. Depending on the manufacturing processes used during production, nuclear graphites can exhibit various degrees of material anisotropy related to preferred crystallite orientation and to microcracking. In this paper, laser ultrasonic line source measurements of shear wave birefringence on NBG-25 have been performed to assess elastic anisotropy. Laser line sources allow specific polarizations for shear waves to be transmitted – the corresponding wavespeeds can be used to compute bulk, elastic moduli that serve to quantify anisotropy. These modulus values can bemore » interpreted using physical property models based on orientation distribution coefficients and microcrack-modified, single crystal moduli to represent the combined effects of crystallite orientation and microcracking on material anisotropy. Finally, ultrasonic results are compared to and contrasted with measurements of anisotropy based on the coefficient of thermal expansion to show the relationship of results from these techniques.« less

Self-Limited Growth in Pentacene Thin Films

PubMed Central

2017-01-01

Pentacene is one of the most studied organic semiconducting materials. While many aspects of the film formation have already been identified in very thin films, this study provides new insight into the transition from the metastable thin-film phase to bulk phase polymorphs. This study focuses on the growth behavior of pentacene within thin films as a function of film thickness ranging from 20 to 300 nm. By employing various X-ray diffraction methods, combined with supporting atomic force microscopy investigations, one crystalline orientation for the thin-film phase is observed, while three differently tilted bulk phase orientations are found. First, bulk phase crystallites grow with their 00L planes parallel to the substrate surface; second, however, crystallites tilted by 0.75° with respect to the substrate are found, which clearly dominate the former in ratio; third, a different bulk phase polymorph with crystallites tilted by 21° is found. The transition from the thin-film phase to the bulk phase is rationalized by the nucleation of the latter at crystal facets of the thin-film-phase crystallites. This leads to a self-limiting growth of the thin-film phase and explains the thickness-dependent phase behavior observed in pentacene thin films, showing that a large amount of material is present in the bulk phase much earlier during the film growth than previously thought. PMID:28287698

Self-Limited Growth in Pentacene Thin Films.

PubMed

Pachmajer, Stefan; Jones, Andrew O F; Truger, Magdalena; Röthel, Christian; Salzmann, Ingo; Werzer, Oliver; Resel, Roland

2017-04-05

Pentacene is one of the most studied organic semiconducting materials. While many aspects of the film formation have already been identified in very thin films, this study provides new insight into the transition from the metastable thin-film phase to bulk phase polymorphs. This study focuses on the growth behavior of pentacene within thin films as a function of film thickness ranging from 20 to 300 nm. By employing various X-ray diffraction methods, combined with supporting atomic force microscopy investigations, one crystalline orientation for the thin-film phase is observed, while three differently tilted bulk phase orientations are found. First, bulk phase crystallites grow with their 00L planes parallel to the substrate surface; second, however, crystallites tilted by 0.75° with respect to the substrate are found, which clearly dominate the former in ratio; third, a different bulk phase polymorph with crystallites tilted by 21° is found. The transition from the thin-film phase to the bulk phase is rationalized by the nucleation of the latter at crystal facets of the thin-film-phase crystallites. This leads to a self-limiting growth of the thin-film phase and explains the thickness-dependent phase behavior observed in pentacene thin films, showing that a large amount of material is present in the bulk phase much earlier during the film growth than previously thought.

Molecular dynamics modeling of PPTA crystallite mechanical properties in the presence of defects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mercer, Brian; Zywicz, Edward; Papadopoulos, Panayiotis

Here, the mechanical properties of PPTA crystallites, the fundamental building blocks of aramid polymer fibers such as Kevlar® and Twaron®, are studied here using molecular dynamics simulations. The ReaxFF interatomic potential is employed to study crystallite failure via covalent and hydrogen bond rupture in constant strain-rate tensile loading simulations. Emphasis is placed on analyzing how chain-end defects in the crystallite influence its mechanical response and fracture strength. Chain-end defects are found to affect the behavior of nearby chains in a region of the PPTA crystallite that is small relative to the typical crystallite size in manufactured aramid fibers. The centralmore » Csingle bondN bond along the backbone chain is identified as the weakest in the PPTA polymer chain backbone in dynamic strain-to-failure simulations of the crystallite. It is found that clustering of chain-ends leads to reduced crystallite strength and crystallite failure via hydrogen bond rupture and chain sliding, whereas randomly scattered defects impact the strength less and failure is by covalent bond rupture and chain scission. The axial crystallite modulus increases with increasing chain length and is independent of chain-end defect locations. On the basis of these findings, a theoretical model is proposed to predict the axial modulus as a function of chain length.« less

Molecular dynamics modeling of PPTA crystallite mechanical properties in the presence of defects

DOE PAGES

Mercer, Brian; Zywicz, Edward; Papadopoulos, Panayiotis

2017-03-11

Here, the mechanical properties of PPTA crystallites, the fundamental building blocks of aramid polymer fibers such as Kevlar® and Twaron®, are studied here using molecular dynamics simulations. The ReaxFF interatomic potential is employed to study crystallite failure via covalent and hydrogen bond rupture in constant strain-rate tensile loading simulations. Emphasis is placed on analyzing how chain-end defects in the crystallite influence its mechanical response and fracture strength. Chain-end defects are found to affect the behavior of nearby chains in a region of the PPTA crystallite that is small relative to the typical crystallite size in manufactured aramid fibers. The centralmore » Csingle bondN bond along the backbone chain is identified as the weakest in the PPTA polymer chain backbone in dynamic strain-to-failure simulations of the crystallite. It is found that clustering of chain-ends leads to reduced crystallite strength and crystallite failure via hydrogen bond rupture and chain sliding, whereas randomly scattered defects impact the strength less and failure is by covalent bond rupture and chain scission. The axial crystallite modulus increases with increasing chain length and is independent of chain-end defect locations. On the basis of these findings, a theoretical model is proposed to predict the axial modulus as a function of chain length.« less

Study of the resonant frequencies of silicon microcantilevers coated with vanadium dioxide films during the insulator-to-metal transition

NASA Astrophysics Data System (ADS)

Rúa, Armando; Fernández, Félix E.; Hines, Melissa A.; Sepúlveda, Nelson

2010-03-01

Vanadium dioxide (VO2) thin films were grown on silicon microcantilevers and companion test substrates by pulsed laser deposition followed by in situ annealing in an oxidizing atmosphere, with annealing times used to control crystallite sizes. Annealing times of 18 min produced VO2 films with average crystallite sizes of ˜10 nm or less, while those annealed for 35 min had crystallites of average size ˜90 nm, comparable to sample thickness. X-ray diffraction and x-ray photoelectron spectroscopy studies of the samples showed that films with crystallite sizes ˜40 nm or greater consisted of substoichiometric VO2 in its monoclinic phase, with preferential orientation with (011) planes parallel to the sample surface, while finer structured samples had a substantially similar composition, but showed no clear evidence of preferential orientation and were probably partially amorphous. Forced vibration experiments were performed with the cantilevers as they were thermally cycled through the VO2 insulator-to-metal transition (IMT). Very large reversible changes in the resonant frequencies of up to 5% (3.6 kHz) as well as hysteretic behavior were observed, which depend strongly on film crystallite size. The average value of Young's modulus for VO2 films with crystallite sizes of ˜90 nm was estimated from the mechanical resonance data at room temperature to be ˜120 GPa, but the large tensile stresses which develop between film and substrate through the IMT impede a similar determination for the VO2 tetragonal phase, since the commonly used relationships for cantilever frequencies derived from elasticity theory are not applicable for strongly curved composite beams. The results presented show that VO2 thin films can be useful in novel microscale and nanoscale electromechanical resonators in which effective stiffness can be tuned thermally or optically. This response can provide additional functionality to VO2—based devices which take advantage of other property changes through the IMT.

Photovoltaic performance of block copolymer devices is independent of the crystalline texture in the active layer

DOE PAGES

Guo, Changhe; Lee, Youngmin; Lin, Yen -Hao; ...

2016-06-15

The electronic properties of organic semiconductors are strongly influenced by intermolecular packing. When cast as thin films, crystalline π-conjugated molecules are strongly textured, potentially leading to anisotropic charge transport. Consequently, it is hypothesized that the orientation of crystallites in the active layer plays an important role in charge extraction and organic photovoltaic device performance. Here we demonstrate orientation control of molecular packing from mostly face-on to edge-on configurations in the active layer of P3HT- b-PFTBT block copolymer photovoltaics using 1-chloronaphthalene as a solvent additive. The effect of molecular orientations in P3HT crystals on charge transport and solar cell performance ismore » examined. We find that optimized photovoltaic device performance is independent of the crystalline texture of P3HT. Our observations provide further insights into the molecular organization required for efficient charge transport and overall device efficiencies. That is, the dominant crystal orientation, whether face-on or edge-on, is not critical to organic solar cells. Furthermore, a broad distribution of crystallite orientations ensures pathways for charge transport in any direction and enables efficient charge extraction in photovoltaic devices.« less

Theory and application of laser ultrasonic shear wave birefringence measurements to the determination of microstructure orientation in transversely isotropic, polycrystalline graphite materials

DOE PAGES

Zeng, Fan W.; Contescu, Cristian I.; Gallego, Nidia C.; ...

2016-12-18

Laser ultrasonic line source methods have been used to study elastic anisotropy in nuclear graphites by measuring shear wave birefringence. Depending on the manufacturing processes used during production, nuclear graphites can exhibit various degrees of material anisotropy related to preferred crystallite orientation and to microcracking. In this paper, laser ultrasonic line source measurements of shear wave birefringence on NBG-25 have been performed to assess elastic anisotropy. Laser line sources allow specific polarizations for shear waves to be transmitted – the corresponding wavespeeds can be used to compute bulk, elastic moduli that serve to quantify anisotropy. These modulus values can bemore » interpreted using physical property models based on orientation distribution coefficients and microcrack-modified, single crystal moduli to represent the combined effects of crystallite orientation and microcracking on material anisotropy. Finally, ultrasonic results are compared to and contrasted with measurements of anisotropy based on the coefficient of thermal expansion to show the relationship of results from these techniques.« less

Control of crystallite orientation and size in Fe and FeCo nanoneedles.

PubMed

Mendoza-Reséndez, Raquel; Luna, Carlos; Barriga-Castro, Enrique Diaz; Bonville, Pierre; Serna, Carlos J

2012-06-08

Uniform magnetic nanoneedles have been prepared by hydrogen reduction of elongated nanoarchitectures. These precursors are as-prepared or cobalt-coated aggregates of highly oriented haematite nanocrystals (∼5 nm). The final materials are flattened nanoneedles formed by chains of assembled Fe or FeCo single-domain nanocrystals. The microstructural properties of such nanoneedles were tailored using renewed and improved synthetic strategies. In this fashion, the needle elongation and composition, the crystallite size (from 15 up to 30 nm), the nanocrystal orientation (with the 〈110〉 or 〈001〉 directions roughly along the long axis of the nanoneedle) and their type of arrangement (single chains, frustrated double chains and double chains) were controlled by modifying the reduction time, the axial ratio of the precursor haematite and the presence of additional coatings of aluminum or yttrium compounds. The values of the coercivity H(C) found for these nanoneedles are compared with the values predicted by the chain of spheres model assuming a symmetric fanning mechanism for magnetization reversal.

Ultrasonic Wave Properties in Bone Axis Direction of Bovine Cortical Bone

NASA Astrophysics Data System (ADS)

Yamamoto, Kazufumi; Yaoi, Yuichiro; Yamato, Yu; Yanagitan, Takahiko; Matsukawa, Mami; Yamazaki, Kaoru

2008-05-01

Quantitative ultrasonography (QUS) is a good method for measuring elastic properties of bone in vivo. Bovine cortical bone has two typical microstructures, plexiform and Haversian. In this study, the relationship between the speed of sound (SOS) and the hydroxyapatite (HAp) crystallite orientation in the axial direction was investigated in two different aged bovine cortical bones. The dependence of attenuation on anatomical position was also investigated. Two ring-permanent hyphen shaped cortical bone samples were obtained from 36- and 24-month-old bovine femurs. SOS was measured with a conventional ultrasonic pulse system. The integrated intensity of the (0002) peak obtained by X-ray diffraction was determine to evaluate the amount of preferred orientation. Regardless of the age of the bovine femurs, a significant correlation between SOS and the preferred orientation of HAp crystallites was observed in parts of the plexiform structure, and the gradient of the relationship showed a similar tendency. Attenuation seemed to depend on bone microstructure.

Crystal growth patterns in DC and pulsed plated galvanic copper films on (1 1 1), (1 0 0) and (1 1 0) copper surfaces

NASA Astrophysics Data System (ADS)

Brown, Delilah A.; Morgan, Sean; Peldzinski, Vera; Brüning, Ralf

2017-11-01

Copper films for printed circuit board applications have to be fine-grained to achieve even filling of vias. Electroplated Cu films on roll annealed Cu substrates may have unacceptably large epitaxial crystals. Here galvanic films were plated on oriented single-crystal Cu substrates from an additive-free electrolyte, as well as DC plating and pulse reverse (PR) plating with additives. The distribution of crystallite orientations was mapped with XRD and compared with the microstructure determined by SEM. For the additive-free bath on [1 1 1] and [1 0 0] oriented surfaces a gradual transition from epitaxial to polycrystalline is seen, while films on [1 1 0] substrates are persistently epitaxial. Without bath additives, twinning is the main mechanism for the transition to polycrystalline texture. For DC plating, additives (carriers, accelerators and levelers) promote fine-grained films with isotropic grain orientations, with films on [1 1 0] substrates being partially isotropic. Plating with carriers and accelerators (no leveler) yields films with many distinct crystallite orientations. These orientations result from up to five steps of recursive twinning. PR plating produces isotropic films with no or very few twins (〈1 1 1〉 and 〈1 0 0〉 substrates, respectively), while on 〈1 1 0〉 oriented surfaces the deposits are about 20% epitaxial.

Crystal orientation of PEO confined within the nanorod templated by AAO nanochannels.

PubMed

Liu, Chien-Liang; Chen, Hsin-Lung

2018-06-18

The orientation of poly(ethylene oxide) (PEO) crystallites developed in the nanochannels of anodic aluminum oxide (AAO) membrane has been investigated. PEO was filled homogeneously into the nanochannels in the melt state, and the crystallization confined within the PEO nanorod thus formed was allowed to take place subsequently at different temperatures. The effects of PEO molecular weight (MPEO), crystallization temperature (Tc) and AAO channel diameter (DAAO) on the crystal orientation attained in the nanorod were revealed by 2-D wide angle X-ray scattering (WAXS) patterns. In the nanochannels with DAAO = 23 nm, the crystallites formed from PEO with the lowest MPEO (= 3400 g mol-1) were found to adopt a predominantly perpendicular orientation with the crystalline stems aligning normal to the channel axis irrespective of Tc (ranging from -40 to 20 °C). Increasing MPEO or decreasing Tc tended to induce the development of the tilt orientation characterized by the tilt of the (120) plane by 45° from the channel axis. In the case of the highest MPEO (= 95 000 g mol-1) studied, both perpendicular and tilt orientations coexisted irrespective of Tc. Coexistent orientation was always observed in the channels with a larger diameter (DAAO = 89 nm) irrespective of MPEO and Tc. Compared with the previous results of the crystal orientation attained in nanotubes templated by the preferential wetting of the channel walls by PEO, the window of the perpendicular crystal orientation in the nanorod was much narrower due to its weaker confinement effect imposed on the crystal growth than that set by the nanotube.

Structural Effects of Gating Poly(3-hexylthiophene) through an Ionic Liquid

DOE PAGES

Guardado, Jesus O.; Salleo, Alberto

2017-07-17

Ionic liquids are increasingly employed as dielectrics to generate high charge densities and enable low-voltage operation with organic semiconductors. But, effects on structure and morphology of the active material are not fully known, particularly for permeable semiconductors such as conjugated polymers, in which ions from the ionic liquid can enter and electrochemically dope the semicrystalline film. In order to understand when ions enter, where they go, and how they affect the film, thin films of the archetypal semiconducting polymer, poly(3-hexylthiophene), are electrochemically doped with 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, the archetypal ionic liquid. High-resolution, ex situ X-ray diffraction measurements and complete pole figuresmore » reveal changes with applied voltage, cycling, and frequency in lattice spacing, crystallite orientation, and crystallinity in the bulk and at the buried interface. Dopant ions penetrate the film and enter the crystallites at sufficiently high voltages and low frequencies. Upon infiltrating crystallites, ions permanently expand lamellar stacking and contract pi-stacking. Cycling amplifies these effects, but higher frequencies mitigate the expansion of bulk crystallites as ions are hindered from entering crystallites. Furthermore, this mechanistic understanding of the structural effects of ion penetration will help develop models of the frequency and voltage impedance response of electrochemically doped conjugated polymers and advance electronic applications.« less

Structural Effects of Gating Poly(3-hexylthiophene) through an Ionic Liquid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guardado, Jesus O.; Salleo, Alberto

Ionic liquids are increasingly employed as dielectrics to generate high charge densities and enable low-voltage operation with organic semiconductors. But, effects on structure and morphology of the active material are not fully known, particularly for permeable semiconductors such as conjugated polymers, in which ions from the ionic liquid can enter and electrochemically dope the semicrystalline film. In order to understand when ions enter, where they go, and how they affect the film, thin films of the archetypal semiconducting polymer, poly(3-hexylthiophene), are electrochemically doped with 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, the archetypal ionic liquid. High-resolution, ex situ X-ray diffraction measurements and complete pole figuresmore » reveal changes with applied voltage, cycling, and frequency in lattice spacing, crystallite orientation, and crystallinity in the bulk and at the buried interface. Dopant ions penetrate the film and enter the crystallites at sufficiently high voltages and low frequencies. Upon infiltrating crystallites, ions permanently expand lamellar stacking and contract pi-stacking. Cycling amplifies these effects, but higher frequencies mitigate the expansion of bulk crystallites as ions are hindered from entering crystallites. Furthermore, this mechanistic understanding of the structural effects of ion penetration will help develop models of the frequency and voltage impedance response of electrochemically doped conjugated polymers and advance electronic applications.« less

Structure and Orientation Behavior of Highly Oriented Polymers Under Tensile and Compressive Stresses

NASA Astrophysics Data System (ADS)

Garcia-Ramirez, Rafael

The birefringence of Kevlar 49^ circler fibers has been shown to decrease with compressive strain, suggesting that structure changes under compression involve decreasing crystallite orientation. This mechanism appears to be the inverse of that occurring under tension, for which increasing crystallite orientation has been reported to occur, leading to non-linear elasticity. A contrast between the effects of both stress modes on structure (orientation) response is presented. While birefringence presents itself as a technically convenient and economically attractive technique for this type of study, caution must be exercised when interpreting results from measurements under stress. For highly crystalline fibers, experiments have led to the attribution of the observed changes in birefringence almost entirely to crystallite orientation. This study presents an analysis of the different contributions to birefringence under stress. X-ray diffraction experiments have been performed for Kevlar 49^ circler fibers under tensile stress. Results from crystal orientation cannot account for changes observed in birefringence. Moreover, they appear to account only for a small fraction of the total change. These observations suggest significant contributions from other sources. Theoretical calculations have been carried out under simulated stress conditions to quantify the effect of molecular deformation on the observed birefringence of Kevlar 49^circler fibers. The results have been obtained using semi-empirical molecular orbital calculations with the AM1 Hamiltonian in MOPAC. This analysis has been applied to poly(p^' -phenylene terephthalamide) (PPTA) and polyethylene (PE) chains. For PE, stress-free computations were performed on segments of up to 50 -(CH_2-CH _2)- units. Strains up to 1% were applied on segments of up to 40 units. For PPTA, segments of up to 5 PTA units were analyzed. Strain-free results indicate a linear dependence of molecular polarizability on chain length. The treatment yields also a linear trend for the effect of strain on the polarizability of PE segments. Thus, the calculations predict a plane in 3-D space for the dependence of molecular polarizability on both chain size and strain. The predicted molecular polarizabilities are used to evaluate the effect of stress on birefringence of the idealized polymers, by applying existing internal-field theory. Results indicate significant effects from molecules deforming under the stress field.

Microstructure anisotropy of nanocrystalline titanium produced by cryomechanical grain fragmentation

NASA Astrophysics Data System (ADS)

Pohribnaya, Yu. M.; Moskalenko, V. A.; Braude, I. S.

2018-05-01

Using X-ray diffraction analysis, a systematic study was undertaken of the parameters of the deformation microstructure formed in commercially pure VT1-0 titanium as a result of cryogenic rolling at a temperature of 77 K at different degrees of compression. In order to ascertain the anisotropy of the microstructure, a comparative analysis of diffraction patterns, dimensions of crystallites (coherent scattering regions) L and microdeformation values ⟨" separators="| ɛ2 ⟩ 1 / 2 in the rolling plane and in a plane perpendicular to the rolling direction was performed by comparison with the relative activity of deformation modes. As a result, anisotropy was detected in the distribution of integral intensities of diffraction peaks for mutually perpendicular planes. The established difference in the dimensions of crystallites in the rolling plane and in the plane perpendicular to the rolling direction indicates the shape anisotropy of the crystallites. The effect of morphological anisotropy of crystallites/grains is most pronounced for the nanocrystalline state. The observed complex variation in the microdeformation values ⟨" separators="| ɛ2 ⟩ 1 / 2 ( e ) with compression deformation is well correlated with relative slip and twinning activity, which affect the level of local internal stresses and the possibility of their relaxation. The observed anisotropy with respect to the magnitude of microdeformations may be attributed to the presence of oriented grain boundaries associated with the shape anisotropy of crystallites/grains.

Thermodynamics and mechanics of stretch-induced crystallization in rubbers

NASA Astrophysics Data System (ADS)

Guo, Qiang; Zaïri, Fahmi; Guo, Xinglin

2018-05-01

The aim of the present paper is to provide a quantitative prediction of the stretch-induced crystallization in natural rubber, the exclusive reason for its history-dependent thermomechanical features. A constitutive model based on a micromechanism inspired molecular chain approach is formulated within the context of the thermodynamic framework. The molecular configuration of the partially crystallized single chain is analyzed and calculated by means of some statistical mechanical methods. The random thermal oscillation of the crystal orientation, considered as a continuous random variable, is treated by means of a representative angle. The physical expression of the chain free energy is derived according to a two-step strategy by separating crystallization and stretching. This strategy ensures that the stretch-induced part of the thermodynamic crystallization force is null at the initial instant and allows, without any additional constraint, the formulation of a simple linear relationship for the crystallinity evolution law. The model contains very few physically interpretable material constants to simulate the complex mechanism: two chain-scale constants, one crystallinity kinetics constant, three thermodynamic constants related to the newly formed crystallites, and a function controlling the crystal orientation with respect to the chain. The model is used to discuss some important aspects of the micromechanism and the macroresponse under the equilibrium state and the nonequilibrium state involved during stretching and recovery, and continuous relaxation.

Crystallization Mechanism and Charge Carrier Transport in MAPLE-Deposited Conjugated Polymer Thin Films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dong, Ban Xuan; Strzalka, Joseph; Jiang, Zhang

Although spin casting and chemical surface reactions are the most common methods used for fabricating functional polymer films onto substrates, they are limited with regard to producing films of certain morphological characteristics on different wetting and nonwetting substrates. The matrix-assisted pulsed laser evaporation (MAPLE) technique offers advantages with regard to producing films of different morphologies on different types of substrates. Here, we provide a quantitative characterization, using X-ray diffraction and optical methods, to elucidate the additive growth mechanism of MAPLE-deposited poly(3-hexylthiophene) (P3HT) films on substrates that have undergone different surface treatments, enabling them to possess different wettabilities. We show thatmore » MAPLE-deposited films are composed of crystalline phases, wherein the overall P3HT aggregate size and crystallite coherence length increase with deposition time. A complete pole figure constructed from X-ray diffraction measurements reveals that in these MAPLE-deposited films, there exist two distinct crystallite populations: (i) highly oriented crystals that grow from the flat dielectric substrate and (ii) misoriented crystals that preferentially grow on top of the existing polymer layers. The growth of the highly oriented crystals is highly sensitive to the chemistry of the substrate, whereas the effect of substrate chemistry on misoriented crystal growth is weaker. The use of a self-assembled monolayer to treat the substrate greatly enhances the population and crystallite coherence length at the buried interfaces, particularly during the early stage of deposition. Furthermore, the evolution of the in-plane carrier mobilities during the course of deposition is consistent with the development of highly oriented crystals at the buried interface, suggesting that this interface plays a key role toward determining carrier transport in organic thin-film transistors.« less

Crystallization Mechanism and Charge Carrier Transport in MAPLE-Deposited Conjugated Polymer Thin Films

DOE PAGES

Dong, Ban Xuan; Strzalka, Joseph; Jiang, Zhang; ...

2017-11-23

Although spin casting and chemical surface reactions are the most common methods used for fabricating functional polymer films onto substrates, they are limited with regard to producing films of certain morphological characteristics on different wetting and nonwetting substrates. The matrix-assisted pulsed laser evaporation (MAPLE) technique offers advantages with regard to producing films of different morphologies on different types of substrates. Here, we provide a quantitative characterization, using X-ray diffraction and optical methods, to elucidate the additive growth mechanism of MAPLE-deposited poly(3-hexylthiophene) (P3HT) films on substrates that have undergone different surface treatments, enabling them to possess different wettabilities. We show thatmore » MAPLE-deposited films are composed of crystalline phases, wherein the overall P3HT aggregate size and crystallite coherence length increase with deposition time. A complete pole figure constructed from X-ray diffraction measurements reveals that in these MAPLE-deposited films, there exist two distinct crystallite populations: (i) highly oriented crystals that grow from the flat dielectric substrate and (ii) misoriented crystals that preferentially grow on top of the existing polymer layers. The growth of the highly oriented crystals is highly sensitive to the chemistry of the substrate, whereas the effect of substrate chemistry on misoriented crystal growth is weaker. The use of a self-assembled monolayer to treat the substrate greatly enhances the population and crystallite coherence length at the buried interfaces, particularly during the early stage of deposition. Furthermore, the evolution of the in-plane carrier mobilities during the course of deposition is consistent with the development of highly oriented crystals at the buried interface, suggesting that this interface plays a key role toward determining carrier transport in organic thin-film transistors.« less

Role of stacking disorder in ice nucleation

NASA Astrophysics Data System (ADS)

Lupi, Laura; Hudait, Arpa; Peters, Baron; Grünwald, Michael; Gotchy Mullen, Ryan; Nguyen, Andrew H.; Molinero, Valeria

2017-11-01

The freezing of water affects the processes that determine Earth’s climate. Therefore, accurate weather and climate forecasts hinge on good predictions of ice nucleation rates. Such rate predictions are based on extrapolations using classical nucleation theory, which assumes that the structure of nanometre-sized ice crystallites corresponds to that of hexagonal ice, the thermodynamically stable form of bulk ice. However, simulations with various water models find that ice nucleated and grown under atmospheric temperatures is at all sizes stacking-disordered, consisting of random sequences of cubic and hexagonal ice layers. This implies that stacking-disordered ice crystallites either are more stable than hexagonal ice crystallites or form because of non-equilibrium dynamical effects. Both scenarios challenge central tenets of classical nucleation theory. Here we use rare-event sampling and free energy calculations with the mW water model to show that the entropy of mixing cubic and hexagonal layers makes stacking-disordered ice the stable phase for crystallites up to a size of at least 100,000 molecules. We find that stacking-disordered critical crystallites at 230 kelvin are about 14 kilojoules per mole of crystallite more stable than hexagonal crystallites, making their ice nucleation rates more than three orders of magnitude higher than predicted by classical nucleation theory. This effect on nucleation rates is temperature dependent, being the most pronounced at the warmest conditions, and should affect the modelling of cloud formation and ice particle numbers, which are very sensitive to the temperature dependence of ice nucleation rates. We conclude that classical nucleation theory needs to be corrected to include the dependence of the crystallization driving force on the size of the ice crystallite when interpreting and extrapolating ice nucleation rates from experimental laboratory conditions to the temperatures that occur in clouds.

Role of stacking disorder in ice nucleation.

PubMed

Lupi, Laura; Hudait, Arpa; Peters, Baron; Grünwald, Michael; Gotchy Mullen, Ryan; Nguyen, Andrew H; Molinero, Valeria

2017-11-08

The freezing of water affects the processes that determine Earth's climate. Therefore, accurate weather and climate forecasts hinge on good predictions of ice nucleation rates. Such rate predictions are based on extrapolations using classical nucleation theory, which assumes that the structure of nanometre-sized ice crystallites corresponds to that of hexagonal ice, the thermodynamically stable form of bulk ice. However, simulations with various water models find that ice nucleated and grown under atmospheric temperatures is at all sizes stacking-disordered, consisting of random sequences of cubic and hexagonal ice layers. This implies that stacking-disordered ice crystallites either are more stable than hexagonal ice crystallites or form because of non-equilibrium dynamical effects. Both scenarios challenge central tenets of classical nucleation theory. Here we use rare-event sampling and free energy calculations with the mW water model to show that the entropy of mixing cubic and hexagonal layers makes stacking-disordered ice the stable phase for crystallites up to a size of at least 100,000 molecules. We find that stacking-disordered critical crystallites at 230 kelvin are about 14 kilojoules per mole of crystallite more stable than hexagonal crystallites, making their ice nucleation rates more than three orders of magnitude higher than predicted by classical nucleation theory. This effect on nucleation rates is temperature dependent, being the most pronounced at the warmest conditions, and should affect the modelling of cloud formation and ice particle numbers, which are very sensitive to the temperature dependence of ice nucleation rates. We conclude that classical nucleation theory needs to be corrected to include the dependence of the crystallization driving force on the size of the ice crystallite when interpreting and extrapolating ice nucleation rates from experimental laboratory conditions to the temperatures that occur in clouds.

Mapping the spatial and temporal progression of human dental enamel biomineralization using synchrotron X-ray diffraction.

PubMed

Simmons, Lisa M; Montgomery, Janet; Beaumont, Julia; Davis, Graham R; Al-Jawad, Maisoon

2013-11-01

The complex biological, physicochemical process of human dental enamel formation begins in utero and for most teeth takes several years to complete. Lost enamel tissue cannot regenerate, therefore a better understanding of the spatial and temporal progression of mineralization of this tissue is needed in order to design improved in vivo mineral growth processes for regenerative dentistry and allow the possibility to grow a synthetic whole or partial tooth. Human dental enamel samples across a range of developmental stages available through archaeological collections have been used to explore the spatial and temporal progression of enamel biomineralization. Position sensitive synchrotron X-ray diffraction was used to quantify spatial and temporal variations in crystallite organization, lattice parameters and crystallite thickness at three different stages in enamel maturation. In addition X-ray microtomography was used to study mineral content distributions. An inverse correlation was found between the spatial variation in mineral content and the distribution of crystallite organization and thickness as a function of time during enamel maturation. Combined X-ray microtomography and synchrotron X-ray diffraction results show that as enamel matures the mineral content increases and the mineral density distribution becomes more homogeneous. Starting concurrently but proceeding at a slower rate, the enamel crystallites become more oriented and larger; and the crystallite organization becomes spatially more complex and heterogeneous. During the mineralization of human dental enamel, the rate of mineral formation and mineral organization are not identical. Whilst the processes start simultaneously, full mineral content is achieved earlier, and crystallite organization is slower and continues for longer. These findings provide detailed insights into mineral development in human dental enamel which can inform synthetic biomimetic approaches for the benefit of clinical dentistry. Copyright © 2013 Elsevier Ltd. All rights reserved.

Hierarchical and non-hierarchical mineralisation of collagen

PubMed Central

Liu, Yan; Kim, Young-Kyung; Dai, Lin; Li, Nan; Khan, Sara; Pashley, David H.; Tay, Franklin R.

2010-01-01

Biomineralisation of collagen involves functional motifs incorporated in extracellular matrix protein molecules to accomplish the objectives of stabilising amorphous calcium phosphate into nanoprecursors and directing the nucleation and growth of apatite within collagen fibrils. Here we report the use of small inorganic polyphosphate molecules to template hierarchical intrafibrillar apatite assembly in reconstituted collagen in the presence of polyacrylic acid to sequester calcium and phosphate into transient amorphous nanophases. The use of polyphosphate without a sequestration analogue resulted only in randomly-oriented extrafibrillar precipitations along the fibrillar surface. Conversely, the use of polyacrylic acid without a templating analogue resulted only in non-hierarchical intrafibrillar mineralisation with continuous apatite strands instead of discrete crystallites. The ability of using simple non-protein molecules to recapitulate different levels of structural hierarchy in mineralised collagen signifies the ultimate simplicity in Nature’s biomineralisation design principles and challenges the need for using more complex recombinant matrix proteins in bioengineering applications. PMID:21040969

Preferred Orientation of Rare Earth (RE)-Doped Alumina Crystallites by an Applied Magnetic Field

DTIC Science & Technology

2016-06-01

Magnetic Field by Victoria L Blair, Raymond E Brennan, and Jane W Adams Weapons and Materials Research Directorate, ARL Carli A Moorehead...public release; distribution is unlimited. 16 13. Terada N, Suzuki HS, Suzuki TS, Kitazawa H, Sakka Y, Kaneko K, Metok N. In situ neutron diffraction...HS, Suzuki TS, Kitazawa H, Sakka Y, Kaneko K, Metoki N. Neutron diffraction texture analysis for alpha-Al2O3 oriented by high magnetic field and

White random lasing in mixture of ZnSe, CdS and CdSSe micropowders

NASA Astrophysics Data System (ADS)

Alyamani, A. Y.; Leanenia, M. S.; Alanazi, L. M.; Aljohani, M. M.; Aljariwi, A. A.; Rzheutski, M. V.; Lutsenko, E. V.; Yablonskii, G. P.

2016-03-01

Room temperature random lasing with white light emission in a mixture of AIIBVI semiconductor powders was achieved for the first time. The scattering gain media was formed by the mixture of closely packed active micron sized crystallites of ZnSe, CdS, CdSSe semiconductors. The micropowders were produced by grinding bulk crystals of each compound. Optical excitation was performed by 10-nanosecond pulses of tuned Ti:Al2O3-laser at 390 nm. The lasing in the mixture of semiconductor powders was achieved simultaneously at four wavelengths in blue, green, yellow and red spectral regions after exceeding the threshold excitation power density. A drastic integral intensity increase, spectrum narrowing and appearance of mode structure accompanied the laser action. ZnSe crystallites produce the laser light at about 460 nm while CdS particles - at about 520 nm. Two types of CdSSe semiconductor micropowders with different sulfur content lase at 580 nm and 660 nm. The threshold excitation power densities for all laser lines in the emission spectrum are approximately the same of about 0.9 MW/cm2. The sum of the emission spectrum of the mixture of the micropowders forms white light with high brightness. Lasing is due to an appearance of random feedback for amplified radiation in the active medium of closely packed light scattering crystallites. The presented results may find their applications for visualization systems, lighting technology, data transmission, medicine as biosensors and in identification systems. The key feature of random lasers is low cost of its production and possibility to be deposited on any type of surface.

Structure-Processing Relationships in Solution Processable Polymer Thin Film Transistors and Small Molecule Bulk Heterojunction Solar Cells

NASA Astrophysics Data System (ADS)

Perez, Louis A.

A regio-regular (RR) conjugated copolymer based on cyclopenta[2,1-b:3,4- b]dithiophene (CDT) and pyridal[2,1,3]thiadiazole (PT) structural units was prepared by using polymerization reactions involving reactants specifically designed to avoid random orientation of the asymmetric PT heterocycle. Compared to its regio-irregular (RI) counterpart, the RR polymer exhibits a two orders of magnitude increase in hole mobility from 0.005 to 0.6 cm2V -1s-1. To probe the reason for this difference in mobility, we examined the crystalline structure and its orientation in thin films of both copolymers as a function of depth via grazing incidence wide angle X-ray scattering (GIWAXS). In the RI film, the pi-pi stacking direction of the crystallites is mainly perpendicular to the substrate normal (edge-on orientation) while in the RR film the crystallites adopt a mixed pi-pi stacking orientation in the center of the film as well as near the interface between the polymer and the dielectric layer. These results demonstrate that control of backbone regularity is another important design criterion to consider in the synthesis and optimization of new conjugated copolymers with asymmetric structural units. Solution processed organic photovoltaic devices (OPVs) have emerged as a promising sustainable energy technology due to their ease of fabrication, potential to enable low-cost manufacturing, and ability to be incorporated onto light-weight flexible substrates. To date, the most efficacious OPV device architecture, the bulk heterojunction (BHJ), consists of a blend of a light-harvesting conjugated organic electron donating molecule and a strong electron-accepting compound (usually a soluble fullerene derivative e.g. [6,6]-phenyl C71 butyric acid methyl ester (PC71BM). BHJ layer morphology, which has been shown to be highly dependent on processing, has a significant effect on OPV performance. It is postulated that optimal BHJ morphologies consist of discrete bicontinuous nanoscale domains of each moiety, on the order of the exciton diffusion length, which extend vertically from each electrode, thereby increasing the surface area of the domains and forming continuous conducting pathways for efficient charge extraction and transfer. An optimal morphology, however, is seldom achieved during film formation; therefore, a number of processing techniques, such as thermal and sol vent annealing, and the addition of solvent additives to the casting solution have been explored to control the morphology in order to attain the multiple structural requirements. Solvent additive processing, a technique that is used in most record performing polymer:fullerene BHJ solar cell devices, involves the addition of small volumes of a high boiling point liquid to the BHJ casting solu- tion. Solvent additive processing, with 1,8-diiodooctane (DIO) as the additive, has recently been employed in solution processable small molecule (SPSM) BHJ systems, showing similar drastic effects on several device metrics and ultimately the power conversion efficiency (PCE). A recent SPSM study delineates how the volume of solvent additive used affects device performance: when 0.4 v/v% of DIO was used, the PCE increased from 1.8 to 7%, while a deterioration in the PCE to less than 1% occurred when only 1 v/v% of DIO was used. Several structural characterization techniques, such as grazing incidence wide and small-angle X-ray scattering (GIWAXS and GISAXS), and energy filtered transmission electron microscopy (EF-TEM), were used to investigate structure-processing-property relationships in additive-treated SPSM BHJ films and were correlated to device performance. Scattering experiments showed that the use of additives had several effects on the structure of the BHJ at multiple length scales: e.g. the number and orientation of SPSM crystallites, different pi-pi stacking distances, and the nano-scale domain size. Additionally, EF-TEM further verified the effect of additives on the domain size and was complemented with tomographic reconstructions to provide a 3D representation of the BHJ morphology due to solvent additive processing. Finally, in situ GIWAXS was also performed to investigate the kinetics of crystallite formation during and shortly after spin-casting. The additive was shown to induce a complex structural evolution effect on the microstructure of SPSMs by inciting the formation of a metastable polymorph and enhanced crystalline quality of the SPSM during and shortly after casting, whereas the non-additive treated SPSM structure was static after initial crystallite formation. The results from this study have important implications for future optimization and design of solvent additive processed SPSM BHJ blends for OPV devices.

Correlating sampling and intensity statistics in nanoparticle diffraction experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Öztürk, Hande; Yan, Hanfei; Hill, John P.

2015-07-28

It is shown in a previous article [Öztürk, Yan, Hill & Noyan (2014).J. Appl. Cryst.47, 1016–1025] that the sampling statistics of diffracting particle populations within a polycrystalline ensemble depended on the size of the constituent crystallites: broad X-ray peak breadths enabled some nano-sized particles to contribute more than one diffraction spot to Debye–Scherrer rings. Here it is shown that the equations proposed by Alexander, Klug & Kummer [J. Appl. Phys.(1948),19, 742–753] (AKK) to link diffracting particle and diffracted intensity statistics are not applicable if the constituent crystallites of the powder are below 10 nm. In this size range, (i) themore » one-to-one correspondence between diffracting particles and Laue spots assumed in the AKK analysis is not satisfied, and (ii) the crystallographic correlation between Laue spots originating from the same grain invalidates the assumption that all diffracting plane normals are randomly oriented and uncorrelated. Such correlation produces unexpected results in the selection of diffracting grains. For example, three or more Laue spots from a given grain for a particular reflection can only be observed at certain wavelengths. In addition, correcting the diffracted intensity values by the traditional Lorentz term, 1/cos θ, to compensate for the variation of particles sampled within a reflection band does not maintain fidelity to the number of poles contributing to the diffracted signal. A new term, cos θ B/cos θ, corrects this problem.« less

Correlating Sampling and Intensity Statistics in Nanoparticle Diffraction Experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ozturk, Hande; Yan, Hanfei; Hill, John P.

2015-08-01

In this article, [Öztürk, Yan, Hill & Noyan (2014). J. Appl. Cryst. 47, 1016-1025] it was shown that the sampling statistics of diffracting particle populations within a polycrystalline ensemble depended on the size of the constituent crystallites: broad X-ray peak breadths enabled some nano-sized particles to contribute more than one diffraction spot to Debye-Scherrer rings. Here it is shown that the equations proposed by Alexander, Klug & Kummer [J. Appl. Phys. (1948), 19, 742-753] (AKK) to link diffracting particle and diffracted intensity statistics are not applicable if the constituent crystallites of the powder are below 10 nm. In this sizemore » range, (i) the one-to-one correspondence between diffracting particles and Laue spots assumed in the AKK analysis is not satisfied, and (ii) the crystallographic correlation between Laue spots originating from the same grain invalidates the assumption that all diffracting plane normals are randomly oriented and uncorrelated. Such correlation produces unexpected results in the selection of diffracting grains. Three or more Laue spots from a given grain for a particular reflection can only be observed at certain wavelengths. In addition, correcting the diffracted intensity values by the traditional Lorentz term, 1/cos [theta], to compensate for the variation of particles sampled within a reflection band does not maintain fidelity to the number of poles contributing to the diffracted signal. A new term, cos [theta]B/cos [theta], corrects this problem.« less

Implications of Orientation in Sheared Cocoa Butter

NASA Astrophysics Data System (ADS)

Guthrie, Sarah E.; Mazzanti, Gianfranco; Marangoni, Alejandro; Idziak, Stefan H. J.

2004-03-01

We will present x-ray and mechanical studies of oriented phases of cocoa butter. The structural elements of foods play an important role in determining such things as quality and shelf stability. The specific structure and properties of cocoa butter, however, are complicated due to the ability of the cocoa butter to form crystals in six polymorphic forms. Recent work has shown that the application of shear not only accelerates the transitions to more stable polymorphs, but also causes orientation of the crystallites[1]. The implications of orientation on the structures formed under conditions of shear and cooling will be described using x-ray diffraction and mechanical measurements. 1 G. Mazzanti, S. E. Guthrie, E. B. Sirota et al., Crystal Growth & Design 3 (5), 721 (2003).

Influence of solution deposition rate on properties of V2O5 thin films deposited by spray pyrolysis technique

NASA Astrophysics Data System (ADS)

Abd-Alghafour, N. M.; Ahmed, Naser M.; Hassan, Zai; Mohammad, Sabah M.

2016-07-01

Vanadium oxide (V2O5) thin films were deposited on glass substrates by using a cost-efficient spray pyrolysis technique. The films were grown at 350° through thermal decomposition of VCl3 in deionized water with different solution spray rates. The high resolution X-ray diffraction results revealed the formation of nanocrystalline films having orthorhombic structures with preferential orientation along (101) direction. The spray rate influenced the surface morphology and crystallite size of the films. The crystallite size was found to increase whereas the micro-strain was decreased by increasing the spray deposition rates. The increase in crystallite size and decrease in the macrostrain resulted in an improvement in the films' crystallinity. The UV-Visible spectroscopy analysis indicated that the average transmittance of all films lies in the range 75-80 %. The band gap of V2O5 film was decreased from 2.65 to 2.46 eV with increase of the spray deposition rate from 5 ml/min to 10 ml/min. first, second, and third level headings (first level heading).

The processes of formation and epitaxial alignment of SrTiO3 thin films prepared by metallo-organic decomposition

NASA Astrophysics Data System (ADS)

Braunstein, G.; Paz-Pujalt, G. R.; Mason, M. G.; Blanton, T.; Barnes, C. L.; Margevich, D.

1993-01-01

The processes of formation and crystallization of thin films of SrTiO3 prepared by the method of metallo-organic decomposition have been studied with particular emphasis on the relationship between the thermal decomposition of the metallo-organic precursors and the eventual epitaxial alignment of the crystallized films. The films are deposited by spin coating onto single-crystalline silicon and SrTiO3 substrates, pyrolyzed on a hot plate at temperatures ranging from 200 to 450 °C, and subsequently heat treated in a quartz tube furnace at temperatures ranging from 300 to 1200 °C. Heat treatment at temperatures up to 450-500 °C results in the evaporation of solvents and other organic addenda, thermal decomposition of the metallo-organic (primarily metal-carboxylates) precursors, and formation of a carbonate species. This carbonate appears to be an intermediate phase in the reaction of SrCO3 and TiO2 to form SrTiO3. Relevant to this work is the fact that the carbonate species exhibits diffraction lines, indicating the formation of grains that can serve as seeds for the nucleation and growth of randomly oriented SrTiO3 crystallites, thereby leading to a polycrystalline film. Deposition on silicon substrates indeed results in the formation of polycrystalline SrTiO3. However, when the precursor solution is deposited on single-crystalline SrTiO3 substrates, the crystallization process involves a competition between two mechanisms: the random nucleation and growth of crystallites just described, and layer-by-layer solid phase epitaxy. Epitaxial alignment on SrTiO3 substrates can be achieved when the samples are heat treated at temperatures of 1100-1200 °C or at temperatures as low as 600-650 °C when the substrate is heated to about 1100 °C before spin coating.

Epitaxial growth of lithium fluoride on the (1 1 1) surface of CaF 2

NASA Astrophysics Data System (ADS)

Klumpp, St; Dabringhaus, H.

1999-08-01

Growth of lithium fluoride by molecular beam epitaxy on the (1 1 1) surface of calcium fluoride crystals was studied by TEM and LEED for crystal temperatures from 400 to 773 K and impinging lithium fluoride fluxes from 3×10 11 to 3×10 14 cm -2 s -1. Growth starts, usually, at the <1 1 0> steps on the (1 1 1) surface of CaF 2. For larger step distances and at later growth stages also growth on the terraces between the steps is found. Preferably, longish, roof-like crystallites are formed, which can be interpreted by growth of LiF(2 0 1¯)[0 1 0] parallel to CaF 2(1 1 1)[ 1¯ 0 1]. To a lesser extent square crystallites, i.e. growth with LiF(0 0 1), and, rarely, three-folded pyramidal crystallites, i.e. growth with LiF(1 1 1) parallel to CaF 2(1 1 1), are observed. While the pyramidal crystallites show strict epitaxial orientation with LiF[ 1¯ 0 1]‖CaF 2[ 1¯ 0 1] and LiF[ 1¯ 0 1]‖CaF 2[1 2¯ 1], only about 80% of the square crystallites exhibit an epitaxial alignment, where LiF[1 0 0]‖CaF 2[ 1¯ 0 1] is preferred to LiF[1 1 0]‖CaF 2[ 1¯ 0 1]. The epitaxial relationships are discussed on the basis of theoretically calculated adsorption positions of the lithium fluoride monomer and dimer on the terrace and at the steps of the CaF 2(1 1 1) surface.

An Improved X-ray Diffraction Method For Cellulose Crystallinity Measurement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ju, Xiaohui; Bowden, Mark E.; Brown, Elvie E.

2015-06-01

We show in this work a modified X-ray diffraction method to determine cellulose crystallinity index (CrI). Nanocrystalline cellulose (NCC) dervided from bleached wood pulp was used as a model substrate. Rietveld refinement was applied with consideration of March-Dollase preferred orientation at the (001) plane. In contrast to most previous methods, three distinct amorphous peaks identified from new model samples which are used to calculate CrI. A 2 theta range from 10° to 75° was found to be more suitable to determine CrI and crystallite structural parameters such as d-spacing and crystallite size. This method enables a more reliable measurement ofmore » CrI of cellulose and may be applicable to other types of cellulose polymorphs.« less

Effect of annealing on structure, morphology and optoelectronic properties of nanocrystalline CuO thin films

NASA Astrophysics Data System (ADS)

Jundale, D. M.; Pawar, S. G.; Patil, S. L.; Chougule, M. A.; Godse, P. R.; Patil, V. B.

2011-10-01

The nanocrystalline CuO thin films were prepared on glass substrates by the sol-gel method. The structural, morphological, electrical and optical properties of CuO thin films, submitted to an annealing treatment in the 400-700 °C ranges are studied by X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), Four Probe Technique and UV-visible spectroscopic. XRD measurements show that all the films are crystallized in the monoclinic phase and present a random orientation. Four prominent peaks, corresponding to the (110) phase (2θ≈32.70°), (002) phase (2θ≈35.70°), (111) phase (2θ≈38.76°) and (202) phase (2θ≈49.06°) appear on the diffractograms. The crystallite size increases with increasing annealing temperature. These modifications influence the microstructure, electrical and optical properties. The optical band gap energy decreases with increasing annealing temperature. These mean that the optical quality of CuO films is improved by annealing.

ESR investigations on γ-ray irradiated 3-methyl nylon 3

NASA Astrophysics Data System (ADS)

Catiker, Efkan; Guven, Olgun; Ozarslan, Ozdemir; Chipara, Mircea

2008-06-01

Electron spin resonance spectroscopy investigations on γ irradiated 3-methyl nylon 3 (poly-3-methyl β-alanine) are reported. The resonance spectra (recorded after the irradiation in nitrogen atmosphere has been stopped) have been attributed to the parallel and perpendicular components of a triplet line assigned to the delocalization of the uncoupled electron over an effective nuclear spin 1. It was suggested that this effective spin arises from the fast tunneling/rotation of a proton between two positions. The resonance spectra have been simulated with accuracy by using a simplified spin Hamiltonian and assuming Lorentzian-like resonance line shapes and axial asymmetry of the resonance line due to the trapping of free radicals in randomly oriented crystallites. The time evolution of free radicals in nitrogen atmosphere at room temperature has been analyzed. The decay kinetics of stable free radicals in 3-methyl nylon 3 (under inert atmosphere) has been investigated. It was shown that the radiation-induced radicals in inert atmosphere decay through a unimolecular reaction.

Carbon Materials Research

DTIC Science & Technology

2006-08-01

carbon would be highly oriented pyrolytic graphite ( HOPG ), which is formed by depositing one atom at a time on a surface utilizing the pyrolysis of a... of the crystallites, and baking to 2800 K produces a polycrystalline graphite part that has high strength and conductivity. To make isotropic...pitch fibers) or flexible (Graphoil®), as well as anisotropic ( HOPG ) or isotropic ( polycrystalline graphite ). In addition, porosity, lubricity

Structural hysteresis in dragline spider silks induced by supercontraction: an X-ray fiber micro-diffraction study

DOE PAGES

Sampath, Sujatha; Yarger, Jeffery L.

2014-11-27

Interaction with water causes shrinkage and significant changes in the structure of spider dragline silks, which has been referred to as supercontraction in the literature. Preferred orientation or alignment of protein chains with respect to the fiber axis is extensively changed during this supercontraction process. Synchrotron X-ray micro-fiber diffraction experiments have been performed on Nephila clavipes and Argiope aurantia major and minor ampullate dragline spider fibers in the native dry, contracted (by immersion in water) and restretched (from contracted) states. Changes in the orientation of β-sheet nanocrystallites and the oriented component of the amorphous network have been determined from wide-anglemore » X-ray diffraction patterns. While both the crystalline and amorphous components lose preferred orientation on wetting with water, the nano-crystallites regain their orientation on wet-restretching, whereas the oriented amorphous components only partially regain their orientation. Dragline major ampullate silks in both the species contract more than their minor ampullate silks.« less

Biomineralization: Some complex crystallite-oriented skeletal structures.

PubMed

Sahni, Ashok

2013-12-01

The present review focuses on some specific aspects of biomineralization with regard to the evolution of the first focused visioning systems in trilobites, the formation of molluscan shell architecture, dental enamel and its biomechanical properties and the structure of the calcified amniote egg, both fossil and recent. As an interdisciplinary field, biomineralization deals with the formation, structure and mechanical strength of mineralized skeletonized tissue secreted by organisms. Mineral matter formed in this way occurs in all three domains of life and consists of several mineral varieties, of which carbonates, phosphates and opaline silica are the most common. Animals and plants need mechanical support to counteract gravitational forces on land and hydrostatic pressure in the deep ocean, which is provided by a skeletonized framework. Skeleton architecture mainly consists of basic elements represented by small usually micrometer- to nanometer-sized crystallites of calcite and aragonite for carbonate systems and apatite crystallites for phosphatic ones, and then these building blocks develop into structured more complex frameworks. As selective pressures work towards optimizing stress and response, the orientation, morphology and structural arrangement of the crystallites indicates the distribution of the stress field of the biomineralized tissue. Large animals such as the dinosaurs have to deal with large gravitational forces, but in much smaller skeletonized organism such as the coccoliths, a few micrometer in diameter made up of even smaller individual crystallites, van der Waals forces play an increasingly important role and are at present poorly understood. Skeleton formation is dependent upon many factors including ambient water chemistry, temperature and environment. Ocean chemistry has played a vital role in the origins of skeletonization, 500 to 600 million years (ma) ago with the dominance of calcium carbonate as the principal skeleton-forming tissue and with phosphates and silica as important but secondary materials. The preservation of calcareous skeletons in deep time has resulted in providing interesting information: for example, the number of days in the Devonian year has been established on the basis of well-preserved lunar (annual) cycles, and isotope chemistry has led to an elaborate protocol for using O18/O16 stable isotopes for palaeotemperature measurements in the geological past. Stable isotopes of dental apatite have helped to establish ecological shifts (terrestrial to wholly marine) during the evolution of the Cetacea. Biomineralization as a field of specialization is still searching for its own independent identity, but gradually, its importance is being realized as a model for engineering applications especially at the nanometer scale.

Influence of solution deposition rate on properties of V{sub 2}O{sub 5} thin films deposited by spray pyrolysis technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abd–Alghafour, N. M., E-mail: na2013bil@gmail.com; Ahmed, Naser M.; Hassan, Zai

Vanadium oxide (V{sub 2}O{sub 5}) thin films were deposited on glass substrates by using a cost-efficient spray pyrolysis technique. The films were grown at 350° through thermal decomposition of VCl{sub 3} in deionized water with different solution spray rates. The high resolution X-ray diffraction results revealed the formation of nanocrystalline films having orthorhombic structures with preferential orientation along (101) direction. The spray rate influenced the surface morphology and crystallite size of the films. The crystallite size was found to increase whereas the micro-strain was decreased by increasing the spray deposition rates. The increase in crystallite size and decrease in themore » macrostrain resulted in an improvement in the films’ crystallinity. The UV-Visible spectroscopy analysis indicated that the average transmittance of all films lies in the range 75-80 %. The band gap of V{sub 2}O{sub 5} film was decreased from 2.65 to 2.46 eV with increase of the spray deposition rate from 5 ml/min to 10 ml/min. first, second, and third level headings (first level heading).« less

Relationship between tribology and optics in thin films of mechanically oriented nanocrystals.

PubMed

Wong, Liana; Hu, Chunhua; Paradise, Ruthanne; Zhu, Zina; Shtukenberg, Alexander; Kahr, Bart

2012-07-25

Many crystalline dyes, when rubbed unidirectionally with cotton on glass slides, can be organized as thin films of highly aligned nanocrystals. Commonly, the linear birefringence and linear dichroism of these films resemble the optical properties of single crystals, indicating precisely oriented particles. Of 186 colored compounds, 122 showed sharp extinction and 50 were distinctly linearly dichroic. Of the latter 50 compounds, 88% were more optically dense when linearly polarized light was aligned with the rubbing axis. The mechanical properties of crystals that underlie the nonstatistical correlation between tribological processes and the direction of electron oscillations in absorption bands are discussed. The features that give rise to the orientation of dye crystallites naturally extend to colorless molecular crystals.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garcia-Mateo, Carlos, E-mail: cgm@cenim.csic.es

Since the major strengthening mechanisms in nanocrystalline bainitic steels arise from the exceptionally small size of the bainitc ferrite plate, accurate determination of this parameter is fundamental for quantitative relating the microstructure to the mechanical properties. In this work, the thickness of the bainitic ferrite subunits obtained by different bainitic heat treatments was determined in two steels, with carbon contents of 0.3 and 0.7 wt.%, from SEM and TEM micrographs. As these measurements were made on 2D images taken from random sections, the method includes some stereological correction factors to obtain accurate information. Finally, the determined thicknesses of bainitic ferritemore » plates were compared with the crystallite size calculated from the analysis of X-ray diffraction peak broadening. Although in some case the values obtained for crystallite size and plate thickness can be similar, this study confirms that indeed they are two different parameters. - Highlights: •Bainitic microstructure in a nanostructured and sub-micron steel •Bainitic ferrite plate thickness measured by SEM and TEM •Crystallite size determined by X-ray analysis.« less

A comparative study of TiN and TiC: Oxidation resistance and retention of xenon at high temperature and under degraded vacuum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gavarini, S.; Bes, R.; Millard-Pinard, N.

2011-01-01

Dense TiN and TiC samples were prepared by hot pressing using micrometric powders. Xenon species (simulating rare gas fission products) were then implanted into the ceramics. The samples were annealed for 1 h at 1500 deg. C under several degraded vacuums with P{sub O{sub 2}} varying from 10{sup -6} to 2x10{sup -4} mbars. The oxidation resistance of the samples and their retention properties with respect to preimplanted xenon species were analyzed using scanning electron microscopy, grazing incidence x-ray diffraction, Rutherford backscattering spectrometry, and nuclear backscattering spectrometry. Results indicate that TiC is resistant to oxidation and does not release xenon formore » P{sub O{sub 2{<=}}}6x10{sup -6} mbars. When P{sub O{sub 2}} increases, geometric oxide crystallites appear at the surface depending on the orientation and size of TiC grains. These oxide phases are Ti{sub 2}O{sub 3}, Ti{sub 3}O{sub 5}, and TiO{sub 2}. Apparition of oxide crystallites is associated with the beginning of xenon release. TiC surface is completely covered by the oxide phases at P{sub O{sub 2}}=2x10{sup -4} mbars up to a depth of 3 {mu}m and the xenon is then completely released. For TiN samples, the results show a progressive apparition of oxide crystallites (Ti{sub 3}O{sub 5} mainly) at the surface when P{sub O{sub 2}} increases. The presence of the oxide crystallites is also directly correlated with xenon release, the more oxide crystallites are growing the more xenon is released. TiN surface is completely covered by an oxide layer at P{sub O{sub 2}}=2x10{sup -4} mbars up to 1 {mu}m. A correlation between the initial fine microstructure of TiN and the properties of the growing layer is suggested.« less

The influence of oxidation time on the properties of oxidized zinc films

NASA Astrophysics Data System (ADS)

Rambu, A. P.

2012-09-01

The effect of oxidation time on the structural characteristics and electronic transport mechanism of zinc oxide thin films prepared by thermal oxidation, have been investigated. Zinc metallic films were deposited by thermal evaporation under vacuum, the subsequent oxidation of Zn films being carried out in open atmosphere. XRD and AFM analysis indicate that obtained films posses a polycrystalline structure, the crystallites having a preferential orientation. Structural analysis reveals that microstructure of the films (crystallite size, surface roughness, internal stress) is depending on the oxidation time of metallic films. The electrical behavior of ZnO films was investigated, during a heat treatment (two heating/cooling cycles). It was observed that after the first heating, the temperature dependences of electrical conductivity become reversible. Mott variable range hopping model was proposed to analyze the temperature dependence of the electrical conductivity, in low temperature ranges. Values of some characteristic parameters were calculated.

Annealing induced reorientation of crystallites in Sn doped ZnO films

NASA Astrophysics Data System (ADS)

Ravichandran, K.; Vasanthi, M.; Thirumurugan, K.; Sakthivel, B.; Karthika, K.

2014-11-01

Tin doped ZnO thin films were prepared by employing a simplified spray pyrolysis technique using a perfume atomizer and subsequently annealed under different temperatures from 350 °C to 500 °C in steps of 50 °C. The structural, optical, electrical, photoluminescence and surface morphological properties of the as-deposited films were studied and compared with that of the annealed films. The X-ray diffraction studies showed that as-deposited film exhibits preferential orientation along the (0 0 2) plane and it changes in favour of (1 0 0) plane after annealing. The increase in crystallite size due to annealing is explained on the basis of Ostwald ripening effect. It is found that the optical transmittance and band gap increases with increase in annealing temperature. A slight decrease in resistivity caused by annealing is discussed in correlation with annealing induced defect modifications and surface morphology.

Processing of Ceramics by Biopolymers. Ultrastructure-Property Relationships in Biocrystals

DTIC Science & Technology

1991-10-09

34brick and mortar" microarchitecture with 0.5-pm-thick aragonite paltelets and a 20-nm-thick organic matrix between them. An analysis performed by TEM...proteins with the precipitates, (iii) analysis of the calcite lattice in terms of protein occlusion (atomic resolution electron microscopy and...crystallites have definite crystallographic orientation relationships on the "in- layer" and "through-thickness" directions. In addition, analysis of

Exciton-phonon coupling in diindenoperylene thin films

NASA Astrophysics Data System (ADS)

Heinemeyer, U.; Scholz, R.; Gisslén, L.; Alonso, M. I.; Ossó, J. O.; Garriga, M.; Hinderhofer, A.; Kytka, M.; Kowarik, S.; Gerlach, A.; Schreiber, F.

2008-08-01

We investigate exciton-phonon coupling and exciton transfer in diindenoperylene (DIP) thin films on oxidized Si substrates by analyzing the dielectric function determined by variable-angle spectroscopic ellipsometry. Since the molecules in the thin-film phase form crystallites that are randomly oriented azimuthally and highly oriented along the surface normal, DIP films exhibit strongly anisotropic optical properties with uniaxial symmetry. This anisotropy can be determined by multiple sample analysis. The thin-film spectrum is compared with a monomer spectrum in solution, which reveals similar vibronic subbands and a Huang-Rhys parameter of S≈0.87 for an effective internal vibration at ℏωeff=0.17eV . However, employing these parameters the observed dielectric function of the DIP films cannot be described by a pure Frenkel exciton model, and the inclusion of charge-transfer (CT) states becomes mandatory. A model Hamiltonian is parametrized with density-functional theory calculations of single DIP molecules and molecule pairs in the stacking geometry of the thin-film phase, revealing the vibronic coupling constants of DIP in its excited and charged states together with electron and hole transfer integrals along the stack. From a fit of the model calculation to the observed dielectric tensor, we find the lowest CT transition E00CT at 0.26±0.05eV above the neutral molecular excitation energy E00F , which is an important parameter for device applications.

Modeling of the Structure of Disordered Metallic Alloys and Its Transformation Under Thermal Forcing

NASA Astrophysics Data System (ADS)

Cress, Ryan Paul

The morphology of disordered binary metallic alloys is investigated. The structure of disordered binary metallic alloys is modeled as a randomly close packed (RCP) assembly of atoms. It was observed through a 2-D binary hard sphere experiment that RCP structure can be modeled as a mixture of nano-crystallites and glassy matter. We define the degree of crystallinity as the fraction of atoms contained in nano-crystallites in an RCP medium. Nano-crystallites by size in a crystallite size distribution were determined experimentally to define the morphology of the RCP medium. Both the degree of crystallinity and the crystallite size distribution have been found to be determined by the composition of a given binary mixture. A 2-D Monte Carlo simulation was developed in order to replicate the RCP structure observed in the experiment which is then extended to cases of arbitrary composition. Crystallites were assumed to be spherical with isotropic cross sections. The number of atoms in an individual crystallite in 2-D is simply transformed into the number of atoms in 3-D; we then obtain the crystallite size distribution in 3-D. This experiment accounts for the contribution from the repulsive core of the inter-atomic potential. The attractive part of the potential is recovered by constructing spherical nano-crystallites of a given radius from a crystalline specimen of each given alloy. A structural model of a disordered alloy is thus obtained. With the basic structure of the RCP medium defined, the response to heating would be in the form of changes to the crystallite size distribution. This was first investigated in a hard sphere mechanical oven experiment. The experimental setup consists of a 2-D cell which is driven by two independent stepper motors. The motors drive a binary RCP bed of spheres on a slightly tilted plane according to a chaotic algorithmm. The motors are driven at four different speed settings. The RCP medium was analyzed using a sequence of digital images taken of the beds. The bursts of images provide a Gaussian distribution of particle speeds in x and y directions thus giving rise to the notion of "temperature." This temperature scales with the motor speed settings. The measured average degree of crystallinity is found to decrease as the effective temperature was raised suggesting that nano-crystallites dissociate under thermal forcing. The evolution of a specimen's structure is calculated rigorously by means of the law of mass action formalism. A system of thermal dissociation reaction equations is written out for the set of nano-crystallites according to the 3-D crystallite size distribution. The equilibrium treatment is justified because the energy differences between metastable RCP structures fall within kT. Thermal dissociation of one surface atom at a time is assumed because the energy cost in dissociation of a surface atom on a nano-crystallite is significantly less than that of a multi atom cluster. The full set of reaction equations cover all possible dissociation steps, which may amount to several thousand for a disordered alloy specimen. The primary determining factor in each of these dissociation equations is the dissociation potential or the amount of attractive energy needed to remove a surface atom on a nano-crystallite of a given size. The attractive potential between atoms is calculated using a Lennard-Jones potential between a pair of atoms for which quantum chemistry calculations exist in the literature. All interactions impinged on the surface atom by all other atoms in a crystallite are summed. As the nano-crystallites dissociate due to heating, the structure of the alloy changes, and this leads to modifications of alloy's transport properties. The model is found to predict the melting temperature of various disordered binary alloys as well as refractory metals in good agreement with known data. The structure model for disordered binary alloys gives an excellent characterization of the alloy morphology. It therefore provides fruitful avenues for making predictions about how thermophysical properties of disordered binary alloys change as the alloy temperature is raised by heating.

Order - disorder transitions in granular sphere packings

NASA Astrophysics Data System (ADS)

Panaitescu, Andreea M.

Granular materials are ubiquitous in many industrial and natural processes, yet their complex behaviors characterized by unusual static and dynamic properties are still poorly understood. In this dissertation we investigate both the geometrical structure and the dynamical properties (the response to shear deformations, disorder-order transition and crystallization) of packings of mono-sized spheres as a function of the packing volume fraction. Different average packing fractions were obtained by submitting a dense granular material to periodic shear deformations and by epitaxy. Using advanced imaging techniques including the refractive index matched imaging (RIM) and X-ray computed tomography (CT) enables us to determine the three dimensional particles position inside the packing. From positions we obtain the Voronoi tessellation corresponding to the particles in the bulk and calculate the radial distribution and the bond-order metric. These two parameters are widely used to quantify the structure of the spherical particle systems. A granular packing undergoing periodic shear deformations is observed to slowly evolve towards crystallization and the packing fraction is correspondingly observed to increase smoothly from loose packing fraction, 0.59, well above the random close packing fraction, 0.637. Tracking the particles over several shear cycles allows us to obtain the probability distributions of particle displacements and the mean-square displacements and to compute the components of the diffusion tensor. We find that in a shear flow, the initial self-diffusion of the particles is anisotropic with diffusion greater in the flow direction compared with the velocity gradient direction which in turn is greater than in the vorticity direction. We further find that the granular matter under cyclic shear shows reversible as well as irreversible or plastic response for small enough strain amplitude. The appearance and the propagation of the crystalline order were studied using the orientational order metric. By following the evolution of the nucleating crystallites, we identified critical nuclei, determined their size and symmetry, and measured the average surface free energy. The structure of the nuclei was found to be random hexagonal close-packed, their average shape was non-spherical and they were oriented preferentially along the shear axis. When the packing volume fraction approaches a value close to the random close packing, crystallites with face centered cubic (fcc) order are observed with increasing probability, and ordered domains grow rapidly. A polycrystalline phase with domains of fcc and hcp order is obtained after hundreds of thousands of shear cycles. Depositing spheres on a substrate under the influence of gravity gives rise to a wide range of volume fractions and packing structures by simply controlling the nature of the substrate, the deposition rate and the energy of the particles. We analyzed the structures formed and investigate the development of the disordered phases as a function of the deposition rate. Furthermore, by comparing these structures with packings obtained by cyclic shear we showed that the structure of a granular packing depends strongly on the protocol used.

Synthesis and characterization of a mixed phase of anatase TiO2 and TiO2(B) by low pressure chemical vapour deposition (LPCVD) for high photocatalytic activity

NASA Astrophysics Data System (ADS)

Chimupala, Y.; Hyett, G.; Simpson, R.; Brydson, R.

2014-06-01

This project is concerned with enhancing photocatalytic activity by preparing a mixed phase of nano-sized TiO2. TiO2 thin films were synthesized by using Low Pressure Chemical Vapour Deposition (LPCVD). Titanium isopropoxide and N2 gas were used as the precursor and carrier gas respectively. The effects of reaction temperature, carrier gas flow rate and deposited area were studied. TiO2 thin films with nano-sized TiO2 particles were obtained under suitable conditions and SEM, TEM, powder XRD and Raman spectroscopy were employed to characterize the phase and physical appearance of synthesized materials. Preliminary results show that a dual phase (TiO2(B) and anatase) thin film nanopowder was successfully prepared by LPCVD with needle- and polygonal plate-shape crystallites respectively. This thin film deposit produced a preferred orientation of TiO2(B) needles in the [001] direction of average crystallite size 50-80 nm in length and 5-10 nm in width, whilst the crystallite size of anatase polygonal-plates was around 200 nm. The optimal LPCVD condition for preparing this mixed phase of TiO2 was 600°C with a 1 mL/s N2 flow rate.

Crystallization of sheared hard spheres at 64.5% volume fraction

NASA Astrophysics Data System (ADS)

Swinney, H. L.; Rietz, F.; Schroeter, M.; Radin, C.

2017-11-01

A classic experiment by G.D. Scott Nature 188, 908, 1960) showed that pouring balls into a rigid container filled the volume to an upper limit of 64% of the container volume, which is well below the 74% volume fraction filled by spheres in a hexagonal close packed (HCP) or face center cubic (FCC) lattice. Subsequent experiments have confirmed a ``random closed packed'' (RCP) fraction of about 64%. However, the physics of the RCP limit has remained a mystery. Our experiment on a cubical box filled with 49400 weakly sheared glass spheres reveals a first order phase transition from a disordered to an ordered state at a volume fraction of 64.5%. The ordered state consists of crystallites of mixed FCC and HCP symmetry that coexist with the amorphous bulk. The transition is initiated by homogeneous nucleation: in the shearing process small crystallites with about ten or fewer spheres dissolve, while larger crystallites grow. A movie illustrates the crystallization process. German Academic Exchange Service (DAAD), German Research Foundation (DFG), NSF DMS, and R.A. Welch Foundation.

Developpement d'un modele thermodynamique pour les cristallites de coke: Application aux systems carbone-hydrogene et carbone-soufre

NASA Astrophysics Data System (ADS)

Ouzilleau, Philippe

Carbon materials are essential components of multiple key industrial processes. One example of such a process is the production of aluminum using the Hall-Heroult process. It is well known that important quantities of carbon materials are regularily consumed by the operation of the Hall-Heroult process. In recent years, the increased impurity content of industrial carbon materials motivated the development of a better understanding for the high temperature behavior of these specific materials. The most common forms of carbon materials used in the industry are cokes. Cokes are carbon materials which, following heat treatment, present a crystalline structure similar to that observed in graphite. However, the observed crystallite size of cokes is usually much smaller than the one observed in graphite. For this reason, the chemical and thermodynamic properties of the ordered phase of cokes (i.e. coke crystallites) are very different than those of graphite (although coke crystallites of infinite size would possess properties almost identical to graphite). Coke crystallites consist of hexagonal planes of carbon atoms stacked one above the other. This particular aspect causes strong anisotropic properties in coke crystallites. No thermodynamic model was found for the production of a reliable correlation between the effect of crystallite size and chemical composition for the predictive calculations of the thermodynamic properties (and phase equilibriums) of coke crystallites. It is also difficult to produce predictive calculations that can be compared to experimental results using such a thermodynamic model. The goal of the present work is to propose a thermodynamic model designed to solve this problem. The present model is based on the well-defined geometrical properties of coke cristallites. This geometry allows the development of mathematical equations for the calculation of the mass balances of the crystallite (using a simplified geometry) using only the commonly used cristallite size parameters La (diameter of the crystallite) and Lc (height of the crystallite). The use of the Compound Energy Formalism is necessary to establish the methodology of the present model. Globally, the planar structure of the crystallites is divided into three sublattices on which individual chemical species are assumed to mix randomly. Appropriate thermodynamic paths are used to define the relative enthalpies and absolute entropies of these chemical species. The relative enthalpy and absolute entropy of the coke crystallites are derived for various values of La in the carbon/hydrogen and carbon/sulfur chemical systems. For the carbon/hydrogen system, the model parameters are based on the known values for the entropy of formation of simple hydrogenous organic compounds in the gaseous phase and known carbon/hydrogen bond enthalpies. Also, additional enthalpic properties of coke crystallites and graphitic structures are required for the definition of the thermodynamic paths (for example, the enthalpy associated with the delocalization of one electron in graphitic structures). Results for the carbon/hydrogen system are compared to experiments concerning the dehydrogenation of various cokes. A very satisfying agreement is obtained between the dehydrogenation curves predictively calculated by the model and the reported experimental results (obtained using slow heating rates). Most of the hydrogen content of coke crystallites (this content does not inclue the hydrogen in the condensed volatile matter phase) is predicted to leave the crystalline structure for temperatures between 1100 and 1300 K. Also, experimental measurements of the Gibbs energy of coke relative to graphite are reported. These measurements were obtained using a solid state electrochemical technique. A stabiliy of approximately 900 J g-1, relative to graphite, is reported for temperatures between 950 and 1250 K and for a crystallite size La of ˜10 nm. This value is in excellent agreement with the present thermodynamic model. Finally, an open discussion is made on the possible existance of a degraphitization behavior for coke crystallites heat treated above 2585 K. For the carbon/sulfur system, a modeling approach similar to the one developed for the carbon/hydrogen system is used. Approximately 75% of the model parameters of the carbon/hydrogen and carbon/sulfur systems are common to the two models. Predictive desulfurization curves using the current thermodynamic model are presented for temperatures above 1500 K. A very good agreement is obtained between the model calculations and the reported experimental data. Most of the sulfur content of coke crystallites is predicted to leave the crystallites for temperatures between 1600 and 1850 K. This temperature range is very similar to the puffing temperatures typically found during the desulfurization of petrochemical cokes. The good precision of the model for both studied systems (carbon/sulfur and carbon/hydrogen) combined with the transferability of the model parameters between the carbon/hydrogen and carbon/sulfur systems tend to validate the global approach developed so far.

Epitaxially Grown Films of Standing and Lying Pentacene Molecules on Cu(110) Surfaces

PubMed Central

2011-01-01

Here, it is shown that pentacene thin films (30 nm) with distinctively different crystallographic structures and molecular orientations can be grown under essentially identical growth conditions in UHV on clean Cu(110) surfaces. By X-ray diffraction, we show that the epitaxially oriented pentacene films crystallize either in the “thin film” phase with standing molecules or in the “single crystal” structure with molecules lying with their long axes parallel to the substrate. The morphology of the samples observed by atomic force microscopy shows an epitaxial alignment of pentacene crystallites, which corroborates the molecular orientation observed by X-ray diffraction pole figures. Low energy electron diffraction measurements reveal that these dissimilar growth behaviors are induced by subtle differences in the monolayer structures formed by slightly different preparation procedures. PMID:21479111

Evidence for filamentary superconductivity up to 220 K in oriented multiphase Y-Ba-Cu-O thin films

NASA Astrophysics Data System (ADS)

Schönberger, R.; Otto, H. H.; Brunner, B.; Renk, K. F.

1991-02-01

We report on the observation of filamentary superconductivity up to 220 K in multiphase Y-Ba-Cu-O materials that are deposited as highly oriented thin films on (110)-SrTiO 3 substrates by laser ablation from ceramic targets. The high temperature zero resistivity states are reproducible after temperature cycling down to 80 K for samples treated by a special oxygenation and ozonization process at 340 K and measured in a pure oxygen atmosphere. Our results on thin films confirm former experiments of J.T. Chen and co-workers obtained on ceramic samples with preferred crystallite orientation. A close connection between superconductivity and structural instabilities of most likely ferroic nature, which are observed more often for YBa 2Cu 3O 7 in a narrow temperature range near 220 K, is suggested.

Structural investigation of Mimosa pudica Linn fibre

NASA Astrophysics Data System (ADS)

Patra, S. R.; Pattojoshi, P.; Tiwari, T. N.; Mallick, B.

2017-04-01

Sensitive plant ( Mimosa pudica Linn.) fibre is a natural fibre with electrically conductive property. Because of its electro-active sensing nature, it has been found very interesting among physicists, chemists, biologists, material scientists and technologists. So far as our knowledge is concerned; there is no report on the X-ray structure of M. pudica fibre using diffraction technique. In the present report, the M. pudica fibre has been extracted from the stem of the herb by sinking the stem in 10% NaOH solution for one week. The diffraction pattern of the fibre is found out to be cellulose-I. The effect of the fibre structure and its orientation due to different mounting have been investigated using X-ray diffraction technique. The I max of cellulose-I has been observed along (002) and (10\\overline{1)} for the perpendicular and parallel mounting of the native-fibre, respectively. Full width at half maxima of the diffraction profile turns out to be decreased with fibre orientation. Dimension of crystallite size D hkl estimated in the perpendicular mounting D_{hkl}^{ \\bot } is more as compared to that of the parallel mounting D_{hkl}^{{^{allel } }}. The smallest crystallite sizes observed in both parallel and perpendicular mounting are 18.78 and 30.78 Å respectively. It is expected that the present study may help to analyse the X-ray diffraction of fibre materials in general and natural fibres in particular.

Cellulose structure and lignin distribution in normal and compression wood of the Maidenhair tree (Ginkgo biloba L.).

PubMed

Andersson, Seppo; Wang, Yurong; Pönni, Raili; Hänninen, Tuomas; Mononen, Marko; Ren, Haiqing; Serimaa, Ritva; Saranpää, Pekka

2015-04-01

We studied in detail the mean microfibril angle and the width of cellulose crystals from the pith to the bark of a 15-year-old Maidenhair tree (Ginkgo biloba L.). The orientation of cellulose microfibrils with respect to the cell axis and the width and length of cellulose crystallites were determined using X-ray diffraction. Raman microscopy was used to compare the lignin distribution in the cell wall of normal/opposite and compression wood, which was found near the pith. Ginkgo biloba showed a relatively large mean microfibril angle, varying between 19° and 39° in the S2 layer, and the average width of cellulose crystallites was 3.1-3.2 nm. Mild compression wood without any intercellular spaces or helical cavities was observed near the pith. Slit-like bordered pit openings and a heavily lignified S2L layer confirmed the presence of compression wood. Ginkgo biloba showed typical features present in the juvenile wood of conifers. The microfibril angle remained large over the 14 annual rings. The entire stem disc, with a diameter of 18 cm, was considered to consist of juvenile wood. The properties of juvenile and compression wood as well as the cellulose orientation and crystalline width indicate that the wood formation of G. biloba is similar to that of modern conifers. © 2015 Institute of Botany, Chinese Academy of Sciences.

Dislocation, crystallite size distribution and lattice strain of magnesium oxide nanoparticles

NASA Astrophysics Data System (ADS)

Sutapa, I. W.; Wahid Wahab, Abdul; Taba, P.; Nafie, N. L.

2018-03-01

The oxide of magnesium nanoparticles synthesized using sol-gel method and analysis of the structural properties was conducted. The functional groups of nanoparticles has been analysed by Fourier Transform Infrared Spectroscopy (FT-IR). Dislocations, average size of crystal, strain, stress, the energy density of crystal, crystallite size distribution and morphologies of the crystals were determined based on X-ray diffraction profile analysis. The morphological of the crystal was analysed based on the image resulted from SEM analysis. The crystallite size distribution was calculated with the contention that the particle size has a normal logarithmic form. The most orientations of crystal were determined based on the textural crystal from diffraction data of X-ray diffraction profile analysis. FT-IR results showed the stretching vibration mode of the Mg-O-Mg in the range of 400.11-525 cm-1 as a broad band. The average size crystal of nanoparticles resulted is 9.21 mm with dislocation value of crystal is 0.012 nm-2. The strains, stress, the energy density of crystal are 1.5 x 10-4 37.31 MPa; 0.72 MPa respectively. The highest texture coefficient value of the crystal is 0.98. This result is supported by morphological analysis using SEM which shows most of the regular cubic-shaped crystals. The synthesis method is suitable for simple and cost-effective synthesis model of MgO nanoparticles.

Analytical saturated domain orientation textures and electromechanical properties of ferroelectric ceramics due to electric/mechanical poling

NASA Astrophysics Data System (ADS)

Li, F. X.; Rajapakse, R. K. N. D.

2007-03-01

Saturated domain orientation textures of three types of pseudocubic (tetragonal, rhombohedral, and orthorhombic) ferroelectric ceramics after complete electric and uniaxial tension (compression) poling is studied analytically in this paper. A one-dimensional orientation distribution function (ODF) of the domain polar vectors is explicitly derived from the uniform inverse pole figures of the poling field axes on a stereographic projection with respect to the fixed crystallite coordinates. The analytical ODF is used to obtain the analytical solutions of saturated polarization and strain after electric/mechanical poling. Based on the closed form solution of the saturated domain orientation textures, the resultant intrinsic electromechanical properties of ferroelectric ceramics, which depend only on the ODF and properties of the corresponding single crystals, are obtained. The results show how the macroscopic symmetries of ferroelectric crystals change from 4mm (tetragonal), 3m (rhombohedral), and mm2 (orthorhombic) single crystals to a ∞mm (transversely isotropic) completely poled ceramic.

Time-Resolved Imaging of the Phase Transition in the Melt-Grown Spherulites of Isotactic Polybutene-1 as Detected by the Two-Dimensional Polarized IR Imaging Technique.

PubMed

Hu, Jian; Tashiro, Kohji

2016-05-26

In order to visualize the 2D spatial distribution of the structural change in the phase transition from crystal form II to I of isotactic polybutene-1 spherulite grown from the melt, the time-dependent measurement of the 2D polarized FTIR spectra has been performed. At a melt-isothermal crystallization temperature of 103 °C, the square-shape spherulite appeared from the melt and grew with time. When the isothermal crystallization occurred at 98 °C, the round-shaped spherulite was observed. In both cases, after the temperature jump to an ambient temperature, the 2D images changed clearly in the process of the phase transition from form II to form I, but the spherulite morphology itself was not changed detectably. The polarized IR imaging has revealed the preferential orientation of the crystallites in the spherulite. In the case of the spherulite grown at 103 °C, the ab plane is oriented in parallel to the spherulite plane and the molecular chains stand along the normal to the surface. On the other hand, in the spherulite grown at 98 °C, the chains were found to lie on the spherulite plane preferentially. Such a difference in the crystal orientation in the spherulite is related intimately with the outer shape of the spherulite and also with the growth mechanism of the spherulite. In this way, the polarized 2D IR imaging was found to be quite useful for the in situ detection of the time-dependently changing 2D spatial distribution of the crystallites in the spherulite.

Vibrational algorithms for quantitative crystallographic analyses of hydroxyapatite-based biomaterials: I, theoretical foundations.

PubMed

Pezzotti, Giuseppe; Zhu, Wenliang; Boffelli, Marco; Adachi, Tetsuya; Ichioka, Hiroaki; Yamamoto, Toshiro; Marunaka, Yoshinori; Kanamura, Narisato

2015-05-01

The Raman spectroscopic method has quantitatively been applied to the analysis of local crystallographic orientation in both single-crystal hydroxyapatite and human teeth. Raman selection rules for all the vibrational modes of the hexagonal structure were expanded into explicit functions of Euler angles in space and six Raman tensor elements (RTE). A theoretical treatment has also been put forward according to the orientation distribution function (ODF) formalism, which allows one to resolve the statistical orientation patterns of the nm-sized hydroxyapatite crystallite comprised in the Raman microprobe. Close-form solutions could be obtained for the Euler angles and their statistical distributions resolved with respect to the direction of the average texture axis. Polarized Raman spectra from single-crystalline hydroxyapatite and textured polycrystalline (teeth enamel) samples were compared, and a validation of the proposed Raman method could be obtained through confirming the agreement between RTE values obtained from different samples.

Bandgap tuning in highly c-axis oriented Zn1-xMgxO thin films

NASA Astrophysics Data System (ADS)

Kumar, Parmod; Malik, Hitendra K.; Ghosh, Anima; Thangavel, R.; Asokan, K.

2013-06-01

We propose Mg doping in zinc oxide (ZnO) films for realizing wider optical bandgap in highly c-axis oriented Zn1-xMgxO (0 ≤ x ≤ 0.3) thin films. A remarkable enhancement of 25% in the bandgap by 30% Mg doping was achieved. The bandgap was tuned between 3.25 eV (ZnO) and 4.06 eV (Zn0.7Mg0.3O), which was further confirmed by density functional theory based wien2k simulation employing a combined generalized gradient approximation with scissor corrections. The change of stress and crystallite size in these films were found to be the causes for the observed blueshift in the bandgap.

Electronic GaAs-on-Silicon Material for Advanced High-Speed Optoelectronic Devices

DTIC Science & Technology

1991-01-01

of the substrate in contact with the growth ambient. Ira is the surface energy of the nucleated crystallite for a crystallographic orientation ( hkl ). A...Liquid-Phase Epitaxy" Journal of Applied Physics 63,4 (15 February 1988) 1075 -1079. 41. S. Sakai, S.S. Chang, R.V. Ramaswamy, J-H. Kim, G. Radha- krishnan...and Ge-Si-Pb Ternary Phase Diagram," Journal of the Electrochemical Society 117,8 (August 1970) 1075 -1079. 72. N.A. Yukasheva, K.S. Zhuravlev, S.I

Effects of crystallite size on the structure and magnetism of ferrihydrite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Xiaoming; Zhu, Mengqiang; Koopal, Luuk K.

2015-12-15

The structure and magnetic properties of nano-sized (1.6 to 4.4 nm) ferrihydrite samples are systematically investigated through a combination of X-ray diffraction (XRD), X-ray pair distribution function (PDF), X-ray absorption spectroscopy (XAS) and magnetic analyses. The XRD, PDF and Fe K-edge XAS data of the ferrihydrite samples are all fitted well with the Michel ferrihydrite model, indicating similar local-, medium- and long-range ordered structures. PDF and XAS fitting results indicate that, with increasing crystallite size, the average coordination numbers of Fe–Fe and the unit cell parameter c increase, while Fe2 and Fe3 vacancies and the unit cell parameter a decrease.more » Mössbauer results indicate that the surface layer is relatively disordered, which might have been caused by the random distribution of Fe vacancies. These results support Hiemstra's surface-depletion model in terms of the location of disorder and the variations of Fe2 and Fe3 occupancies with size. Magnetic data indicate that the ferrihydrite samples show antiferromagnetism superimposed with a ferromagnetic-like moment at lower temperatures (100 K and 10 K), but ferrihydrite is paramagnetic at room temperature. In addition, both the magnetization and coercivity decrease with increasing ferrihydrite crystallite size due to strong surface effects in fine-grained ferrihydrites. Smaller ferrihydrite samples show less magnetic hyperfine splitting and a lower unblocking temperature (T B) than larger samples. The dependence of magnetic properties on grain size for nano-sized ferrihydrite provides a practical way to determine the crystallite size of ferrihydrite quantitatively in natural environments or artificial systems.« less

Amino-Acid-Induced Preferential Orientation of Perovskite Crystals for Enhancing Interfacial Charge Transfer and Photovoltaic Performance.

PubMed

Shih, Yen-Chen; Lan, Yu-Bing; Li, Chia-Shuo; Hsieh, Hsiao-Chi; Wang, Leeyih; Wu, Chih-I; Lin, King-Fu

2017-06-01

Interfacial engineering of perovskite solar cells (PSCs) is attracting intensive attention owing to the charge transfer efficiency at an interface, which greatly influences the photovoltaic performance. This study demonstrates the modification of a TiO 2 electron-transporting layer with various amino acids, which affects charge transfer efficiency at the TiO 2 /CH 3 NH 3 PbI 3 interface in PSC, among which the l-alanine-modified cell exhibits the best power conversion efficiency with 30% enhancement. This study also shows that the (110) plane of perovskite crystallites tends to align in the direction perpendicular to the amino-acid-modified TiO 2 as observed in grazing-incidence wide-angle X-ray scattering of thin CH 3 NH 3 PbI 3 perovskite film. Electrochemical impedance spectroscopy reveals less charge transfer resistance at the TiO 2 /CH 3 NH 3 PbI 3 interface after being modified with amino acids, which is also supported by the lower intensity of steady-state photoluminescence (PL) and the reduced PL lifetime of perovskite. In addition, based on the PL measurement with excitation from different side of the sample, amino-acid-modified samples show less surface trapping effect compared to the sample without modification, which may also facilitate charge transfer efficiency at the interface. The results suggest that appropriate orientation of perovskite crystallites at the interface and trap-passivation are the niche for better photovoltaic performance. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Upper Campanian suspected silicified seismite related to the Syrian Arc tectonic system in the Middle East

NASA Astrophysics Data System (ADS)

Lewy, Zeev

2010-06-01

The formation of the rare 'homogenous linear structures' in chert beds in the Phosphate Member of the Mishash Formation in central and southern Israel is reevaluated based on new samples from Har Omer, Arava Valley. These are of 4-6 cm thick chert beds in which the upper and lower surfaces form dense subparallel low ridges in contrast to the planar surfaces of other chert layers alternating with other lithologies. The ridges were suggested to have formed by advancing silicification fronts replacing the original sediment by microquartz without specifying the control on the ridged pattern and its regional orientation. One sample exhibits different color internal folds attesting to a multiple wavy mobilization of the silica-bearing liquid, probably composed of individual tiny crystallites of silicified calcareous micrite dispersed in seawater. This interpreted 'soup' of microquartz crystallites is corroborated by examples of a plastic deformation and mobilization in a muddy state of the siliceous Mishash Formation unconsolidated sediment. E-W dominant orientation of the ridges in central and southern Israel cannot be related to a simple diffusive diagenetic process and probably was initiated by N-S trending seismic surface waves during the Syrian Arc tectonic activity in the Middle East. Accordingly, this seismically induced sedimentary structure (seismite) formed through the vertical mobilization of silica-rich liquid replacing seawater in-between the sedimentary particles, advancing in a wavy upper and lower front triggered by a seismic event.

Characterization of crocodile teeth: correlation of composition, microstructure, and hardness.

PubMed

Enax, Joachim; Fabritius, Helge-Otto; Rack, Alexander; Prymak, Oleg; Raabe, Dierk; Epple, Matthias

2013-11-01

Structure and composition of teeth of the saltwater crocodile Crocodylus porosus were characterized by several high-resolution analytical techniques. X-ray diffraction in combination with elemental analysis and infrared spectroscopy showed that the mineral phase of the teeth is a carbonated calcium-deficient nanocrystalline hydroxyapatite in all three tooth-constituting tissues: Dentin, enamel, and cementum. The fluoride content in the three tissues is very low (<0.1 wt.%) and comparable to that in human teeth. The mineral content of dentin, enamel, and cementum as determined by thermogravimetry is 71.3, 80.5, and 66.8 wt.%, respectively. Synchrotron X-ray microtomography showed the internal structure and allowed to visualize the degree of mineralization in dentin, enamel, and cementum. Virtual sections through the tooth and scanning electron micrographs showed that the enamel layer is comparably thin (100-200 μm). The crystallites in the enamel are oriented perpendicularly to the tooth surface. At the dentin-enamel-junction, the packing density of crystallites decreases, and the crystallites do not display an ordered structure as in the enamel. The microhardness was 0.60±0.05 GPa for dentin, 3.15±0.15 GPa for enamel, 0.26±0.08 GPa for cementum close to the crown, and 0.31±0.04 GPa for cementum close to the root margin. This can be explained with the different degree of mineralization of the different tissue types and is comparable with human teeth. Copyright © 2013 Elsevier Inc. All rights reserved.

A new theory for X-ray diffraction.

PubMed

Fewster, Paul F

2014-05-01

This article proposes a new theory of X-ray scattering that has particular relevance to powder diffraction. The underlying concept of this theory is that the scattering from a crystal or crystallite is distributed throughout space: this leads to the effect that enhanced scatter can be observed at the `Bragg position' even if the `Bragg condition' is not satisfied. The scatter from a single crystal or crystallite, in any fixed orientation, has the fascinating property of contributing simultaneously to many `Bragg positions'. It also explains why diffraction peaks are obtained from samples with very few crystallites, which cannot be explained with the conventional theory. The intensity ratios for an Si powder sample are predicted with greater accuracy and the temperature factors are more realistic. Another consequence is that this new theory predicts a reliability in the intensity measurements which agrees much more closely with experimental observations compared to conventional theory that is based on `Bragg-type' scatter. The role of dynamical effects (extinction etc.) is discussed and how they are suppressed with diffuse scattering. An alternative explanation for the Lorentz factor is presented that is more general and based on the capture volume in diffraction space. This theory, when applied to the scattering from powders, will evaluate the full scattering profile, including peak widths and the `background'. The theory should provide an increased understanding of the reliability of powder diffraction measurements, and may also have wider implications for the analysis of powder diffraction data, by increasing the accuracy of intensities predicted from structural models.

Pre and post annealed low cost ZnO nanorods on seeded substrate

NASA Astrophysics Data System (ADS)

Nordin, M. N.; Kamil, Wan Maryam Wan Ahmad

2017-05-01

We wish to report the photonic band gap (where light is confined) in low cost ZnO nanorods created by two-step chemical bath deposition (CBD) method where the glass substrates were pre-treated with two different seeding thicknesses, 100 nm (sample a) and 150 nm (sample b), of ZnO using radio frequency magnetron sputtering. Then the samples were annealed at 600°C for 1 hour in air before and after immersed into the chemical solution for CBD process. To observe the presence of photonic band gap on the sample, UV-Visible-NIR spectrophotometer was utilized and showed that sample a and sample b both achieved wide band gap between 240 nm and 380 nm, within the UV range for typical ZnO, however sample b provided a better light confinement that may be attributed by the difference in average nanorods size. Field Emission Scanning Electron Microscope (FESEM) of the samples revealed better oriented nanorods uniformly scattered across the surface when substrates were coated with 100 nm of seeding layer whilst the 150 nm seeding sample showed a poor distribution of nanorods probably due to defects in the sample. Finally, the crystal structure of the ZnO crystallite is revealed by employing X-ray diffraction and both samples showed polycrystalline with hexagonal wurtzite structure that matched with JCPDS No. 36-1451. The 100 nm pre-seeded samples was recognized to have bigger average crystallite size, however sample b was suggested as having a higher crystalline quality. In conclusion, the sample b is recognized as a better candidate for future photonic applications due to its more apparent of photonic band gap and this may be contributed by more random distribution of the nanorods as observed in FESEM images as well as higher crystalline quality as suggested from XRD measurements.

X-ray diffraction study of nanocrystalline and amorphous structure within major and minor ampullate dragline spider silks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sampath, Sujatha; Isdebski, Thomas; Jenkins, Janelle E.

Synchrotron X-ray micro-diffraction experiments were carried out on Nephila clavipes (NC) and Argiope aurantia (AA) major (MA) and minor ampullate (MiA) fibers that make up dragline spider silk. The diffraction patterns show a semi-crystalline structure with {beta}-poly(L-alanine) nanocrystallites embedded in a partially oriented amorphous matrix. A superlattice reflection 'S' diffraction ring is observed, which corresponds to a crystalline component larger in size and is poorly oriented, when compared to the {beta}-poly(L-alanine) nanocrystallites that are commonly observed in dragline spider silks. Crystallite size, crystallinity and orientation about the fiber axis have been determined from the wide-angle X-ray diffraction (WAXD) patterns. Inmore » both NC and AA, the MiA silks are found to be more highly crystalline, when compared with the corresponding MA silks. Detailed analysis on the amorphous matrix shows considerable differences in the degree of order of the oriented amorphous component between the different silks studied and may play a crucial role in determining the mechanical properties of the silks.« less

Quantitative polarized Raman spectroscopy in highly turbid bone tissue

NASA Astrophysics Data System (ADS)

Raghavan, Mekhala; Sahar, Nadder D.; Wilson, Robert H.; Mycek, Mary-Ann; Pleshko, Nancy; Kohn, David H.; Morris, Michael D.

2010-05-01

Polarized Raman spectroscopy allows measurement of molecular orientation and composition and is widely used in the study of polymer systems. Here, we extend the technique to the extraction of quantitative orientation information from bone tissue, which is optically thick and highly turbid. We discuss multiple scattering effects in tissue and show that repeated measurements using a series of objectives of differing numerical apertures can be employed to assess the contributions of sample turbidity and depth of field on polarized Raman measurements. A high numerical aperture objective minimizes the systematic errors introduced by multiple scattering. We test and validate the use of polarized Raman spectroscopy using wild-type and genetically modified (oim/oim model of osteogenesis imperfecta) murine bones. Mineral orientation distribution functions show that mineral crystallites are not as well aligned (p<0.05) in oim/oim bones (28+/-3 deg) compared to wild-type bones (22+/-3 deg), in agreement with small-angle X-ray scattering results. In wild-type mice, backbone carbonyl orientation is 76+/-2 deg and in oim/oim mice, it is 72+/-4 deg (p>0.05). We provide evidence that simultaneous quantitative measurements of mineral and collagen orientations on intact bone specimens are possible using polarized Raman spectroscopy.

Quantitative polarized Raman spectroscopy in highly turbid bone tissue.

PubMed

Raghavan, Mekhala; Sahar, Nadder D; Wilson, Robert H; Mycek, Mary-Ann; Pleshko, Nancy; Kohn, David H; Morris, Michael D

2010-01-01

Polarized Raman spectroscopy allows measurement of molecular orientation and composition and is widely used in the study of polymer systems. Here, we extend the technique to the extraction of quantitative orientation information from bone tissue, which is optically thick and highly turbid. We discuss multiple scattering effects in tissue and show that repeated measurements using a series of objectives of differing numerical apertures can be employed to assess the contributions of sample turbidity and depth of field on polarized Raman measurements. A high numerical aperture objective minimizes the systematic errors introduced by multiple scattering. We test and validate the use of polarized Raman spectroscopy using wild-type and genetically modified (oim/oim model of osteogenesis imperfecta) murine bones. Mineral orientation distribution functions show that mineral crystallites are not as well aligned (p<0.05) in oim/oim bones (28+/-3 deg) compared to wild-type bones (22+/-3 deg), in agreement with small-angle X-ray scattering results. In wild-type mice, backbone carbonyl orientation is 76+/-2 deg and in oim/oim mice, it is 72+/-4 deg (p>0.05). We provide evidence that simultaneous quantitative measurements of mineral and collagen orientations on intact bone specimens are possible using polarized Raman spectroscopy.

Features of structural changes in the near-surface aluminum layer under various schemes of ion implantation

NASA Astrophysics Data System (ADS)

Kryzhevich, Dmitrij S.; Zolnikov, Konstantin P.; Korchuganov, Aleksandr V.

2017-10-01

The molecular dynamics simulation of structural rearrangements in the surface layer of aluminum samples under ion implantation of various intensities was carried out. The features of the internal structure and the crystallographic orientation of the irradiated crystallite were taken into account. To describe the interatomic interaction many-body potentials obtained in the framework of the embedded atom method were used. Irradiation of the {100} surface results in much less number of formed defects than irradiation of the {110} and {111} ones. When irradiating surfaces with beams of relatively low energy grains remain unchanged in the surface region and the formation of stacking faults was not observed. At a high intensity of irradiation, the near-surface layer of the crystallite melts. In the absence of heat removal, the centers of crystallization become grains lying on the boundary of the solid and liquid phases. Those grains increase due to the adjustment of the atoms of the liquid phase to their lattice. As a result, the grain size in the near-surface region increases.

Microstructure evolution of Al-doped zinc oxide films prepared by in-line reactive mid-frequency magnetron sputtering

NASA Astrophysics Data System (ADS)

Hong, R. J.; Jiang, X.

2006-07-01

Aluminium-doped zinc oxide (ZnO:Al or AZO) thin films were deposited on glass substrates by reactive mid-frequency (MF) magnetron sputtering from Zn/Al metallic targets. Strong (002) preferred orientation was detected by X-ray diffraction (XRD). It was observed by plan-view transmission electron microscopy (TEM) that an AZO film deposited at low substrate temperature was composed of irregular large grains; but the film prepared at high temperature was composed of moderate sized grains with a regular shape. A secondary phase of ZnO2 was also observed for the film deposited at low substrate temperature. The cross-sectional TEM study of the AZO film showed that prior to the well-aligned columnar growth an initial interfacial zone with nano crystallites were formed. The nano crystallites formed initially with a large tilt angle normal to the substrate surface and during the growth of the transition zone, the tilt angle decreased until it vanished. The evolution of the film structure is discussed in terms of evolutionary selection model and the dynamic deposition process.

MoS2 interactions with 1.5 eV atomic oxygen

NASA Technical Reports Server (NTRS)

Martin, J. A.; Cross, J. B.; Pope, L. E.

1989-01-01

Exposures of MoS2 to 1.5-eV atomic oxygen in an anhydrous environment reveal that the degree of oxidation is essentially independent of crystallite orientation, and that the surface-adsorbed reaction products are MoO3 and MoO2. A mixture of oxides and sulfide exists over a depth of about 90 A, and this layer has a low diffusion rate for oxygen. It is concluded that a protective oxide layer forms on MoS2 on exposure to the atomic-oxygen-rich environment of LEO.

Fabrication and nanoscale characterization of magnetic multilayer nanowires

NASA Astrophysics Data System (ADS)

Elawayeb, Mohamed

Magnetic multilayers nanowires are scientifically fascinating and have potential industrial applications in many areas of advanced nanotechnology. These applications arise due to the nanoscale dimensions of nanostructures that lead to unique physical properties. Magnetic multilayer nanowires have been successfully produced by electrodeposition into templates. Anodic Aluminium Oxide (AAO) membranes were used as templates in this process; the templates were fabricated by anodization method in acidic solutions at a fixed voltage. The fabrication method of a range of magnetic multilayer nanowires is described in this study and their structure and dimensions were analyzed using scanning electron microscope (SEM), Transmission electron microscope (TEM) and scanning transmission electron microscopy (STEM). This study is focused on the first growth of NiFe/Pt and NiFe/Fe magnetic multilayer nanowires, which were successfully fabricated by pulse electrodeposition into the channels of porous anodic aluminium oxide (AAO) templates, and characterized at the nanoscale. Individual nanowires have uniform structure and regular periodicity. The magnetic and nonmagnetic layers are polycrystalline, with randomly oriented fcc lattice structure crystallites. Chemical compositions of the individual nanowires were analyzed using TEM equipped with energy-dispersive x-ray analysis (EDX) and electron energy loss spectrometry (EELS). The electrical and magnetoresistance properties of individual magnetic multilayer nanowires have been measured inside a SEM using two sharp tip electrodes attached to in situ nanomanipulators and a new electromagnet technique. The giant magnetoresistance (GMR) effect of individual magnetic multilayer nanowires was measured in the current - perpendicular to the plane (CPP) geometry using a new in situ method at variable magnetic field strength and different orientations..

Evaluation of Rock Powdering Methods to Obtain Fine-grained Samples for CHEMIN, a Combined XRD/XRF Instrument

NASA Technical Reports Server (NTRS)

Chipera, S. J.; Vaniman, D. T.; Bish, D. L.; Sarrazin, P.; Feldman, S.; Blake, D. F.; Bearman, G.; Bar-Cohen, Y.

2004-01-01

A miniature XRD/XRF (X-ray diffraction / X-ray fluorescence) instrument, CHEMIN, is currently being developed for definitive mineralogic analysis of soils and rocks on Mars. One of the technical issues that must be addressed to enable remote XRD analysis is how best to obtain a representative sample powder for analysis. For powder XRD analyses, it is beneficial to have a fine-grained sample to reduce preferred orientation effects and to provide a statistically significant number of crystallites to the X-ray beam. Although a two-dimensional detector as used in the CHEMIN instrument will produce good results even with poorly prepared powder, the quality of the data will improve and the time required for data collection will be reduced if the sample is fine-grained and randomly oriented. A variety of methods have been proposed for XRD sample preparation. Chipera et al. presented grain size distributions and XRD results from powders generated with an Ultrasonic/Sonic Driller/Corer (USDC) currently being developed at JPL. The USDC was shown to be an effective instrument for sampling rock to produce powder suitable for XRD. In this paper, we compare powder prepared using the USDC with powder obtained with a miniaturized rock crusher developed at JPL and with powder obtained with a rotary tungsten carbide bit to powders obtained from a laboratory bench-scale Retsch mill (provides benchmark mineralogical data). These comparisons will allow assessment of the suitability of these methods for analysis by an XRD/XRF instrument such as CHEMIN.

An experimental study of high Tc superconducting microstrip transmission lines at 35 GHz and the effect of film morphology

NASA Technical Reports Server (NTRS)

Chorey, C. M.; Bhasin, K. B.; Warner, J. D.; Josefowicz, J. Y.; Rensch, D. B.

1991-01-01

Microstrip transmission lines in the form of ring resonators were fabricated from a number of in-situ grown laser ablated films and post-annealed co-sputtered YBa2Cu3O(7-x) films. The properties of these resonators were measured at 35 GHz and the observed performance is examined in light of the critical temperature (Tc) and film thickness, and also the film morphology, which is different for the two deposition techniques. It is found that Tc is a major indicator of the film performance for each growth type, with film thickness becoming important as it decreases towards 1000 A. It is also found that the films with a mixed grain orientation (both a-axis and c-axis oriented grains) have poorer microwave properties as compared with the primarily c-axis oriented material. This is probably due to the significant number of grain boundaries between the different crystallites, which may act as superconducting weak links and contribute to the surface resistance.

An experimental study of high Tc superconducting microstrip transmission lines at 35 GHz and the effect of film morphology

NASA Technical Reports Server (NTRS)

Chorey, C. M.; Bhasin, K. B.; Warner, J. D.; Josefowicz, J. Y.; Rensch, D. B.; Nieh, C. W.

1990-01-01

Microstrip transmission lines in the form of ring resonators were fabricated from a number of in-situ grown laser ablated films and post-annealed co-sputtered YBa2Cu3O(7-x) films. The properties of these resonators were measured at 35 GHz and the observed performance is examined in light of the critical temperature (Tc) and film thickness and also the film morphology which is different for the two deposition techniques. It is found that Tc is a major indicator of the film performance for each growth type with film thickness becoming important as it decreases towards 100 A. It is also found that the films with a mixed grain orientation (both a axis and c axis oriented grains) have poorer microwave properties as compared with the primarily c axis oriented material. This is probably due to the significant number of grain boundaries between the different crystallites, which may act as superconducting weak links and contribute to the surface resistance.

Towards 3D crystal orientation reconstruction using automated crystal orientation mapping transmission electron microscopy (ACOM-TEM).

PubMed

Kobler, Aaron; Kübel, Christian

2018-01-01

To relate the internal structure of a volume (crystallite and phase boundaries) to properties (electrical, magnetic, mechanical, thermal), a full 3D reconstruction in combination with in situ testing is desirable. In situ testing allows the crystallographic changes in a material to be followed by tracking and comparing the individual crystals and phases. Standard transmission electron microscopy (TEM) delivers a projection image through the 3D volume of an electron-transparent TEM sample lamella. Only with the help of a dedicated TEM tomography sample holder is an accurate 3D reconstruction of the TEM lamella currently possible. 2D crystal orientation mapping has become a standard method for crystal orientation and phase determination while 3D crystal orientation mapping have been reported only a few times. The combination of in situ testing with 3D crystal orientation mapping remains a challenge in terms of stability and accuracy. Here, we outline a method to 3D reconstruct the crystal orientation from a superimposed diffraction pattern of overlapping crystals without sample tilt. Avoiding the typically required tilt series for 3D reconstruction enables not only faster in situ tests but also opens the possibility for more stable and more accurate in situ mechanical testing. The approach laid out here should serve as an inspiration for further research and does not make a claim to be complete.

Oriented thin films of mixture of a low-bandgap polymer and a fullerene derivative prepared by friction-transfer method

NASA Astrophysics Data System (ADS)

Tanigaki, Nobutaka; Mizokuro, Toshiko; Miyadera, Tetsuhiko; Shibata, Yousei; Koganezawa, Tomoyuki

2018-02-01

We have been studying oriented thin films of polymers fabricated by the friction-transfer method, which allows the alignment of a variety of conjugated polymers into highly oriented films. In this study, we prepared oriented blend films of a mixture of a low-bandgap polymer, poly{4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b‧]dithiophene-2,6-diyl-alt-3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophene-4,6-diyl} (PTB7), and [6,6]-phenyl-C71-butyric acid methyl ester (PC71BM), which is a promising combination for application in organic solar cells. We obtained oriented blend films of PTB7 and PC71BM by the friction-transfer method from a solid block. Polarized UV-visible spectra show that the PTB7 chains were aligned parallel to the friction direction in the blend films. Grazing-incidence X-ray diffraction (GIXD) studies with synchrotron radiation suggested that the preferred orientation of PTB7 crystallites was face-on in the blend films. The GIXD results also showed the high uniaxial orientation of PTB7 chains in blend films. Photovoltaic devices were fabricated using the friction-transferred blend films of the PTB7 and PC71BM. These bulk heterojunction devices showed better performance than planar heterojunction devices fabricated using pure friction-transferred PTB7 films.

A new theory for X-ray diffraction

PubMed Central

Fewster, Paul F.

2014-01-01

This article proposes a new theory of X-ray scattering that has particular relevance to powder diffraction. The underlying concept of this theory is that the scattering from a crystal or crystallite is distributed throughout space: this leads to the effect that enhanced scatter can be observed at the ‘Bragg position’ even if the ‘Bragg condition’ is not satisfied. The scatter from a single crystal or crystallite, in any fixed orientation, has the fascinating property of contributing simultaneously to many ‘Bragg positions’. It also explains why diffraction peaks are obtained from samples with very few crystallites, which cannot be explained with the conventional theory. The intensity ratios for an Si powder sample are predicted with greater accuracy and the temperature factors are more realistic. Another consequence is that this new theory predicts a reliability in the intensity measurements which agrees much more closely with experimental observations compared to conventional theory that is based on ‘Bragg-type’ scatter. The role of dynamical effects (extinction etc.) is discussed and how they are suppressed with diffuse scattering. An alternative explanation for the Lorentz factor is presented that is more general and based on the capture volume in diffraction space. This theory, when applied to the scattering from powders, will evaluate the full scattering profile, including peak widths and the ‘background’. The theory should provide an increased understanding of the reliability of powder diffraction measurements, and may also have wider implications for the analysis of powder diffraction data, by increasing the accuracy of intensities predicted from structural models. PMID:24815975

Quantitative analysis of crystalline pharmaceuticals in powders and tablets by a pattern-fitting procedure using X-ray powder diffraction data.

PubMed

Yamamura, S; Momose, Y

2001-01-16

A pattern-fitting procedure for quantitative analysis of crystalline pharmaceuticals in solid dosage forms using X-ray powder diffraction data is described. This method is based on a procedure for pattern-fitting in crystal structure refinement, and observed X-ray scattering intensities were fitted to analytical expressions including some fitting parameters, i.e. scale factor, peak positions, peak widths and degree of preferred orientation of the crystallites. All fitting parameters were optimized by the non-linear least-squares procedure. Then the weight fraction of each component was determined from the optimized scale factors. In the present study, well-crystallized binary systems, zinc oxide-zinc sulfide (ZnO-ZnS) and salicylic acid-benzoic acid (SA-BA), were used as the samples. In analysis of the ZnO-ZnS system, the weight fraction of ZnO or ZnS could be determined quantitatively in the range of 5-95% in the case of both powders and tablets. In analysis of the SA-BA systems, the weight fraction of SA or BA could be determined quantitatively in the range of 20-80% in the case of both powders and tablets. Quantitative analysis applying this pattern-fitting procedure showed better reproducibility than other X-ray methods based on the linear or integral intensities of particular diffraction peaks. Analysis using this pattern-fitting procedure also has the advantage that the preferred orientation of the crystallites in solid dosage forms can be also determined in the course of quantitative analysis.

Bio-inspired dental fillings

NASA Astrophysics Data System (ADS)

Deyhle, Hans; Bunk, Oliver; Buser, Stefan; Krastl, Gabriel; Zitzmann, Nicola U.; Ilgenstein, Bernd; Beckmann, Felix; Pfeiffer, Franz; Weiger, Roland; Müller, Bert

2009-08-01

Human teeth are anisotropic composites. Dentin as the core material of the tooth consists of nanometer-sized calcium phosphate crystallites embedded in collagen fiber networks. It shows its anisotropy on the micrometer scale by its well-oriented microtubules. The detailed three-dimensional nanostructure of the hard tissues namely dentin and enamel, however, is not understood, although numerous studies on the anisotropic mechanical properties have been performed and evaluated to explain the tooth function including the enamel-dentin junction acting as effective crack barrier. Small angle X-ray scattering (SAXS) with a spatial resolution in the 10 μm range allows determining the size and orientation of the constituents on the nanometer scale with reasonable precision. So far, only some dental materials, i.e. the fiber reinforced posts exhibit anisotropic properties related to the micrometer-size glass fibers. Dental fillings, composed of nanostructures oriented similar to the natural hard tissues of teeth, however, do not exist at all. The current X-ray-based investigations of extracted human teeth provide evidence for oriented micro- and nanostructures in dentin and enamel. These fundamental quantitative findings result in profound knowledge to develop biologically inspired dental fillings with superior resistance to thermal and mechanical shocks.

Fabrication of oriented hydroxyapatite film by RF magnetron sputtering

NASA Astrophysics Data System (ADS)

Hirata, Keishiro; Kubota, Takafumi; Koyama, Daisuke; Takayanagi, Shinji; Matsukawa, Mami

2017-08-01

Hydroxyapatite (HAp) is compatible with bone tissue and is used mainly as a bone prosthetic material, especially as the coating of implants. Oriented HAp film is expected to be a high-quality epitaxial scaffold of the neonatal bone. To fabricate highly oriented HAp thin films via the conventional plasma process, we deposited the HAp film on a Ti coated silica glass substrate using RF magnetron sputtering in low substrate temperature conditions. The X-ray diffraction pattern of the film sample consisted of an intense (002) peak, corresponding to the highly oriented HAp. The (002) peak in XRD diagrams can be attributed either to the monoclinic phase or the hexagonal phase. Pole figure analysis showed that the (002) plane grew parallel to the surface of the substrate, without inclination. Transmission Electron Microscope analysis also showed the fabrication of aligned HAp crystallites. The selected area diffraction patterns indicated the existence of monoclinic phase. The existence of hexagonal phase could not be judged. These results indicate the uniaxial films fabricated by this technique enable to be the epitaxial scaffold of the neonatal bone. This scaffold can be expected to promote connection with the surrounding bone tissue and recovery of the dynamic characteristics of the bone.

In-situ measurement of objective lens data of a high-resolution electron microscope.

NASA Technical Reports Server (NTRS)

Heinemann, K.

1971-01-01

Bragg-reflex images of small individual crystallites in the size range of 20-100 A diameter with known crystallographic orientation were used in a transmission electron microscope to determine in-situ: (a) the relationship between objective lens current (or accelerating voltage) changes in discrete steps and corresponding defocus, (b) the spherical aberration coefficient, and (c) the axial chromatic aberration coefficient of the objective lens. The accuracy of the described method is better than 5%. The same specimen can advantageously be used to properly aline the illuminating beam with respect to the optical axis.

Preparation of Cu-doped nickel oxide thin films and their properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gowthami, V.; Meenakshi, M.; Anandhan, N.

2014-04-24

Copper doped Nickel oxide film was preferred on glass substrate by simple nebulizer technique keeping the substrate temperature at 350°C and characterized by X-ray diffraction (XRD), Photoluminescence (PL) and Four probe resistivity measurements. XRD studies indicated cubic structure and the crystallites are preferentially oriented along the [111] direction. Interesting results have been obtained from the study of PL spectra. A peak corresponding to 376nm in the emission spectra for 0%, 5% and 10% copper doped samples. The samples show sharp and strong UV emission corresponding to the near band edge emission under excitation of 275nm.

Formation of randomly distributed nano-tubes, -rods and -plates of n-type and p-type bismuth telluride via molecular legation

NASA Astrophysics Data System (ADS)

Ram, Jasa; Ghosal, Partha

2015-08-01

Randomly distributed nanotubes, nanorods and nanoplates of Bi0.5Sb1.5Te3 and Bi2Te2.7Se0.3 ternary compounds have been synthesized via a high yield solvo-thermal process. Prior to solvo-thermal heating at 230 °C for crystallization, we ensured molecular legation in room temperature reaction by complete reduction of precursor materials, dissolved in ethylene glycol and confirmed it by replicating Raman spectra of amorphous and crystalline materials. These nanomaterials have also been characterized using XRD, FE-SEM, EDS and TEM. Possible formation mechanism is also discussed. This single process will enable development of thermoelectric modules and random distribution of diverse morphology will be beneficial in retaining nano-crystallite sizes.

Recovery of Crystallographic Texture in Remineralized Dental Enamel

PubMed Central

Siddiqui, Samera; Anderson, Paul; Al-Jawad, Maisoon

2014-01-01

Dental caries is the most prevalent disease encountered by people of all ages around the world. Chemical changes occurring in the oral environment during the caries process alter the crystallography and microstructure of dental enamel resulting in loss of mechanical function. Little is known about the crystallographic effects of demineralization and remineralization. The motivation for this study was to develop understanding of the caries process at the crystallographic level in order to contribute towards a long term solution. In this study synchrotron X-ray diffraction combined with scanning electron microscopy and scanning microradiography have been used to correlate enamel crystallography, microstructure and mineral concentration respectively in enamel affected by natural caries and following artificial demineralization and remineralization regimes. In particular, the extent of destruction and re-formation of this complex structure has been measured. 2D diffraction patterns collected at the European Synchrotron Radiation Facility were used to quantify changes in the preferred orientation (crystallographic texture) and position of the (002) Bragg reflection within selected regions of interest in each tooth slice, and then correlated with the microstructure and local mineral mass. The results revealed that caries and artificial demineralization cause a large reduction in crystallographic texture which is coupled with the loss of mineral mass. Remineralization restores the texture to the original level seen in healthy enamel and restores mineral density. The results also showed that remineralization promotes ordered formation of new crystallites and growth of pre-existing crystallites which match the preferred orientation of healthy enamel. Combining microstructural and crystallographic characterization aids the understanding of caries and erosion processes and assists in the progress towards developing therapeutic treatments to allow affected enamel to regain structural integrity. PMID:25360532

Recovery of crystallographic texture in remineralized dental enamel.

PubMed

Siddiqui, Samera; Anderson, Paul; Al-Jawad, Maisoon

2014-01-01

Dental caries is the most prevalent disease encountered by people of all ages around the world. Chemical changes occurring in the oral environment during the caries process alter the crystallography and microstructure of dental enamel resulting in loss of mechanical function. Little is known about the crystallographic effects of demineralization and remineralization. The motivation for this study was to develop understanding of the caries process at the crystallographic level in order to contribute towards a long term solution. In this study synchrotron X-ray diffraction combined with scanning electron microscopy and scanning microradiography have been used to correlate enamel crystallography, microstructure and mineral concentration respectively in enamel affected by natural caries and following artificial demineralization and remineralization regimes. In particular, the extent of destruction and re-formation of this complex structure has been measured. 2D diffraction patterns collected at the European Synchrotron Radiation Facility were used to quantify changes in the preferred orientation (crystallographic texture) and position of the (002) Bragg reflection within selected regions of interest in each tooth slice, and then correlated with the microstructure and local mineral mass. The results revealed that caries and artificial demineralization cause a large reduction in crystallographic texture which is coupled with the loss of mineral mass. Remineralization restores the texture to the original level seen in healthy enamel and restores mineral density. The results also showed that remineralization promotes ordered formation of new crystallites and growth of pre-existing crystallites which match the preferred orientation of healthy enamel. Combining microstructural and crystallographic characterization aids the understanding of caries and erosion processes and assists in the progress towards developing therapeutic treatments to allow affected enamel to regain structural integrity.

Photoinduced Reactions of Benzophenone in Biaxially Oriented Polypropylene.

PubMed

Levin, Peter P; Efremkin, Alexei F; Krivandin, Aleksey V; Lomakin, Sergei M; Shatalova, Olga V; Khudyakov, Igor V

2018-05-03

The photoinduced reactions of benzophenone (B) in biaxially oriented polypropylene (BOPP) were studied with nanosecond laser photolysis (N 2 laser, λ337.1 nm). The first observed transient was a triplet state 3 B*. Decay of 3 B* led to formation of a radical pair (RP) of BH • and R • , where R • is a radical formed by hydrogen abstraction from BOPP (RH) by 3 B*. We studied BOPP after the preheating for a short time in a temperature range 298-423 K, which is essentially lower than its melting point of 453 K. All measurements with not-heated and with preheated (annealed) BOPP were made at 298 K. A radical pair (RP) apparently decays as a contact pair 3 [BH • , R • ] in nonheated BOPP. A critical phenomenon takes place: dissociation of RP with a formation of free radicals in the polymer bulk is observed at preheating temperature T crit ≈ 403 K and at a higher T. The physical process of heating and cooling of BOPP apparently resulted in the restructuring of crystallites, their agglomeration, shrinking of the distribution of crystallites according to their sizes in BOPP. Overall BOPP becomes softer which manifests itself in the radical kinetics. The decay kinetics of 3 B* and RP in the cage fits well the first-order law. Rate constants were obtained. Radicals BH • , which exit into the polymer bulk at temperatures of preheating T ≥ 403 K, decay by cross-termination according to the second-order law. A relatively high rate constant ∼10 8 M -1 ·s -1 for this reaction was obtained due to diffusion of BH • enclosed in the soft amorphous phase of BOPP. Properties of BOPP containing B were studied with ESR, DSC, IR, and WAXD.

Properties of nylon 12 balloons after thermal and liquid carbon dioxide treatments.

PubMed

Ro, Andrew J; Davé, Vipul

2013-03-01

Critical design attributes of angioplasty balloons include the following: tear resistance, high burst pressures, controlled compliance, and high fatigue. Balloons must have tear resistance and high burst pressures because a calcified stenosis can be hard and nominal pressures of up to 16 atm can be used to expand the balloon. The inflated balloon diameter must be a function of the inflation pressure, thus compliance is predictable and controlled. Reliable compliance is necessary to prevent damage to vessel walls, which may be caused by over-inflation. Balloons are often inflated multiple times in a clinical setting and they must be highly resistant to fatigue. These design attributes are dependent on the mechanical properties and polymer morphology of the balloon. The effects of residual stresses on shrinkage, crystallite orientation, balloon compliance, and mechanical properties were studied for angioplasty nylon 12 balloons. Residual stresses of these balloons were relieved by oven heat treatment and liquid CO2 exposure. Residual stresses were measured by quantifying shrinkage at 80 °C of excised balloon samples using a dynamic mechanical analyzer. Shrinkage was lower after oven heat treatment and liquid CO2 exposure compared to the as-received balloons, in the axial and radial directions. As-received, oven heat treated, and liquid CO2-exposed balloon samples exhibited similar thermal properties (T(g), T(m), X(t)). Crystallite orientation was not observed in the balloon cylindrical body using X-ray scattering and polarized light microscopy, which may be due to balloon fabrication conditions. Significant differences were not observed between the stress-strain curves, balloon compliance, and average burst pressures of the as-received, oven heat treated, and liquid CO2-exposed balloons. Copyright © 2012 Elsevier B.V. All rights reserved.

Microstructural evolution of diamond growth during HFCVD

NASA Technical Reports Server (NTRS)

Singh, J.

1994-01-01

High resolution transmission electron microscopy (HRTEM) was used to study the nucleation and growth mechanism of diamond by hot filament chemical vapor deposition (HFCVD) process. A novel technique has shown a direct evidence for the formation of the diamond-like carbon layer 8-14 nm thick in which small diamond micro-crystallites were embedded. These diamond micro-crystallites were formed as a result of transformation of diamond-like carbon into diamond. The diamond micro-crystallites present in the amorphous diamond-like carbon layer provided nucleation sites for diamond growth. Large diamond crystallites were observed to grow from these micro-crystallites. The mechanism of diamond growth will be presented based on experimental findings.

Extent and relevance of stacking disorder in “ice Ic”

PubMed Central

Kuhs, Werner F.; Sippel, Christian; Falenty, Andrzej; Hansen, Thomas C.

2012-01-01

A solid water phase commonly known as “cubic ice” or “ice Ic” is frequently encountered in various transitions between the solid, liquid, and gaseous phases of the water substance. It may form, e.g., by water freezing or vapor deposition in the Earth’s atmosphere or in extraterrestrial environments, and plays a central role in various cryopreservation techniques; its formation is observed over a wide temperature range from about 120 K up to the melting point of ice. There was multiple and compelling evidence in the past that this phase is not truly cubic but composed of disordered cubic and hexagonal stacking sequences. The complexity of the stacking disorder, however, appears to have been largely overlooked in most of the literature. By analyzing neutron diffraction data with our stacking-disorder model, we show that correlations between next-nearest layers are clearly developed, leading to marked deviations from a simple random stacking in almost all investigated cases. We follow the evolution of the stacking disorder as a function of time and temperature at conditions relevant to atmospheric processes; a continuous transformation toward normal hexagonal ice is observed. We establish a quantitative link between the crystallite size established by diffraction and electron microscopic images of the material; the crystallite size evolves from several nanometers into the micrometer range with progressive annealing. The crystallites are isometric with markedly rough surfaces parallel to the stacking direction, which has implications for atmospheric sciences. PMID:23236184

Demagnetizing fields of crystallites and a method for measuring the thermodynamic fields of quasi-single-crystal and polycrystalline thin YBa{sub 2}Cu{sub 3}O{sub 7-x} disks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rostami, Kh. R.

The role of the demagnetizing fields of crystallites in HTSC samples is studied. An increase in the crystallite size is shown to suppress the intra-and intercrystalline critical currents of the sample in lower fields. The demagnetizing fields of crystallites are shown to be one of the main causes of the fact that the Bean model is invalid for HTSC samples. A method is proposed to measure the thermodynamic field of a superconductor; this method allows the first thermodynamic critical magnetic fields of the sample and its crystallites and 'subcrystallites' to be measured with a high accuracy. The first thermodynamic criticalmore » magnetic fields are used to estimate the critical current density J{sub c} of the sample, crystallites, and subcrystallites.« less

On the Concept of Random Orientation in Far-Field Electromagnetic Scattering by Nonspherical Particles

NASA Technical Reports Server (NTRS)

Mishchenko, Michael I.; Yurkin, Maxim A.

2017-01-01

Although the model of randomly oriented nonspherical particles has been used in a great variety of applications of far-field electromagnetic scattering, it has never been defined in strict mathematical terms. In this Letter we use the formalism of Euler rigid-body rotations to clarify the concept of statistically random particle orientations and derive its immediate corollaries in the form of most general mathematical properties of the orientation-averaged extinction and scattering matrices. Our results serve to provide a rigorous mathematical foundation for numerous publications in which the notion of randomly oriented particles and its light-scattering implications have been considered intuitively obvious.

Direct measurement of free-energy barrier to nucleation of crystallites in amorphous silicon thin films

NASA Technical Reports Server (NTRS)

Shi, Frank G.

1994-01-01

A method is introduced to measure the free-energy barrier W(sup *), the activation energy, and activation entropy to nucleation of crystallites in amorphous solids, independent of the energy barrier to growth. The method allows one to determine the temperature dependence of W(sup *), and the effect of the preparation conditions of the initial amorphous phase, the dopants, and the crystallization methds on W(sup *). The method is applied to determine the free-energy barrier to nucleation of crystallites in amorphous silicon (a-Si) thin films. For thermally induced nucleation in a-Si thin films with annealing temperatures in the range of from 824 to 983 K, the free-energy barrier W(sup *) to nucleation of silicon crystals is about 2.0 - 2.1 eV regardless of the preparation conditions of the films. The observation supports the idea that a-Si transforms into an intermediate amorphous state through the structural relaxation prior to the onset of nucleation of crystallites in a-Si. The observation also indicates that the activation entropy may be an insignificant part of the free-energy barrier for the nucleation of crystallites in a-Si. Compared with the free-energy barrier to nucleation of crystallites in undoped a-Si films, a significant reduction is observed in the free-energy barrier to nucleation in Cu-doped a-Si films. For a-Si under irradiation of Xe(2+) at 10(exp 5) eV, the free-energy barrier to ion-induced nucleation of crystallites is shown to be about half of the value associated with thermal-induced nucleation of crystallites in a-Si under the otherwise same conditions, which is much more significant than previously expected. The present method has a general kinetic basis; it thus should be equally applicable to nucleation of crystallites in any amorphous elemental semiconductors and semiconductor alloys, metallic and polymeric glasses, and to nucleation of crystallites in melts and solutions.

Metrological characterization of X-ray diffraction methods at different acquisition geometries for determination of crystallite size in nano-scale materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Uvarov, Vladimir, E-mail: vladimiru@savion.huji.ac.il; Popov, Inna

2013-11-15

Crystallite size values were determined by X-ray diffraction methods for 183 powder samples. The tested size range was from a few to about several hundred nanometers. Crystallite size was calculated with direct use of the Scherrer equation, the Williamson–Hall method and the Rietveld procedure via the application of a series of commercial and free software. The results were statistically treated to estimate the significance of the difference in size resulting from these methods. We also estimated effect of acquisition conditions (Bragg–Brentano, parallel-beam geometry, step size, counting time) and data processing on the calculated crystallite size values. On the basis ofmore » the obtained results it is possible to conclude that direct use of the Scherrer equation, Williamson–Hall method and the Rietveld refinement employed by a series of software (EVA, PCW and TOPAS respectively) yield very close results for crystallite sizes less than 60 nm for parallel beam geometry and less than 100 nm for Bragg–Brentano geometry. However, we found that despite the fact that the differences between the crystallite sizes, which were calculated by various methods, are small by absolute values, they are statistically significant in some cases. The values of crystallite size determined from XRD were compared with those obtained by imaging in a transmission (TEM) and scanning electron microscopes (SEM). It was found that there was a good correlation in size only for crystallites smaller than 50 – 60 nm. Highlights: • The crystallite sizes for 183 nanopowders were calculated using different XRD methods • Obtained results were subject to statistical treatment • Results obtained with Bragg-Brentano and parallel beam geometries were compared • Influence of conditions of XRD pattern acquisition on results was estimated • Calculated by XRD crystallite sizes were compared with same obtained by TEM and SEM.« less

Conductivity of Nanowire Arrays under Random and Ordered Orientation Configurations

PubMed Central

Jagota, Milind; Tansu, Nelson

2015-01-01

A computational model was developed to analyze electrical conductivity of random metal nanowire networks. It was demonstrated for the first time through use of this model that a performance gain in random metal nanowire networks can be achieved by slightly restricting nanowire orientation. It was furthermore shown that heavily ordered configurations do not outperform configurations with some degree of randomness; randomness in the case of metal nanowire orientations acts to increase conductivity. PMID:25976936

Initial Steps of Rubicene Film Growth on Silicon Dioxide.

PubMed

Scherwitzl, Boris; Lukesch, Walter; Hirzer, Andreas; Albering, Jörg; Leising, Günther; Resel, Roland; Winkler, Adolf

2013-02-28

The film growth of the conjugated organic molecule rubicene on silicon dioxide was studied in detail. Since no structural data of the condensed material were available, we first produced high quality single crystals from solution and determined the crystal structure. This high purity material was used to prepare ultrathin films under ultrahigh vacuum conditions, by physical vapor deposition. Thermal desorption spectroscopy (TDS) was applied to delineate the adsorption and desorption kinetics. It could be shown that the initial sticking coefficient is only 0.2 ± 0.05, but the sticking coefficient increases with increasing coverage. TDS further revealed that first a closed, weakly bound bilayer develops (wetting layer), which dewets after further deposition of rubicene, leading to an island-like layer. These islands are crystalline and exhibit the same structure as the solution grown crystals. The orientation of the crystallites is with the (001) plane parallel to the substrate. A dewetting of the closed bilayer was also observed when the film was exposed to air. Furthermore, Ostwald ripening of the island-like film takes place under ambient conditions, leading to films composed of few, large crystallites. From TDS, we determined the heat of evaporation from the multilayer islands to be 1.47 eV, whereas the desorption energy from the first layer is only 1.25 eV.

Initial Steps of Rubicene Film Growth on Silicon Dioxide

PubMed Central

2013-01-01

The film growth of the conjugated organic molecule rubicene on silicon dioxide was studied in detail. Since no structural data of the condensed material were available, we first produced high quality single crystals from solution and determined the crystal structure. This high purity material was used to prepare ultrathin films under ultrahigh vacuum conditions, by physical vapor deposition. Thermal desorption spectroscopy (TDS) was applied to delineate the adsorption and desorption kinetics. It could be shown that the initial sticking coefficient is only 0.2 ± 0.05, but the sticking coefficient increases with increasing coverage. TDS further revealed that first a closed, weakly bound bilayer develops (wetting layer), which dewets after further deposition of rubicene, leading to an island-like layer. These islands are crystalline and exhibit the same structure as the solution grown crystals. The orientation of the crystallites is with the (001) plane parallel to the substrate. A dewetting of the closed bilayer was also observed when the film was exposed to air. Furthermore, Ostwald ripening of the island-like film takes place under ambient conditions, leading to films composed of few, large crystallites. From TDS, we determined the heat of evaporation from the multilayer islands to be 1.47 eV, whereas the desorption energy from the first layer is only 1.25 eV. PMID:23476720

Cellulose polymorphy, crystallite size, and the Segal crystallinity index

USDA-ARS?s Scientific Manuscript database

The X-ray diffraction-based Segal Crystallinity Index (CI) was calculated for simulated different sizes of crystallites for cellulose I' and II. The Mercury software was used, and different crystallite sizes were based on different input peak widths at half of the maximum peak intensity (pwhm). The ...

Crystallite size strain analysis of nanocrystalline La0.7Sr0.3MnO3 perovskite by Williamson-Hall plot method

NASA Astrophysics Data System (ADS)

Kumar, Dinesh; Verma, Narendra Kumar; Singh, Chandra Bhal; Singh, Akhilesh Kumar

2018-04-01

The nanocrystalline Sr-doped LaMnO3 (La0.7Sr0.3MnO3 = LSMO) perovskite manganites having different crystallite size were synthesized using the nitrate-glycine auto-combustion method. The phase purity of the manganites was checked by X-ray diffraction (XRD) measurement. The XRD patterns of the sample reveal that La0.7S0.3MnO3 crystallizes into rhombohedral crystal structure with space group R-3c. The size-dependence of structural lattice parameters have been investigated with the help of Rietveld refinement. The structural parameters increase as a function of crystallite size. The crystallite-size and internal strain as a function of crystallite-size have been calculated using Williamson-Hall plot.

Direct growth of nanocrystalline hexagonal boron nitride films on dielectric substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tay, Roland Yingjie; Temasek Laboratories@NTU, 50 Nanyang Avenue, Singapore, Singapore 639798; Tsang, Siu Hon

Atomically thin hexagonal-boron nitride (h-BN) films are primarily synthesized through chemical vapor deposition (CVD) on various catalytic transition metal substrates. In this work, a single-step metal-catalyst-free approach to obtain few- to multi-layer nanocrystalline h-BN (NCBN) directly on amorphous SiO{sub 2}/Si and quartz substrates is demonstrated. The as-grown thin films are continuous and smooth with no observable pinholes or wrinkles across the entire deposited substrate as inspected using optical and atomic force microscopy. The starting layers of NCBN orient itself parallel to the substrate, initiating the growth of the textured thin film. Formation of NCBN is due to the random andmore » uncontrolled nucleation of h-BN on the dielectric substrate surface with no epitaxial relation, unlike on metal surfaces. The crystallite size is ∼25 nm as determined by Raman spectroscopy. Transmission electron microscopy shows that the NCBN formed sheets of multi-stacked layers with controllable thickness from ∼2 to 25 nm. The absence of transfer process in this technique avoids any additional degradation, such as wrinkles, tears or folding and residues on the film which are detrimental to device performance. This work provides a wider perspective of CVD-grown h-BN and presents a viable route towards large-scale manufacturing of h-BN substrates and for coating applications.« less

The other prey-capture silk: Fibres made by glow-worms (Diptera: Keroplatidae) comprise cross-β-sheet crystallites in an abundant amorphous fraction.

PubMed

Walker, Andrew A; Weisman, Sarah; Trueman, Holly E; Merritt, David J; Sutherland, Tara D

2015-09-01

Glow-worms (larvae of dipteran genus Arachnocampa) are restricted to moist habitats where they capture flying prey using snares composed of highly extensible silk fibres and sticky mucus droplets. Little is known about the composition or structure of glow-worm snares, or the extent of possible convergence between glow-worm and arachnid capture silks. We characterised Arachnocampa richardsae silk and mucus using X-ray scattering, Fourier transform infrared spectroscopy and amino acid analysis. Silk but not mucus contained crystallites of the cross-β-sheet type, which occur in unrelated insect silks but have not been reported previously in fibres used for prey capture. Mucus proteins were rich in Gly (28.5%) and existed in predominantly a random coil structure, typical of many adhesive proteins. In contrast, the silk fibres were unusually rich in charged and polar residues, particularly Lys (18.1%), which we propose is related to their use in a highly hydrated state. Comparison of X-ray scattering, infrared spectroscopy and amino acid analysis data suggests that silk fibres contain a high fraction of disordered protein. We suggest that in the native hydrated state, silk fibres are capable of extension via deformation of both disordered regions and cross-β-sheet crystallites, and that high extensibility is an adaptation promoting successful prey capture. This study illustrates the rich variety of protein motifs that are available for recruitment into biopolymers, and how convergently evolved materials can nevertheless be based on fundamentally different protein structures. Crown Copyright © 2015. Published by Elsevier Inc. All rights reserved.

Material insights of HfO2-based integrated 1-transistor-1-resistor resistive random access memory devices processed by batch atomic layer deposition

PubMed Central

Niu, Gang; Kim, Hee-Dong; Roelofs, Robin; Perez, Eduardo; Schubert, Markus Andreas; Zaumseil, Peter; Costina, Ioan; Wenger, Christian

2016-01-01

With the continuous scaling of resistive random access memory (RRAM) devices, in-depth understanding of the physical mechanism and the material issues, particularly by directly studying integrated cells, become more and more important to further improve the device performances. In this work, HfO2-based integrated 1-transistor-1-resistor (1T1R) RRAM devices were processed in a standard 0.25 μm complementary-metal-oxide-semiconductor (CMOS) process line, using a batch atomic layer deposition (ALD) tool, which is particularly designed for mass production. We demonstrate a systematic study on TiN/Ti/HfO2/TiN/Si RRAM devices to correlate key material factors (nano-crystallites and carbon impurities) with the filament type resistive switching (RS) behaviours. The augmentation of the nano-crystallites density in the film increases the forming voltage of devices and its variation. Carbon residues in HfO2 films turn out to be an even more significant factor strongly impacting the RS behaviour. A relatively higher deposition temperature of 300 °C dramatically reduces the residual carbon concentration, thus leading to enhanced RS performances of devices, including lower power consumption, better endurance and higher reliability. Such thorough understanding on physical mechanism of RS and the correlation between material and device performances will facilitate the realization of high density and reliable embedded RRAM devices with low power consumption. PMID:27312225

Material insights of HfO2-based integrated 1-transistor-1-resistor resistive random access memory devices processed by batch atomic layer deposition

NASA Astrophysics Data System (ADS)

Niu, Gang; Kim, Hee-Dong; Roelofs, Robin; Perez, Eduardo; Schubert, Markus Andreas; Zaumseil, Peter; Costina, Ioan; Wenger, Christian

2016-06-01

With the continuous scaling of resistive random access memory (RRAM) devices, in-depth understanding of the physical mechanism and the material issues, particularly by directly studying integrated cells, become more and more important to further improve the device performances. In this work, HfO2-based integrated 1-transistor-1-resistor (1T1R) RRAM devices were processed in a standard 0.25 μm complementary-metal-oxide-semiconductor (CMOS) process line, using a batch atomic layer deposition (ALD) tool, which is particularly designed for mass production. We demonstrate a systematic study on TiN/Ti/HfO2/TiN/Si RRAM devices to correlate key material factors (nano-crystallites and carbon impurities) with the filament type resistive switching (RS) behaviours. The augmentation of the nano-crystallites density in the film increases the forming voltage of devices and its variation. Carbon residues in HfO2 films turn out to be an even more significant factor strongly impacting the RS behaviour. A relatively higher deposition temperature of 300 °C dramatically reduces the residual carbon concentration, thus leading to enhanced RS performances of devices, including lower power consumption, better endurance and higher reliability. Such thorough understanding on physical mechanism of RS and the correlation between material and device performances will facilitate the realization of high density and reliable embedded RRAM devices with low power consumption.

Icosahedral and decagonal quasicrystals of intermetallic compounds are multiple twins of cubic or orthorhombic crystals composed of very large atomic complexes with icosahedral point-group symmetry in cubic close packing or body-centered packing: Structure of decagonal Al6Pd

PubMed Central

Pauling, Linus

1989-01-01

A doubly icosahedral complex involves roughly spherical clusters of atoms with icosahedral point-group symmetry, which are themselves, in parallel orientation, icosahedrally packed. These complexes may form cubic crystallites; three structures of this sort have been identified. Analysis of electron diffraction photographs of the decagonal quasicrystal Al6Pd has led to its description as involving pentagonal twinning of an orthorhombic crystal with a = 51.6 Å, b = 37.6 Å, and c = 33.24 Å, with about 4202 atoms in the unit, comprising two 1980-atom doubly icosahedral complexes, each involving icosahedral packing of 45 44-atom icosahedral complexes (at 0 0 0 and 1/2 1/2 1/2) and 242 interstitial atoms. The complexes and clusters are oriented with one of their fivefold axes in the c-axis direction. Images PMID:16594092

Icosahedral and decagonal quasicrystals of intermetallic compounds are multiple twins of cubic or orthorhombic crystals composed of very large atomic complexes with icosahedral point-group symmetry in cubic close packing or body-centered packing: Structure of decagonal Al(6)Pd.

PubMed

Pauling, L

1989-12-01

A doubly icosahedral complex involves roughly spherical clusters of atoms with icosahedral point-group symmetry, which are themselves, in parallel orientation, icosahedrally packed. These complexes may form cubic crystallites; three structures of this sort have been identified. Analysis of electron diffraction photographs of the decagonal quasicrystal Al(6)Pd has led to its description as involving pentagonal twinning of an orthorhombic crystal with a = 51.6 A, b = 37.6 A, and c = 33.24 A, with about 4202 atoms in the unit, comprising two 1980-atom doubly icosahedral complexes, each involving icosahedral packing of 45 44-atom icosahedral complexes (at 0 0 0 and 1/2 1/2 1/2) and 242 interstitial atoms. The complexes and clusters are oriented with one of their fivefold axes in the c-axis direction.

Challenges in quantitative crystallographic characterization of 3D thin films by ACOM-TEM.

PubMed

Kobler, A; Kübel, C

2017-02-01

Automated crystal orientation mapping for transmission electron microscopy (ACOM-TEM) has become an easy to use method for the investigation of crystalline materials and complements other TEM methods by adding local crystallographic information over large areas. It fills the gap between high resolution electron microscopy and electron back scatter diffraction in terms of spatial resolution. Recent investigations showed that spot diffraction ACOM-TEM is a quantitative method with respect to sample parameters like grain size, twin density, orientation density and others. It can even be used in combination with in-situ tensile or thermal testing. However, there are limitations of the current method. In this paper we discuss some of the challenges and discuss solutions, e.g. we present an ambiguity filter that reduces the number of pixels with a '180° ambiguity problem'. For that an ACOM-TEM tilt series of nanocrystalline Pd thin films with overlapping crystallites was acquired and analyzed. Copyright © 2017. Published by Elsevier B.V.

Theoretical approach to embed nanocrystallites into a bulk crystalline matrix and the embedding influence on the electronic band structure and optical properties of the resulting heterostructures

NASA Astrophysics Data System (ADS)

Balagan, Semyon A.; Nazarov, Vladimir U.; Shevlyagin, Alexander V.; Goroshko, Dmitrii L.; Galkin, Nikolay G.

2018-06-01

We develop an approach and present results of the combined molecular dynamics and density functional theory calculations of the structural and optical properties of the nanometer-sized crystallites embedded in a bulk crystalline matrix. The method is designed and implemented for both compatible and incompatible lattices of the nanocrystallite (NC) and the host matrix, when determining the NC optimal orientation relative to the matrix constitutes a challenging problem. We suggest and substantiate an expression for the cost function of the search algorithm, which is the energy per supercell generalized for varying number of atoms in the latter. The epitaxial relationships at the Si/NC interfaces and the optical properties are obtained and found to be in a reasonable agreement with experimental data. Dielectric functions show significant sensitivity to the NC’s orientation relative to the matrix at energies below 0.5 eV.

Inserting Thienyl Linkers into Conjugated Molecules for Efficient Multilevel Electronic Memory: A New Understanding of Charge-Trapping in Organic Materials.

PubMed

Li, Yang; Li, Hua; He, Jinghui; Xu, Qingfeng; Li, Najun; Chen, Dongyun; Lu, Jianmei

2016-03-18

The practical application of organic memory devices requires low power consumption and reliable device quality. Herein, we report that inserting thienyl units into D-π-A molecules can improve these parameters by tuning the texture of the film. Theoretical calculations revealed that introducing thienyl π bridges increased the planarity of the molecular backbone and extended the D-A conjugation. Thus, molecules with more thienyl spacers showed improved stacking and orientation in the film state relative to the substrates. The corresponding sandwiched memory devices showed enhanced ternary memory behavior, with lower threshold voltages and better repeatability. The conductive switching and variation in the performance of the memory devices were interpreted by using an extended-charge-trapping mechanism. Our study suggests that judicious molecular engineering can facilitate control of the orientation of the crystallite in the solid state to achieve superior multilevel memory performance. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Theoretical approach to embed nanocrystallites into a bulk crystalline matrix and the embedding influence on the electronic band structure and optical properties of the resulting heterostructures.

PubMed

Balagan, Semyon Anatolyevich; Nazarov, Vladimir U; Shevlyagin, Alexander Vladimirovich; Goroshko, Dmitrii L; Galkin, N G

2018-05-03

We develop an approach and present results of the combined molecular dynamics and density functional theory calculations of the structural and optical properties of the nanometer-sized crystallites embedded in a bulk crystalline matrix. The method is designed and implemented for both compatible and incompatible lattices of the nanocrystallite (NC) and the host matrix, when determining the NC optimal orientation relative to the matrix constitutes a challenging problem. We suggest and substantiate an expression for the cost function of the search algorithm, which is the energy per supercell generalized for varying number of atoms in the latter. The epitaxial relationships at the Si/NC interfaces and the optical properties are obtained and found to be in a reasonable agreement with experimental data. Dielectric functions show significant sensitivity to the NC's orientation relative to the matrix at energies below 0.5 eV. © 2018 IOP Publishing Ltd.

Crystallite-size dependency of the pressure and temperature response in nanoparticles of magnesia

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rodenbough, Philip P.; Chan, Siu-Wai

We have carefully measured the hydrostatic compressibility and thermal expansion for a series of magnesia nanoparticles. We found a strong variance in these mechanical properties as crystallite size changed. For decreasing crystallite sizes, bulk modulus first increased, then reached a modest maximum of 165 GPa at an intermediate crystallite size of 14 nm, and then decreased thereafter to 77 GPa at 9 nm. Thermal expansion, meanwhile, decreased continuously to 70% of bulk value at 9 nm. These results are consistent to nano-ceria and together provide important insights into the thermal-mechanical structural properties of oxide nanoparticles.

STEM-HAADF electron microscopy analysis of the central dark line defect of human tooth enamel crystallites.

PubMed

Gasga, Jose Reyes; Carbajal-de-la-Torre, Georgina; Bres, Etienne; Gil-Chavarria, Ivet M; Rodríguez-Hernández, Ana G; Garcia-Garcia, Ramiro

2008-02-01

When human tooth enamel is observed with the Transmission Electron Microscope (TEM), a structural defect is registered in the central region of their nanometric grains or crystallites. This defect has been named as Central Dark Line (CDL) and its structure and function in the enamel structure have been unknown yet. In this work we present the TEM analysis to these crystallites using the High Angle Annular Dark Field (HAADF) technique. Our results suggest that the CDL region is the calcium richest part of the human tooth enamel crystallites.

Synthetic Control of Crystallite Size of Silver Vanadium Phosphorous Oxide (Ag 0.50VOPO 4·1.9H 2O): Impact on Electrochemistry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huie, Matthew M.; Marschilok, Amy C.; Takeuchi, Esther S.

Here, this report describes a synthetic approach to control the crystallite size of silver vanadium phosphorous oxide, Ag 0.50VOPO 4·1.9H 2O, and the impact on electrochemistry in lithium based batteries. Ag 0.50VOPO 4·1.9H 2O was synthesized using a stirred hydrothermal method over a range of temperatures. X-ray diffraction (XRD) was used to confirm the crystalline phase and the crystallite size sizes of 11, 22, 38, 40, 49, and 120 nm. Particle shape was plate-like with edges <1 micron to >10 microns. Under galvanostatic reduction the samples with 22 nm crystallites and 880 nm particles produced the highest capacity, ~25% moremore » capacity than the 120 nm sample. Notably, the 11 nm sample resulted in reduced delivered capacity and higher resistance consistent with increased grain boundaries contributing to resistance. Under intermittent pulsing ohmic resistance decreased with increasing crystallite size from 11 nm to 120 nm implying that electrical conduction within a crystal is more facile than between crystallites and across grain boundaries. Finally, this systematic study of material dimension shows that crystallite size impacts deliverable capacity as well as cell resistance where both interparticle and intraparticle transport are important.« less

Microwave-Assisted Synthesis of Silver Vanadium Phosphorus Oxide, Ag 2VO 2PO 4 : Crystallite Size Control and Impact on Electrochemistry

DOE PAGES

Huang, Jianping; Marschilok, Amy C.; Takeuchi, Esther S.; ...

2016-03-07

We study silver vanadium phosphorus oxide, Ag 2VO 2PO 4, that is a promising cathode material for Li batteries due in part to its large capacity and high current capability. Herein, a new synthesis of Ag 2VO 2PO 4 based on microwave heating is presented, where the reaction time is reduced by approximately 100× relative to other reported methods, and the crystallite size is controlled via synthesis temperature, showing a linear correlation of crystallite size with temperature. Notably, under galvanostatic reduction, the Ag 2VO 2PO 4 sample with the smallest crystallite size delivers the highest capacity and shows the highestmore » loaded voltage. Further, pulse discharge tests show a significant resistance decrease during the initial discharge coincident with the formation of Ag metal. Thus, the magnitude of the resistance decrease observed during pulse tests depends on the Ag 2VO 2PO 4 crystallite size, with the largest resistance decrease observed for the smallest crystallite size. Additional electrochemical measurements indicate a quasi-reversible redox reaction involving Li + insertion/deinsertion, with capacity fade due to structural changes associated with the discharge/charge process. In summary, this work demonstrates a faster synthetic approach for bimetallic polyanionic materials which also provides the opportunity for tuning of electrochemical properties through control of material physical properties such as crystallite size.« less

Synthetic Control of Crystallite Size of Silver Vanadium Phosphorous Oxide (Ag 0.50VOPO 4·1.9H 2O): Impact on Electrochemistry

DOE PAGES

Huie, Matthew M.; Marschilok, Amy C.; Takeuchi, Esther S.; ...

2017-04-12

Here, this report describes a synthetic approach to control the crystallite size of silver vanadium phosphorous oxide, Ag 0.50VOPO 4·1.9H 2O, and the impact on electrochemistry in lithium based batteries. Ag 0.50VOPO 4·1.9H 2O was synthesized using a stirred hydrothermal method over a range of temperatures. X-ray diffraction (XRD) was used to confirm the crystalline phase and the crystallite size sizes of 11, 22, 38, 40, 49, and 120 nm. Particle shape was plate-like with edges <1 micron to >10 microns. Under galvanostatic reduction the samples with 22 nm crystallites and 880 nm particles produced the highest capacity, ~25% moremore » capacity than the 120 nm sample. Notably, the 11 nm sample resulted in reduced delivered capacity and higher resistance consistent with increased grain boundaries contributing to resistance. Under intermittent pulsing ohmic resistance decreased with increasing crystallite size from 11 nm to 120 nm implying that electrical conduction within a crystal is more facile than between crystallites and across grain boundaries. Finally, this systematic study of material dimension shows that crystallite size impacts deliverable capacity as well as cell resistance where both interparticle and intraparticle transport are important.« less

Thermal conductivity analysis and applications of nanocellulose materials

PubMed Central

Uetani, Kojiro; Hatori, Kimihito

2017-01-01

Abstract In this review, we summarize the recent progress in thermal conductivity analysis of nanocellulose materials called cellulose nanopapers, and compare them with polymeric materials, including neat polymers, composites, and traditional paper. It is important to individually measure the in-plane and through-plane heat-conducting properties of two-dimensional planar materials, so steady-state and non-equilibrium methods, in particular the laser spot periodic heating radiation thermometry method, are reviewed. The structural dependency of cellulose nanopaper on thermal conduction is described in terms of the crystallite size effect, fibre orientation, and interfacial thermal resistance between fibres and small pores. The novel applications of cellulose as thermally conductive transparent materials and thermal-guiding materials are also discussed. PMID:29152020

The Effects of ph on Structural and Optical Characterization of Iron Oxide Thin Films

NASA Astrophysics Data System (ADS)

Tezel, Fatma Meydaneri; Özdemir, Osman; Kariper, I. Afşin

In this study, the iron oxide thin films have been produced by chemical bath deposition (CBD) method as a function of pH onto amorphous glass substrates. The surface images of the films were investigated with scanning electron microscope (SEM). The crystal structures, orientation of crystallization, crystallite sizes, and dislocation density i.e. structural properties of the thin films were analyzed with X-ray diffraction (XRD). The optical band gap (Eg), optical transmission (T%), reflectivity (R%), absorption coefficient (α), refraction index (n), extinction coefficient (k) and dielectric constant (ɛ) of the thin films were investigated depending on pH, deposition time, solution temperature, substrate temperature, thickness of the films by UV-VIS spectrometer.

Energy-dispersive neutron imaging and diffraction of magnetically driven twins in a Ni2MnGa single crystal magnetic shape memory alloy

NASA Astrophysics Data System (ADS)

Kabra, Saurabh; Kelleher, Joe; Kockelmann, Winfried; Gutmann, Matthias; Tremsin, Anton

2016-09-01

Single crystals of a partially twinned magnetic shape memory alloy, Ni2MnGa, were imaged using neutron diffraction and energy-resolved imaging techniques at the ISIS spallation neutron source. Single crystal neutron diffraction showed that the crystal produces two twin variants with a specific crystallographic relationship. Transmission images were captured using a time of flight MCP/Timepix neutron counting detector. The twinned and untwinned regions were clearly distinguishable in images corresponding to narrow-energy transmission images. Further, the spatially-resolved transmission spectra were used to elucidate the orientations of the crystallites in the different volumes of the crystal.

Machine Learning and Infrared Thermography for Fiber Orientation Assessment on Randomly-Oriented Strands Parts.

PubMed

Fernandes, Henrique; Zhang, Hai; Figueiredo, Alisson; Malheiros, Fernando; Ignacio, Luis Henrique; Sfarra, Stefano; Ibarra-Castanedo, Clemente; Guimaraes, Gilmar; Maldague, Xavier

2018-01-19

The use of fiber reinforced materials such as randomly-oriented strands has grown in recent years, especially for manufacturing of aerospace composite structures. This growth is mainly due to their advantageous properties: they are lighter and more resistant to corrosion when compared to metals and are more easily shaped than continuous fiber composites. The resistance and stiffness of these materials are directly related to their fiber orientation. Thus, efficient approaches to assess their fiber orientation are in demand. In this paper, a non-destructive evaluation method is applied to assess the fiber orientation on laminates reinforced with randomly-oriented strands. More specifically, a method called pulsed thermal ellipsometry combined with an artificial neural network, a machine learning technique, is used in order to estimate the fiber orientation on the surface of inspected parts. Results showed that the method can be potentially used to inspect large areas with good accuracy and speed.

Machine Learning and Infrared Thermography for Fiber Orientation Assessment on Randomly-Oriented Strands Parts

PubMed Central

Maldague, Xavier

2018-01-01

The use of fiber reinforced materials such as randomly-oriented strands has grown in recent years, especially for manufacturing of aerospace composite structures. This growth is mainly due to their advantageous properties: they are lighter and more resistant to corrosion when compared to metals and are more easily shaped than continuous fiber composites. The resistance and stiffness of these materials are directly related to their fiber orientation. Thus, efficient approaches to assess their fiber orientation are in demand. In this paper, a non-destructive evaluation method is applied to assess the fiber orientation on laminates reinforced with randomly-oriented strands. More specifically, a method called pulsed thermal ellipsometry combined with an artificial neural network, a machine learning technique, is used in order to estimate the fiber orientation on the surface of inspected parts. Results showed that the method can be potentially used to inspect large areas with good accuracy and speed. PMID:29351240

Phase diagrams of ferroelectric nanocrystals strained by an elastic matrix

NASA Astrophysics Data System (ADS)

Nikitchenko, A. I.; Azovtsev, A. V.; Pertsev, N. A.

2018-01-01

Ferroelectric crystallites embedded into a dielectric matrix experience temperature-dependent elastic strains caused by differences in the thermal expansion of the crystallites and the matrix. Owing to the electrostriction, these lattice strains may affect polarization states of ferroelectric inclusions significantly, making them different from those of a stress-free bulk crystal. Here, using a nonlinear thermodynamic theory, we study the mechanical effect of elastic matrix on the phase states of embedded single-domain ferroelectric nanocrystals. Their equilibrium polarization states are determined by minimizing a special thermodynamic potential that describes the energetics of an ellipsoidal ferroelectric inclusion surrounded by a linear elastic medium. To demonstrate the stability ranges of such states for a given material combination, we construct a phase diagram, where the inclusion’s shape anisotropy and temperature are used as two parameters. The ‘shape-temperature’ phase diagrams are calculated numerically for PbTiO3 and BaTiO3 nanocrystals embedded into representative dielectric matrices generating tensile (silica glass) or compressive (potassium silicate glass) thermal stresses inside ferroelectric inclusions. The developed phase maps demonstrate that the joint effect of thermal stresses and matrix-induced elastic clamping of ferroelectric inclusions gives rise to several important features in the polarization behavior of PbTiO3 and BaTiO3 nanocrystals. In particular, the Curie temperature displays a nonmonotonic variation with the ellipsoid’s aspect ratio, being minimal for spherical inclusions. Furthermore, the diagrams show that the polarization orientation with respect to the ellipsoid’s symmetry axis is controlled by the shape anisotropy and the sign of thermal stresses. Under certain conditions, the mechanical inclusion-matrix interaction qualitatively alters the evolution of ferroelectric states on cooling, inducing a structural transition in PbTiO3 nanocrystals and suppressing in BaTiO3 inclusions some transformations occurring in their bulk counterpart. The constructed phase maps open the possibility to calculate dielectric properties of strained PbTiO3 and BaTiO3 nanocrystals and ferroelectric nanocomposites comprising such crystallites.

Features of structural response of mechanically loaded crystallites to irradiation

NASA Astrophysics Data System (ADS)

Korchuganov, Aleksandr V.

2015-10-01

A molecular dynamics method is employed to investigate the origin and evolution of plastic deformation in elastically deformed iron and vanadium crystallites due to atomic displacement cascades. Elastic stress states of crystallites result from different degrees of specimen deformation. Crystallites are deformed under constant-volume conditions. Atomic displacement cascades with the primary knock-on atom energy up to 50 keV are generated in loaded specimens. It is shown that irradiation may cause not only the Frenkel pair formation but also large-scale structural rearrangements outside the irradiated area, which prove to be similar to rearrangements proceeding by the twinning mechanism in mechanically loaded specimens.

Effect of roll hot press temperature on crystallite size of PVDF film

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hartono, Ambran, E-mail: ambranhartono@yahoo.com; Sanjaya, Edi; Djamal, Mitra

2014-03-24

Fabrication PVDF films have been made using Hot Roll Press. Preparation of samples carried out for nine different temperatures. This condition is carried out to see the effect of Roll Hot Press temperature on the size of the crystallite of PVDF films. To obtain the diffraction pattern of sample characterization is performed using X-Ray Diffraction. Furthermore, from the diffraction pattern is obtained, the calculation to determine the crystallite size of the sample by using the Scherrer equation. From the experimental results and the calculation of crystallite sizes obtained for the samples with temperature 130 °C up to 170 °C respectivelymore » increased from 7.2 nm up to 20.54 nm. These results show that increasing temperatures will also increase the size of the crystallite of the sample. This happens because with the increasing temperature causes the higher the degree of crystallization of PVDF film sample is formed, so that the crystallite size also increases. This condition indicates that the specific volume or size of the crystals depends on the magnitude of the temperature as it has been studied by Nakagawa.« less

An insight into the influence of crystallite size on the performances of microsized spherical Li(Ni0.5Co0.2Mn0.3)O2 cathode material composed of aggregated nanosized particles

NASA Astrophysics Data System (ADS)

Fan, Guangxin; Wen, Yin; Liu, Baozhong; Yang, Wenpeng

2018-02-01

Relationships between the performance and the crystallite size of the microsized spherical Li(Ni0.5Co0.2Mn0.3)O2 cathode material composed of aggregated nanosized primary particles have been comprehensively studied. The cathode material was synthesized by a high-temperature solid-state method. The results obtained by XRD, Rietveld refinement, SEM, HR-TEM, DSC, and galvanostatic test show that the crystallite size (XS) of Li(Ni0.5Co0.2Mn0.3)O2 is greatly affected by the temperature in the range of 750 to 820 °C. Most of all, the crystallite size plays a unique role in the performance of the material. That is, the electrochemical characteristics of Li(Ni0.5Co0.2Mn0.3)O2, such as discharge capacity, rate performance, and thermal stability, are closely related to the crystallite size. Furthermore, the retention of discharge capacity is determined by that of crystallite size in Li(Ni0.5Co0.2Mn0.3)O2 after 100 cycles.

Structure-mechanical function relations at nano-scale in heat-affected human dental tissue.

PubMed

Sui, Tan; Sandholzer, Michael A; Le Bourhis, Eric; Baimpas, Nikolaos; Landini, Gabriel; Korsunsky, Alexander M

2014-04-01

The knowledge of the mechanical properties of dental materials related to their hierarchical structure is essential for understanding and predicting the effect of microstructural alterations on the performance of dental tissues in the context of forensic and archaeological investigation as well as laser irradiation treatment of caries. So far, few studies have focused on the nano-scale structure-mechanical function relations of human teeth altered by chemical or thermal treatment. The response of dental tissues to thermal treatment is thought to be strongly affected by the mineral crystallite size, their spatial arrangement and preferred orientation. In this study, synchrotron-based small and wide angle X-ray scattering (SAXS/WAXS) techniques were used to investigate the micro-structural alterations (mean crystalline thickness, crystal perfection and degree of alignment) of heat-affected dentine and enamel in human dental teeth. Additionally, nanoindentation mapping was applied to detect the spatial and temperature-dependent nano-mechanical properties variation. The SAXS/WAXS results revealed that the mean crystalline thickness distribution in dentine was more uniform compared with that in enamel. Although in general the mean crystalline thickness increased both in dentine and enamel as the temperature increased, the local structural variations gradually reduced. Meanwhile, the hardness and reduced modulus in enamel decreased as the temperature increased, while for dentine, the tendency reversed at high temperature. The analysis of the correlation between the ultrastructure and mechanical properties coupled with the effect of temperature demonstrates the effect of mean thickness and orientation on the local variation of mechanical property. This structural-mechanical property alteration is likely to be due to changes of HAp crystallites, thus dentine and enamel exhibit different responses at different temperatures. Our results enable an improved understanding of the mechanical properties correlation in hierarchical biological materials, and human dental tissue in particular. Copyright © 2013 Elsevier Ltd. All rights reserved.

Structure/Function Analysis of Cotton-Based Peptide-Cellulose Conjugates: Spatiotemporal/Kinetic Assessment of Protease Aerogels Compared to Nanocrystalline and Paper Cellulose

PubMed Central

Edwards, J. Vincent; Fontenot, Krystal; Liebner, Falk; Pircher, Nicole Doyle nee; French, Alfred D.; Condon, Brian D.

2018-01-01

Nanocellulose has high specific surface area, hydration properties, and ease of derivatization to prepare protease sensors. A Human Neutrophil Elastase sensor designed with a nanocellulose aerogel transducer surface derived from cotton is compared with cotton filter paper, and nanocrystalline cellulose versions of the sensor. X-ray crystallography was employed along with Michaelis–Menten enzyme kinetics, and circular dichroism to contrast the structure/function relations of the peptide-cellulose conjugate conformation to enzyme/substrate binding and turnover rates. The nanocellulosic aerogel was found to have a cellulose II structure. The spatiotemporal relation of crystallite surface to peptide-cellulose conformation is discussed in light of observed enzyme kinetics. A higher substrate binding affinity (Km) of elastase was observed with the nanocellulose aerogel and nanocrystalline peptide-cellulose conjugates than with the solution-based elastase substrate. An increased Km observed for the nanocellulosic aerogel sensor yields a higher enzyme efficiency (kcat/Km), attributable to binding of the serine protease to the negatively charged cellulose surface. The effect of crystallite size and β-turn peptide conformation are related to the peptide-cellulose kinetics. Models demonstrating the orientation of cellulose to peptide O6-hydroxymethyl rotamers of the conjugates at the surface of the cellulose crystal suggest the relative accessibility of the peptide-cellulose conjugates for enzyme active site binding. PMID:29534033

Structure/Function Analysis of Cotton-Based Peptide-Cellulose Conjugates: Spatiotemporal/Kinetic Assessment of Protease Aerogels Compared to Nanocrystalline and Paper Cellulose.

PubMed

Edwards, J Vincent; Fontenot, Krystal; Liebner, Falk; Pircher, Nicole Doyle Nee; French, Alfred D; Condon, Brian D

2018-03-13

Nanocellulose has high specific surface area, hydration properties, and ease of derivatization to prepare protease sensors. A Human Neutrophil Elastase sensor designed with a nanocellulose aerogel transducer surface derived from cotton is compared with cotton filter paper, and nanocrystalline cellulose versions of the sensor. X-ray crystallography was employed along with Michaelis-Menten enzyme kinetics, and circular dichroism to contrast the structure/function relations of the peptide-cellulose conjugate conformation to enzyme/substrate binding and turnover rates. The nanocellulosic aerogel was found to have a cellulose II structure. The spatiotemporal relation of crystallite surface to peptide-cellulose conformation is discussed in light of observed enzyme kinetics. A higher substrate binding affinity ( K m ) of elastase was observed with the nanocellulose aerogel and nanocrystalline peptide-cellulose conjugates than with the solution-based elastase substrate. An increased K m observed for the nanocellulosic aerogel sensor yields a higher enzyme efficiency ( k cat / K m ), attributable to binding of the serine protease to the negatively charged cellulose surface. The effect of crystallite size and β-turn peptide conformation are related to the peptide-cellulose kinetics. Models demonstrating the orientation of cellulose to peptide O6-hydroxymethyl rotamers of the conjugates at the surface of the cellulose crystal suggest the relative accessibility of the peptide-cellulose conjugates for enzyme active site binding.

Effect of Annealing Temperature on Structural and Optical Properties of Sol-Gel-Derived ZnO Thin Films

NASA Astrophysics Data System (ADS)

Arif, Mohd.; Sanger, Amit; Vilarinho, Paula M.; Singh, Arun

2018-04-01

Nanocrystalline ZnO thin films were deposited on glass substrate via sol-gel dip-coating technique then annealed at 300°C, 400°C, and 500°C for 1 h. Their optical, structural, and morphological properties were studied using ultraviolet-visible (UV-Vis) spectrophotometry, x-ray diffraction (XRD) analysis, and scanning electron microscopy (SEM). XRD diffraction revealed that the crystalline nature of the thin films increased with increasing annealing temperature. The c-axis orientation improved, and the grain size increased, as indicated by increased intensity of the (002) plane peak at 2θ = 34.42° corresponding to hexagonal ZnO crystal. The average crystallite size of the thin films ranged from 13 nm to 23 nm. Increasing the annealing temperature resulted in larger crystallite size and higher crystallinity with increased surface roughness. The grain size according to SEM analysis was in good agreement with the x-ray diffraction data. The optical bandgap of the thin films narrowed with increasing annealing temperature, lying in the range of 3.14 eV to 3.02 eV. The transmission of the thin films was as high as 94% within the visible region. The thickness of the thin films was 400 nm, as measured by ellipsometry, after annealing at the different temperatures of 300°C, 400°C, and 500°C.

Size dependent compressibility of nano-ceria: Minimum near 33 nm

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rodenbough, Philip P.; Chemistry Department, Columbia University, New York, New York 10027; Song, Junhua

2015-04-20

We report the crystallite-size-dependency of the compressibility of nanoceria under hydrostatic pressure for a wide variety of crystallite diameters and comment on the size-based trends indicating an extremum near 33 nm. Uniform nano-crystals of ceria were synthesized by basic precipitation from cerium (III) nitrate. Size-control was achieved by adjusting mixing time and, for larger particles, a subsequent annealing temperature. The nano-crystals were characterized by transmission electron microscopy and standard ambient x-ray diffraction (XRD). Compressibility, or its reciprocal, bulk modulus, was measured with high-pressure XRD at LBL-ALS, using helium, neon, or argon as the pressure-transmitting medium for all samples. As crystallite sizemore » decreased below 100 nm, the bulk modulus first increased, and then decreased, achieving a maximum near a crystallite diameter of 33 nm. We review earlier work and examine several possible explanations for the peaking of bulk modulus at an intermediate crystallite size.« less

Apparently enhanced magnetization of Cu(I)-modified γ-Fe2O3 based nanoparticles

NASA Astrophysics Data System (ADS)

Qiu, Xiaoyan; He, Zhenghong; Mao, Hong; Zhang, Ting; Lin, Yueqiang; Liu, Xiaodong; Li, Decai; Meng, Xiangshen; Li, Jian

2017-11-01

Using a chemically induced transition method in FeCl2 solution, γ-Fe2O3 based magnetic nanoparticles, in which γ-Fe2O3 crystallites were coated with FeCl3ṡ6H2O, were prepared. During the synthesis of the γ-Fe2O3 nanoparticles Cu(I) modification of the particles was attempted. According to the results from both magnetization measurements and structural characterization, it was judged that a magnetic silent "dead layer", which can be attributed to spin disorder in the surface of the γ-Fe2O3 crystallites due to breaking of the crystal symmetry, existed in the unmodified particles. For the Cu(I)-modified sample, the CuCl thin layer on the γ-Fe2O3 crystallites incurred the crystal symmetry to reduce the spin disorder, which "awakened" the "dead layer" on the surface of the γ-Fe2O3 crystallites, enhancing the apparent magnetization of the Cu(I)-modified nanoparticles. It was determined that the surface spin disorder of the magnetic crystallite could be related to the coating layer on the crystallite, and can be modified by altering the coating layer to enhance the effective magnetization of the magnetic nanoparticles.

Effects of alcohol solvents on anatase TiO2 nanocrystals prepared by microwave-assisted solvothermal method

NASA Astrophysics Data System (ADS)

Wu, Yu-Chun; Tai, Yu-Chuen

2013-06-01

The effects of solvents on the anatase crystallite size prepared by sol-gel microwave-assisted solvothermal method were investigated in this study. Eight different alcohol solvents classified into two groups, i.e. primary and secondary/ternary alcohols, were used as reaction media and the effects of solvent properties, such as dielectric constant, boiling point, and internal pressure during the solvothermal process, on the crystallite size and shape were analyzed. According to the experimental results, selecting the solvent type allowed not only the alteration of the crystallite size but also the crystallite shape without the need of any additives. The boiling point of solvent was determined as the major factor influencing the crystallite size. Among the solvents with similar boiling points, the solvent with a higher carbon number produced the smaller crystallite size because of steric hindrance effect. In addition, the carboxyl groups dissociated from the alcohol solvent can play a role as a structural capping agent to retard the anatase crystal growth along the [001] direction and led to a rectangular crystallite shape with preferred development in {001} facets. On the other hand, the alcoholysis reaction was found easily occurred between the primary alcohol and isopropoxide that effectively limited the hydrolysis and condensation processes but also suppressed the structural capping effect. Therefore, the anatase crystals prepared in the primary alcohols became exceptionally small and showed spherical shape. Finally, the anatase crystals prepared using isopropanol demonstrated the highest photocatalytic activity due to its evident preferred crystallization in the {001} facets.

Cavitational synthesis of nanostructured inorganic materials for enhanced heterogeneous catalysis

NASA Astrophysics Data System (ADS)

Krausz, Ivo Michael

The synthesis of nanostructured inorganic materials by hydrodynamic cavitation processing was investigated. The goal of this work was to develop a general synthesis technique for nanostructured materials with a control over crystallite size in the 1--20 nm range. Materials with crystallite sizes in this range have shown enhanced catalytic activity compared to materials with larger crystallite sizes. Several supported and unsupported inorganic materials were studied to understand the effects of cavitation on crystallite size. Cavitation processing of calcium fluoride resulted in more spherical particles, attached to one another by melted necks. This work produced the first evidence of shock wave heating of nanostructured materials by hydrodynamic cavitation processing. Hydrodynamic cavitation synthesis of various catalytic support materials indicated that their phase composition and purity could be controlled by adjustment of the processing parameters. Zirconia/alumina supports synthesized using hydro-dynamic cavitation and calcined to 1368 K retained a high purity cubic zirconia phase, whereas classically prepared samples showed a phase transformation to monoclinic zirconia. Similarly, the synthesis of alumina resulted in materials with varying Bohmite and Bayerite contents as a function of the process parameters. High temperature calcination resulted in stable alumina supports with varying amounts of delta-, and theta-alumina. Synthesis studies of palladium and silver showed modest variations in crystallite size as a function of cavitation process parameters. Calcination resulted in larger grain materials, indicating a disappearance of intergrain boundaries. Based on these results, a new synthesis method was studied involving controlled agglomeration of small silver crystallites by hydrodynamic cavitation processing, followed by deposition on alumina. The optimal pH, concentration, and processing time for controlling the silver crystallite size in the cavitation equipment were determined using a statistical design of experiments approach. Three series of alumina supported silver catalysts were prepared, with silver weight loadings of 1%, 2%, and 5%. Variation of cavitation processing time between 1--64 min allowed the systematic control of silver crystallite size in the range of 3--19 nm. The preferred oxidation of CO in hydrogen (PROX) was chosen as a catalytic test reaction, because of its increasing importance for fuel cell applications. It was found that the catalytic activity was significantly increased for silver crystallite sizes below 5 nm. This work is the first experimental evidence of independent crystallite size control by hydrodynamic cavitation for alumina supported silver catalysts. The synthesis method involving controlled agglomeration and calcination is a general synthesis procedure that can be used to synthesize a wide range of novel catalysts and advanced materials.

Thermochromic VO2 on Zinnwaldite Mica by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Mathevula, L.; Ngom, B. D.; Kotsedi, L.; Sechogela, P.; Doyle, T. B.; Ghouti, M.; Maaza, M.

2014-09-01

VO2 thin films have been deposited by pulsed laser deposition on Zinnwaldite Mica substrates. The crystal structure, chemical composition, morphology were determined and the semiconductor/metal transition (SMT) properties of the deposited films were investigated. Without any post annealing, the films exhibit a textured nature with a VO2 (0 1 1) preferred crystallographic orientation and an elevated thermal variation of the electric resistance ratio RS/RM through the SMT at T ≈ 68 °C of the order of 104 and a narrow ∼7 °C hysteresis. In addition, the growth of the VO2 crystallites seem to be governed likely by a Volmer-Weber or Stranski-Krastanov mechanisms and certainly not a Frank-van Der Merwe process.

About normal distribution on SO(3) group in texture analysis

NASA Astrophysics Data System (ADS)

Savyolova, T. I.; Filatov, S. V.

2017-12-01

This article studies and compares different normal distributions (NDs) on SO(3) group, which are used in texture analysis. Those NDs are: Fisher normal distribution (FND), Bunge normal distribution (BND), central normal distribution (CND) and wrapped normal distribution (WND). All of the previously mentioned NDs are central functions on SO(3) group. CND is a subcase for normal CLT-motivated distributions on SO(3) (CLT here is Parthasarathy’s central limit theorem). WND is motivated by CLT in R 3 and mapped to SO(3) group. A Monte Carlo method for modeling normally distributed values was studied for both CND and WND. All of the NDs mentioned above are used for modeling different components of crystallites orientation distribution function in texture analysis.

Transfer of molybdenum disulfide to various metals

NASA Technical Reports Server (NTRS)

Barton, G. C.; Pepper, S. V.

1977-01-01

Sliding friction experiments were conducted with molybdenum disulfide single crystals in contact with sputter cleaned surfaces of copper, nickel, gold, and 304 stainless steel. Transfer of the molybdenum disulfide to the metals was monitored with Auger electron spectroscopy. Results of the investigation indicate molybdenum disulfide transfers to all clean metal surfaces after a single pass over the metal surface with film thickness observed to increase with repeated passes over the same surfaces. Large particle transfer occurs when the orientation of the crystallites is other than basal. This is frequently accompanied by abrasion of the metal. Adhesion of molybdenum disulfide films occurred readily to copper and nickel, less readily to 304 stainless steel, and even less effectively to the gold, which indicates a chemical effect.

Double-quantum homonuclear rotary resonance: Efficient dipolar recovery in magic-angle spinning nuclear magnetic resonance

NASA Astrophysics Data System (ADS)

Nielsen, N. C.; Bildsøe, H.; Jakobsen, H. J.; Levitt, M. H.

1994-08-01

We describe an efficient method for the recovery of homonuclear dipole-dipole interactions in magic-angle spinning NMR. Double-quantum homonuclear rotary resonance (2Q-HORROR) is established by fulfilling the condition ωr=2ω1, where ωr is the sample rotation frequency and ω1 is the nutation frequency around an applied resonant radio frequency (rf) field. This resonance can be used for double-quantum filtering and measurement of homonuclear dipolar interactions in the presence of magic-angle spinning. The spin dynamics depend only weakly on crystallite orientation allowing good performance for powder samples. Chemical shift effects are suppressed to zeroth order. The method is demonstrated for singly and doubly 13C labeled L-alanine.

Crystallization in diblock copolymer thin films at different degrees of supercooling

NASA Astrophysics Data System (ADS)

Darko, C.; Botiz, I.; Reiter, G.; Breiby, D. W.; Andreasen, J. W.; Roth, S. V.; Smilgies, D.-M.; Metwalli, E.; Papadakis, C. M.

2009-04-01

The crystalline structures in thin films of polystyrene- b -poly(ethylene oxide) (PS- b -PEO) diblock copolymers were studied in dependence on the degree of supercooling. Atomic force microscopy showed that the crystalline domains (lamellae) consist of grains, which are macroscopic at low and intermediate degrees of supercooling, but of submicrometer size for strong supercooling. Using grazing-incidence wide-angle x-ray scattering, we could determine the grain orientation distribution function which shows that the chain stems are perpendicular to the lamellae at low supercooling, but tilted at intermediate and strong supercooling. These results suggest that, at intermediate and strong supercooling, the crystalline PEO lamellae do not grow homogeneously, but by the formation of small crystallites at the growth front.

c-axis preferential orientation of hydroxyapatite accounts for the high wear resistance of the teeth of black carp (Mylopharyngodon piceus)

PubMed Central

Fu, Jimin; He, Chong; Xia, Biao; Li, Yan; Feng, Qiong; Yin, Qifang; Shi, Xinghua; Feng, Xue; Wang, Hongtao; Yao, Haimin

2016-01-01

Biological armors such as mollusk shells have long been recognized and studied for their values in inspiring novel designs of engineering materials with higher toughness and strength. However, no material is invincible and biological armors also have their rivals. In this paper, our attention is focused on the teeth of black carp (Mylopharyngodon piceus) which is a predator of shelled mollusks like snails and mussels. Nanoscratching test on the enameloid, the outermost layer of the teeth, indicates that the natural occlusal surface (OS) has much higher wear resistance compared to the other sections. Subsequent X-ray diffraction analysis reveals that the hydroxyapatite (HAp) crystallites in the vicinity of OS possess c-axis preferential orientation. The superior wear resistance of black carp teeth is attributed to the c-axis preferential orientation of HAp near the OS since the (001) surface of HAp crystal, which is perpendicular to the c-axis, exhibits much better wear resistance compared to the other surfaces as demonstrated by the molecular dynamics simulation. Our results not only shed light on the origin of the good wear resistance exhibited by the black carp teeth but are of great value to the design of engineering materials with better abrasion resistance. PMID:27001150

Effect of Temperature, Precursor Type and Dripping Time on the Crystallite Size of Nano ZnO Obtained by One-Pot Synthesis: 2 k Full Factorial Design Analysis.

PubMed

Machado, Morgana de Medeiros; Savi, Bruna Martinello; Perucchi, Mariana Borges; Benedetti, Alessandro; Oliveira, Luis Felipe Silva; Bernardin, Adriano Michael

2018-06-01

The aim of this work was to determine the effect of temperature, precursor and dripping time on the crystallite size of ZnO nanoparticles synthesized by controlled precipitation according a 2k full factorial design. ZnCl2, Zn(NO3)2 and NaOH were used as precursors. After synthesis, the nano crystalline powder was characterized by XRD (Cu Kα), UV-Vis, and HR-TEM. The nano ZnO particles presented a crystallite size between 210 and 260 Å (HR-TEM and XRD). The results show that the crystallite size depends on the type of precursor and temperature of synthesis, but not on the dripping time.

Thermal decomposition of wood: influence of wood components and cellulose crystallite size.

PubMed

Poletto, Matheus; Zattera, Ademir J; Forte, Maria M C; Santana, Ruth M C

2012-04-01

The influence of wood components and cellulose crystallinity on the thermal degradation behavior of different wood species has been investigated using thermogravimetry, chemical analysis and X-ray diffraction. Four wood samples, Pinus elliottii (PIE), Eucalyptus grandis (EUG), Mezilaurus itauba (ITA) and Dipteryx odorata (DIP) were used in this study. The results showed that higher extractives contents associated with lower crystallinity and lower cellulose crystallite size can accelerate the degradation process and reduce the wood thermal stability. On the other hand, the thermal decomposition of wood shifted to higher temperatures with increasing wood cellulose crystallinity and crystallite size. These results indicated that the cellulose crystallite size affects the thermal degradation temperature of wood species. Copyright © 2012. Published by Elsevier Ltd.

Chemical and morphological characterization of III-V strained layered heterostructures

NASA Astrophysics Data System (ADS)

Gray, Allen Lindsay

This dissertation describes investigations into the chemical and morphological characterization of III-V strained layered heterostructures by high-resolution x-ray diffraction. The purpose of this work is two-fold. The first was to use high-resolution x-ray diffraction coupled with transmission electron microscopy to characterize structurally a quaternary AlGaAsSb/InGaAsSb multiple quantum well heterostructure laser device. A method for uniquely determining the chemical composition of the strain quaternary quantum well, information previously thought to be unattainable using high resolution x-ray diffraction is thoroughly described. The misconception that high-resolution x-ray diffraction can separately find the well and barrier thickness of a multi-quantum well from the pendellosung fringe spacing is corrected, and thus the need for transmission electron microscopy is motivated. Computer simulations show that the key in finding the well composition is the intensity of the -3rd order satellite peaks in the diffraction pattern. The second part of this work addresses the evolution of strain relief in metastable multi-period InGaAs/GaAs multi-layered structures by high-resolution x-ray reciprocal space maps. Results are accompanied by transmission electron and differential contrast microscopy. The evolution of strain relief is tracked from a coherent "pseudomorphic" growth to a dislocated state as a function of period number by examining the x-ray diffuse scatter emanating from the average composition (zeroth-order) of the multi-layer. Relaxation is determined from the relative positions of the substrate with respect to the zeroth-order peak. For the low period number, the diffuse scatter from the multi-layer structure region arises from periodic, coherent crystallites. For the intermediate period number, the displacement fields around the multi-layer structure region transition to random coherent crystallites. At the higher period number, displacement fields of overlapping dislocations from relaxation of the random crystallites cause the initial stages of relaxation of the multi-layer structure. At the highest period number studied, relaxation of the multi-layer structure becomes bi-modal characterized by overlapping dislocations caused by mosaic block relaxation and periodically spaced misfit dislocations formed by 60°-type dislocations. The relaxation of the multi-layer structure has an exponential dependence on the diffuse scatter length-scale, which is shown to be a sensitive measure of the onset of relaxation.

Geometric Modeling of Inclusions as Ellipsoids

NASA Technical Reports Server (NTRS)

Bonacuse, Peter J.

2008-01-01

Nonmetallic inclusions in gas turbine disk alloys can have a significant detrimental impact on fatigue life. Because large inclusions that lead to anomalously low lives occur infrequently, probabilistic approaches can be utilized to avoid the excessively conservative assumption of lifing to a large inclusion in a high stress location. A prerequisite to modeling the impact of inclusions on the fatigue life distribution is a characterization of the inclusion occurrence rate and size distribution. To help facilitate this process, a geometric simulation of the inclusions was devised. To make the simulation problem tractable, the irregularly sized and shaped inclusions were modeled as arbitrarily oriented, three independent dimensioned, ellipsoids. Random orientation of the ellipsoid is accomplished through a series of three orthogonal rotations of axes. In this report, a set of mathematical models for the following parameters are described: the intercepted area of a randomly sectioned ellipsoid, the dimensions and orientation of the intercepted ellipse, the area of a randomly oriented sectioned ellipse, the depth and width of a randomly oriented sectioned ellipse, and the projected area of a randomly oriented ellipsoid. These parameters are necessary to determine an inclusion s potential to develop a propagating fatigue crack. Without these mathematical models, computationally expensive search algorithms would be required to compute these parameters.

Role of SiO2 coating in multiferroic CoCr2O4 nanoparticles

NASA Astrophysics Data System (ADS)

Kamran, M.; Ullah, Asmat; Mehmood, Y.; Nadeem, K.; Krenn, H.

2017-02-01

Effect of silica (SiO2) coating concentration on structural and magnetic properties of multiferroic cobalt chromite (CoCr2O4) nanoparticles have been studied. The nanoparticles with average crystallite size in the range 19 to 28 nm were synthesised by sol-gel method. X-ray diffraction (XRD) analysis has verified the composition of single-phase cubic normal spinel structure of CoCr2O4 nanoparticles. The average crystallite size and cell parameter decreased with increasing SiO2 concentration. TEM image revealed that the shape of nanoparticles was non-spherical. Zero field cooled/field cooled (ZFC/FC) curves revealed that nanoparticles underwent a transition from paramagnetic (PM) state to collinear short-range ferrimagnetic (FiM) state, and this PM-FiM transition temperature decreased from 101 to 95 K with increasing SiO2 concentration or decreasing crystallite size. A conical spin state at Ts = 27 K was also observed for all the samples which decreased with decreasing average crystallite size. Low temperature lock-in transition was also observed in these nanoparticles at 12 K for uncoated nanoparticles which slightly shifted towards low temperature with decreasing average crystallite size. Saturation magnetization (Ms) showed decreasing trend with increasing SiO2 concentration, which was due to decrease in average crystallite size of nanoparticles and enhanced surface disorder in smaller nanoparticles. The temperature dependent AC-susceptibility also showed the decrease in the transition temperature (Tc), broadening of the Tc peak and decrease in magnetization with increasing SiO2 concentration or decreasing average crystallite size. In summary, the concentration of SiO2 has significantly affected the structural and magnetic properties of CoCr2O4 nanoparticles.

Optical properties of extended-chain polymers under stress

NASA Astrophysics Data System (ADS)

Ramirez, Rafael G.; Eby, R. K.

1995-09-01

Birefringence and x-ray diffraction experiments have been carried out on Kevlar 49(superscript R) fibers under tensile stress to monitor structure changes under the stress field. The origin of the observed birefringence is discussed in some detail. Results from theoretical calculations using semi-empirical molecular orbital techniques are presented and contrasted to the experimental observations. The calculations involved the estimation of chain polarizability and were performed under simulated stress conditions using the AM1 Hamiltonian in MOPAC. Polarizability is then used to calculate the birefringence as a function of tensile stress, by using existing internal field theory. This theoretical approach is applied to predict the optical properties of highly oriented extended-chain polyethylene, as well as those for poly(p' phenylene therephtalamide); the latter being the base polymer in Kevlar fibers. Results reveal reasonable birefringence predictions when compared to available experimental results in the literature. Also, it is found that the contribution from orienting crystallites under the stress field, to the measured birefringence in Kevlar fibers, is only a small fraction of the total. However, the calculations predict a significant contribution from deformation (extension) at the molecular level.

Direct Synthesis of Anatase Films with ~100% (001) Facets and [001] Preferred Orientation.

PubMed

Ichimura, Andrew S; Mack, Brianne; Usmani, Shirin M; Mars, Diana

2012-06-26

Anatase films exhibiting ~100% (001) reactive facets at the surface were grown hydrothermally on gold substrate from a homogeneous solution of TiF(4) and NaF. In addition to NaF, it was found that TiO(2) films with very similar properties could be prepared with the fluoride salts LiF, CsF, HF, NH(4)F, and N(CH(2)CH(3))(4)F. The polycrystalline anatase films are continuous, approximately 1 μm thick, and evenly coat the substrate. The surface grain size is ~400 nm. Grazing angle XRD measurements show that the films exhibit a high degree of preferred orientation with the c-axis normal to the substrate surface. SEM images reveal that the grains span the thickness of the films. Annealing the films at 500 °C removes fluorine and causes crystallites within the grains to restructure as shown by SEM, XRD, and Raman spectroscopy. Supported anatase films grown from this one-pot method may serve as oxidative photocatalysts and electrodes for photoelectrochemical applications such as solar cells and hydrogen evolution.

Near-infrared emission from mesoporous crystalline germanium

NASA Astrophysics Data System (ADS)

Boucherif, Abderraouf; Korinek, Andreas; Aimez, Vincent; Arès, Richard

2014-10-01

Mesoporous crystalline germanium was fabricated by bipolar electrochemical etching of Ge wafer in HF-based electrolyte. It yields uniform mesoporous germanium layers composed of high density of crystallites with an average size 5-7 nm. Subsequent extended chemical etching allows tuning of crystallites size while preserving the same chemical composition. This highly controllable nanostructure exhibits photoluminescence emission above the bulk Ge bandgap, in the near-infrared range (1095-1360nm) with strong evidence of quantum confinement within the crystallites.

Carbon nanoscroll-silk crystallite hybrid structures with controllable hydration and mechanical properties.

PubMed

Cheng, Yuan; Koh, Leng-Duei; Wang, Fan; Li, Dechang; Ji, Baohua; Yeo, Jingjie; Guan, Guijian; Han, Ming-Yong; Zhang, Yong-Wei

2017-07-06

Hybrid structures of nanomaterials (e.g. tubes, scrolls, threads, cages) and biomaterials (e.g. proteins) hold tremendous potential for applications as drug carriers, biosensors, tissue scaffolds, cancer therapeutic agents, etc. However, in many cases, the interacting forces at the nano-bio interfaces and their roles in controlling the structures and dynamics of nano-bio-hybrid systems are very complicated but poorly understood. In this study, we investigate the structure and mechanical behavior of a protein-based hybrid structure, i.e., a carbon nanoscroll (CNS)-silk crystallite with a hydration level controllable by an interlayer interaction in CNS. Our findings demonstrate that CNS with a reduced core size not only shields the crystallite from a weakening effect of water, but also markedly strengthens the crystallite. Besides water shielding, the enhanced strength arises from an enhanced interaction between the crystallite and CNS due to the enhanced interlayer interaction in CNS. In addition, the interfacial strength for pulling the crystallite out of the CNS-silk structure is found to be dependent on both the interlayer interaction energy in CNS as well as the sequence of protein at the CNS-silk interface. The present study is of significant value in designing drugs or protein delivery vehicles for biomedical applications, and serves as a general guide in designing novel devices based on rolled-up configurations of two-dimensional (2D) materials.

The Scherrer equation and the dynamical theory of X-ray diffraction.

PubMed

Muniz, Francisco Tiago Leitão; Miranda, Marcus Aurélio Ribeiro; Morilla Dos Santos, Cássio; Sasaki, José Marcos

2016-05-01

The Scherrer equation is a widely used tool to determine the crystallite size of polycrystalline samples. However, it is not clear if one can apply it to large crystallite sizes because its derivation is based on the kinematical theory of X-ray diffraction. For large and perfect crystals, it is more appropriate to use the dynamical theory of X-ray diffraction. Because of the appearance of polycrystalline materials with a high degree of crystalline perfection and large sizes, it is the authors' belief that it is important to establish the crystallite size limit for which the Scherrer equation can be applied. In this work, the diffraction peak profiles are calculated using the dynamical theory of X-ray diffraction for several Bragg reflections and crystallite sizes for Si, LaB6 and CeO2. The full width at half-maximum is then extracted and the crystallite size is computed using the Scherrer equation. It is shown that for crystals with linear absorption coefficients below 2117.3 cm(-1) the Scherrer equation is valid for crystallites with sizes up to 600 nm. It is also shown that as the size increases only the peaks at higher 2θ angles give good results, and if one uses peaks with 2θ > 60° the limit for use of the Scherrer equation would go up to 1 µm.

Transmission Electron Microscopy of Bombyx Mori Silk Fibers

NASA Astrophysics Data System (ADS)

Shen, Y.; Martin, D. C.

1997-03-01

The microstructure of B. Mori silk fibers before and after degumming was examined by TEM, selected area electron diffraction (SAED), WAXS and low voltage SEM. SEM micrographs of the neat cocoon revealed a network of pairs of twisting filaments. After degumming, there were only individual filaments showing a surface texture consistent with an oriented fibrillar structure in the fiber interior. WAXS patterns confirmed the oriented beta-sheet crystal structure common to silkworm and spider silks. Low dose SAED results were fully consistent with the WAXS data, and revealed that the crystallographic texture did not vary significantly across the fiber diameter. TEM observations of microtomed fiber cross sections indicated a somewhat irregular shape, and also revealed a 0.5-2 micron sericin coating which was removed by the degumming process. TEM observations of the degummed silk fiber showed banded features with a characteristic spacing of nominally 600 nm along the fiber axis. These bands were oriented in a roughly parabolic or V-shape pointing along one axis within a given fiber. We hypothesize that this orientation is induced by the extrusion during the spinning process. Equatorial DF images revealed that axial and lateral sizes of the β-sheet crystallites in silk fibroin ranged from 20 to 170 nm and from 1 to 24 nm, respectively. Crazes developed in the degummed silk fiber parallel to the fiber direction. The formation of these crazes suggests that there are significant lateral interactions between fibrils in silk fibers.

Purely hopping conduction in c-axis oriented LiNbO3 thin films

NASA Astrophysics Data System (ADS)

Shandilya, Swati; Tomar, Monika; Sreenivas, K.; Gupta, Vinay

2009-05-01

Dielectric constant and ac conductivity of highly c-axis oriented LiNbO3 thin film grown by pulsed laser deposition were studied in a metal-insulator-metal configuration over a wide temperature (200 to 450 K) and frequency (100 Hz to 1 MHz) range. The preferred oriented Al (1%) doped ZnO film with electrical conductivity 1.1×103 Ω-1 cm-1 was deposited for dual purpose: (1) to serve as nucleating center for LiNbO3 crystallites along preferred c-axis growth direction, and (2) to act as a suitable bottom electrode for electrical studies. The room temperature dc conductivity (σdc) of LiNbO3 film was about 5.34×10-10 Ω-1 cm-1 with activation energy ˜0.3 eV, indicating extrinsic conduction. The ac conductivity σac was found to be much higher in comparison to σdc in the low temperature region (<300 K) and exhibits a power law behavior due to the hopping of charge carriers. In higher temperature region (>300 K), σac shows a weak frequency dependence, whereas dielectric constant exhibits a strong frequency dispersion. The dielectric dispersion data has been discussed in the light of theoretical models based on Debye type mixed conduction and purely hopping conduction. The dominant conduction in c-axis oriented LiNbO3 thin film is attributed to the purely hopping where both σdc and σac arise due to same mechanism.

X-ray combined analysis of fiber-textured and epitaxial Ba(Sr,Ti)O{sub 3} thin films deposited by radio frequency sputtering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Remiens, D.; Ponchel, F.; Legier, J. F.

2011-06-01

A complete study is given in this paper on the structural properties of Ba(Sr,Ti)O{sub 3} (BST) thin films which present various preferred orientations: (111) and (001) fiber and epitaxial textures. The films are deposited in situ at 800 deg. C by sputtering on Si/SiO{sub 2}/TiO{sub x}/Pt substrates and the orientation is controlled by monitoring the concentration of O{sub 2} in the reactive plasma or by prior deposition of a very thin TiO{sub x} buffer layer between BST films and substrates. The epitaxial films are obtained on (001)-alpha-Al{sub 2}O{sub 3} substrates covered with TiO{sub x} buffer layers. In order to analyzemore » finely the preferred orientations, the texture, the microstructural features, and the anisotropy-related quantities such as residual stresses in the films, the conventional Bragg-Brentano {theta} - 2{theta} x-ray diffraction diagrams is shown not to be sufficient. So, we systematically used x-ray combined analysis, a recently developed methodology which gives access to precise determination of the structure (cell parameters and space group) of the films, their orientation distributions (texture strengths and types) and mean crystallite sizes, their residual stresses. This fine structural analysis shows important modifications between the film qualities which induce differences in BST films electrical behavior, permittivity, loss tangent, and tunability.« less

Controlling morphology and crystallite size of Cu(In{sub 0.7}Ga{sub 0.3})Se{sub 2} nano-crystals synthesized using a heating-up method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hsu, Wei-Hsiang; Hsiang, Hsing-I, E-mail: hsingi@mail.ncku.edu.tw; Chia, Chih-Ta

2013-12-15

CuIn{sub 0.7}Ga{sub 0.3}Se{sub 2}(CIGS) nano-crystals were successfully synthesized via a heating-up process. The non-coordinating solvent (1-octadecene) and selenium/cations ratio effects on the crystalline phase and crystallite size of CIGS nano-crystallites were investigated. It was observed that the CIGS nano-crystallite morphology changed from sheet into spherical shape as the amount of 1-octadecene addition was increased. CIGS nano-crystals were obtained in 9–20 nm sizes as the selenium/cations ratio increased. These results suggest that the monomer reactivity in the solution can be adjusted by changing the solvent type and selenium/cations ratio, hence affecting the crystallite size and distribution. - Graphical abstract: CuIn{sub 0.7}Ga{submore » 0.3}Se{sub 2}(CIGS) nano-crystals were successfully synthesized via a heating-up process in this study. The super-saturation in the solution can be adjusted by changing the OLA/ODE ratio and selenium/cation ratio.« less

The crystallization of tough thermoplastic resins in the presence of carbon fibers

NASA Technical Reports Server (NTRS)

Theil, Michael H.

1988-01-01

The presence of carbon fibers increased the crystallization rates of both PEEK and PPS thermoplastic polymers. The effect was most pronounced at higher crystallization temperatures. Isothermal crystallization rates were analyzed by applying classical phenomenological nucleation theory. Unusually high values of the so-called Avrami exponent were found for neat PEEK. Isothermal crystallization of PEEK and PPS polymers produced crystalline samples having a wide variety of melting temperatures. The melting as observed by differential scanning calorimetry occurred as dual endotherms which were called primary (higher temperature) and secondary melting peaks. Each primary peak accounted for most of the crystallinity present. The secondary peaks represented the melting of crystallites formed later than those attributable to the primary endotherms. The presence of carbon fibers increased the thermal stability of both PEEK and PPS crystallites as manifested by higher temperatures for the primary melting peaks. This may be attributable to increased crystallite size, greater crystallite perfection, and/or favorable modification of the crystallite interface. Over the range studied, crystallization temperature strongly influenced the positions of the secondary peaks but not the primary peaks.

Features of bicrystal growth during the directional crystallization of metal melts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gubernatorov, V. V.; Sycheva, T. S., E-mail: sych@imp.uran.ru; Gundyrev, V. M.

2017-03-15

The factors responsible for the formation of different configurations of boundaries between adjacent crystallites during their growth from melt by Bridgman and Czochralski methods have been considered by an of example Fe–20 wt % Ga alloy and Ni bicrystals. It is found that the configuration of intercrystallite boundary is related to the features of crystallite growth, caused by the strained state of intercrystallite and interphase (crystal–melt) boundaries, the difference in the linear thermal expansion coefficients of the crystallite boundaries and bulk, and the shape (geometry) of the bicrystal cross section. It is suggested that the strained state of boundaries andmore » the formation of substructure in crystallites during directional crystallization from metal melt are significantly affected by their deformation under the melt weight.« less

Phosphorylation and Ionic Strength Alter the LRAP-HAP Interface in the N-terminus

PubMed Central

Lu, Jun-xia; Xu, Yimin Sharon; Shaw, Wendy J.

2013-01-01

The conditions present during enamel crystallite development change dramatically as a function of time, including the pH, protein concentration, surface type and ionic strength. In this work, we investigate the role that two of these changing conditions, pH and ionic strength, have in modulating the interaction of the amelogenin, LRAP, with hydroxyapatite (HAP). Using solid state NMR dipolar recoupling and chemical shift data, we investigate the structure, orientation and dynamics of three regions in the N-terminus of the protein, L15 to V19, V19 to L23 and K24 to S28. These regions are also near the only phosphorylated residue in the protein, pS16, therefore, changes in the LRAP-HAP interaction as a function of phosphorylation (LRAP(−P) vs. LRAP(+P)) were also investigated. All of the regions and conditions studied for the surface immobilized proteins showed restricted motion, with indications of slightly more mobility under all conditions for L15(+P) and K24(−P). The structure and orientation of the LRAP-HAP interaction in the N-terminus of the phosphorylated protein is very stable to changing solution conditions. From REDOR dipolar recoupling data, the structure and orientation in the region L15V19(−P) did not change significantly as a function of pH or ionic strength. The structure and orientation of the region V19L23(+P) were also stable to changes in pH, with the only significant change observed at high ionic strength, where the region becomes extended, suggesting this may be an important region in regulating mineral development. Chemical shift studies also suggest minimal changes in all three regions studied for both LRAP(−P) and LRAP(+P) as a function of pH or ionic strength and reveal that K24 has multiple resolvable resonance, suggestive of two coexisting structures. Phosphorylation also alters the LRAP-HAP interface. All of the three residues investigated (L15, V19, and K24) are closer to the surface in LRAP(+P), but K24S28 also changes structure as a result of phosphorylation, from a random coil to a largely helical structure, and V19L23 becomes more extended at high ionic strength when phosphorylated. These observations suggest that ionic strength and dephosphorylation may provide switching mechanisms to trigger a change in the function of the N-terminus. PMID:23477367

Magnetic anisotropy and order parameter in nanostructured CoPt particles

NASA Astrophysics Data System (ADS)

Komogortsev, S. V.; Iskhakov, R. S.; Zimin, A. A.; Filatov, E. Yu.; Korenev, S. V.; Shubin, Yu. V.; Chizhik, N. A.; Yurkin, G. Yu.; Eremin, E. V.

2013-10-01

The correlation of magnetic anisotropy energy with order parameter in the crystallites of CoPt nanostructured particles prepared by thermal decomposition and further annealing has been studied by investigation of the approach magnetization to saturation curves and x-ray powder diffraction pattern profiles. It is shown that magnetic anisotropy energy value in partially ordered CoPt crystallite could be described as an intermediate case between two extremes, corresponding to either single or several c-domains of L10 phase in crystallite.

Microstructure, hardness and modulus of carbon-ion-irradiated new SiC fiber (601-4)

NASA Astrophysics Data System (ADS)

Huang, Qing; Lei, Guanhong; Liu, Renduo; Li, Jianjian; Yan, Long; Li, Cheng; Liu, Weihua; Wang, Mouhua

2018-05-01

Two types of SiC fibers, one is low-oxygen and carbon-rich fiber denoted by 601-4 and the other is low-oxygen and near-stoichiometric Tyranno SA, were irradiated with 450 keV C+ ions at room temperature. The Raman spectra indicate that irradiation induced distortion and amorphization of SiC crystallites in fibers. TEM characterization of Tyranno SA suggests that SiC crystallites undergo a continued fragmentation into smaller crystalline islands and a continued increase of surrounding amorphous structure. The SiC nano-crystallites (<15 nm) in 601-4 fiber are more likely to be amorphized than larger crystallites (∼200 nm) in Tyranno SA. The hardness and modulus of 601-4 continuously decreases with increasing fluence, while that of Tyranno SA first increases and then decreases.

Application of back-propagation artificial neural network (ANN) to predict crystallite size and band gap energy of ZnO quantum dots

NASA Astrophysics Data System (ADS)

Pelicano, Christian Mark; Rapadas, Nick; Cagatan, Gerard; Magdaluyo, Eduardo

2017-12-01

Herein, the crystallite size and band gap energy of zinc oxide (ZnO) quantum dots were predicted using artificial neural network (ANN). Three input factors including reagent ratio, growth time, and growth temperature were examined with respect to crystallite size and band gap energy as response factors. The generated results from neural network model were then compared with the experimental results. Experimental crystallite size and band gap energy of ZnO quantum dots were measured from TEM images and absorbance spectra, respectively. The Levenberg-Marquardt (LM) algorithm was used as the learning algorithm for the ANN model. The performance of the ANN model was then assessed through mean square error (MSE) and regression values. Based on the results, the ANN modelling results are in good agreement with the experimental data.

Cadmium-sulfide crystallites in Cd-(. gamma. EC) sub n G peptide complexes from tomato. [Lycopersicon esculentum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reese, R.N.; White, C.A.; Winge, D.R.

Hydroponically grown tomato plants (Lycopersicon esculentum P. Mill cv Golden Boy) exposed to 100 micromolar cadmium sulfate produced metal-({gamma}EC){sub n}G peptide complexes containing acid-labile sulfur. The properties of the complexes resemble those of the cadmium-({gamma}EC){sub n}G peptide complexes from Schizo-saccharomyces pombe and Candida glabrata known to contain a cadmium sulfide crystallite core. The crystallite is stabilized by a sheath of peptides of general structure ({gamma}Glu-Cys){sub n}-Gly. The cadmium-peptide complexes of tomato contained predominantly peptides of n{sub 3}, n{sub 4}, and n{sub 5}. Spectroscopic analyses indicated that the tomato cadmium-sulfide-peptide complex contained CdS crystallite core particles smaller than 2.0 nanometers inmore » diameter.« less

Study of energy versus misorientation for grain boundaries in gold by crystallite rotation method. I. (001) twist boundaries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chan, S.W.; Balluffi, R.W.

1984-11-01

Small gold crystallites (approx. 50 to 80 nm dia) were welded to thin film (001) single crystal gold substrates at a series of predetermined (001) twist angles in the range 0 to 45/sup 0/. A pure (001) twist boundary therefore existed in each welded neck region which could be observed directly by transmission electron microscopy at normal incidence. Upon annealing, the crystallites rotated around (001) when the boundary energy varied with theta. The crystallites rotated into three misorientations corresponding to the special ..sigma..1 and ..sigma..5 misorientations and a symmetry related misorientation at theta=45/sup 0/. These results indicate the existence ofmore » grain boundary dislocation (GBD) related cusps on the boundary energy versus theta curve at ..sigma..1 and ..sigma..« less

Optical properties of La{sub 2}CuO{sub 4} and La{sub 2-x}Ca{sub x}CuO{sub 4} crystallites in UV-vis-NIR region synthesized by sol-gel process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li Yifeng; Huang Jianfeng, E-mail: hjfnpu@163.com; Cao Liyun

2012-02-15

La{sub 2}CuO{sub 4} and La{sub 2-x}Ca{sub x}CuO{sub 4} crystallites were prepared via a simple sol-gel process. The as-prepared La{sub 2}CuO{sub 4} and La{sub 2} {sub -x}Ca{sub x}CuO{sub 4} crystallites were characterized by X-ray diffraction, transmission electron microscope and UV-vis-NIR spectra. Results show that the grain size of La{sub 2}CuO{sub 4} crystallites increases with the increase of heat treatment temperature from 600 Degree-Sign C to 800 Degree-Sign C. Optical properties show that La{sub 2}CuO{sub 4} crystallites have broad absorption both in the UV-vis region and in the NIR region. The band gap of the as-prepared crystallites decreases from 1.367 eV tomore » 1.284 eV with the increase of calcination temperature from 600 Degree-Sign C to 800 Degree-Sign C. In the series of La{sub 2-x}Ca{sub x}CuO{sub 4} compounds (x = 0.05, 0.08, 0.10, 0.12, 0.15 and 0.20), all of the samples exhibit an orthogonal crystal structure and the solubility limit of Ca{sup 2+} in La{sub 2}CuO{sub 4} is within the range of x = 0.12-0.15. In the whole UV-vis-NIR region, La{sub 2-x}Ca{sub x}CuO{sub 4} crystallites exhibit a broad absorption and the corresponding band gap first increases and then decreases with increasing of Ca{sup 2+} content. - Highlights: Black-Right-Pointing-Pointer The optical band gap can be tuned by adjusting the grain size and Ca{sup 2+} content. Black-Right-Pointing-Pointer La{sub 2}CuO{sub 4} crystallites exhibit a broad absorption band both in the UV-vis region and in the NIR region. Black-Right-Pointing-Pointer The band gap increases from 1.284 eV to 1.319 eV with the decrease of heat treatment temperature. Black-Right-Pointing-Pointer In the whole UV-vis-NIR region, the La{sub 2-x}Ca{sub x}CuO{sub 4} crystallites displayed a broad absorption. Black-Right-Pointing-Pointer The band gap of La{sub 2-x}Ca{sub x}CuO{sub 4} increases linearly with doping level when 0 {<=} x {<=} 0.12.« less

Characterization of N-doped polycrystalline diamond films deposited on microgrinding tools

NASA Astrophysics Data System (ADS)

Jackson, M. J.; Ahmed, W.

2005-10-01

Chemical vapor deposited diamond films have many industrial applications but are assuming increasing importance in the area of microengineering, most notably in the development of diamond coated microgrinding tools. For these applications the control of structure and morphology is of critical importance. The crystallite size, orientation, surface roughness, and the degree of sp 3 character have a profound effect on the tribological properties of the films deposited. In this article, we present experimental results on the effects of nitrogen doping on the surface morphology, crystallite size, and wear of microgrinding tools. The sp 3 character optimizes at 200 ppm nitrogen, and above this value the surface becomes much smoother and crystal sizes decrease considerably. Fracture-induced wear of the diamond grain is the most important mechanism of material removal from a microgrinding tool during the grinding process. Fracture occurs as a consequence of tensile stresses induced into diamond grains by grinding forces to which they are subjected. The relationship between the wear of diamond coated grinding tools, component grinding forces, and induced stresses in the model diamond grains is described in detail. A significant correlation was found between the maximum value of tensile stress induced in the diamond grain and the appropriate wheel-wear parameter (grinding ratio). It was concluded that the magnitude of tensile stresses induced in the diamond grain by grinding forces at the rake face is the best indicator of tool wear during the grinding process.

Colloidal Covalent Organic Frameworks

PubMed Central

2017-01-01

Covalent organic frameworks (COFs) are two- or three-dimensional (2D or 3D) polymer networks with designed topology and chemical functionality, permanent porosity, and high surface areas. These features are potentially useful for a broad range of applications, including catalysis, optoelectronics, and energy storage devices. But current COF syntheses offer poor control over the material’s morphology and final form, generally providing insoluble and unprocessable microcrystalline powder aggregates. COF polymerizations are often performed under conditions in which the monomers are only partially soluble in the reaction solvent, and this heterogeneity has hindered understanding of their polymerization or crystallization processes. Here we report homogeneous polymerization conditions for boronate ester-linked, 2D COFs that inhibit crystallite precipitation, resulting in stable colloidal suspensions of 2D COF nanoparticles. The hexagonal, layered structures of the colloids are confirmed by small-angle and wide-angle X-ray scattering, and kinetic characterization provides insight into the growth process. The colloid size is modulated by solvent conditions, and the technique is demonstrated for four 2D boronate ester-linked COFs. The diameter of individual COF nanoparticles in solution is monitored and quantified during COF growth and stabilization at elevated temperature using in situ variable-temperature liquid cell transmission electron microscopy imaging, a new characterization technique that complements conventional bulk scattering techniques. Solution casting of the colloids yields a free-standing transparent COF film with retained crystallinity and porosity, as well as preferential crystallite orientation. Collectively this structural control provides new opportunities for understanding COF formation and designing morphologies for device applications. PMID:28149954

A Conceptual Model for Shear-Induced Phase Behavior in Crystallizing Cocoa Butter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mazzanti,G.; Guthrie, S.; Marangoni, A.

2007-01-01

We propose a conceptual model to explain the quantitative data from synchrotron X-ray diffraction experiments on the shear-induced phase behavior of cocoa butter, the main structural component of chocolate. We captured two-dimensional diffraction patterns from cocoa butter at crystallization temperatures of 17.5, 20.0, and 22.5 {sup o}C under shear rates from 45 to 1440 s{sup -1} and under static conditions. From the simultaneous analysis of the integrated intensity, correlation length, lamellar thickness, and crystalline orientation, we postulate a conceptual model to provide an explanation for the distribution of phases II, IV, V, and X and the kinetics of the process.more » As previously proposed in the literature, we assume that the crystallites grow layer upon layer of slightly different composition. The shear rate and temperature applied define these compositions. Simultaneously, the shear and temperature define the crystalline interface area available for secondary nucleation by promoting segregation and affecting the size distribution of the crystallites. The combination of these factors (composition, area, and size distribution) favors dramatically the early onset of phase V under shear and determines the proportions of phases II, IV, V, and X after the transition. The experimental observations, the methodology used, and the proposed explanation are of fundamental and industrial interest, since the structural properties of crystalline networks are determined by their microstructure and polymorphic crystalline state. Different proportions of the phases will thus result in different characteristics of the final material.« less

Surfaces and interfaces of glass and ceramics; Proceedings of the International Symposium on Special Topics in Ceramics, Alfred University, Alfred, N.Y., August 27-29, 1973

NASA Technical Reports Server (NTRS)

Frechette, V. D. (Editor); Lacourse, W. C.; Burdick, V. L.

1974-01-01

The characterization of surfaces and interfaces is considered along with the infrared spectra of several N-containing compounds absorbed on montmorillonites, applications of surface characterization techniques to glasses, the observation of electronic spectra in glass and ceramic surfaces, a method for determining the preferred orientation of crystallites normal to a surface, and the friction and wear behavior of glasses and ceramics. Attention is given to the wear behavior of cast surface composites, an experimental investigation of the dynamic and thermal characteristics of the ceramic stock removal process, a dynamic elastic model of ceramic stock removal, and the structure and properties of solid surfaces. Individual items are announced in this issue.

Friction and wear of single-crystal and polycrystalline maganese-zinc ferrite in contact with various metals

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1977-01-01

Sliding friction experiments were conducted with single-crystal (SCF) and hot-pressed polycrystalline (HPF) manganese-zinc ferrite in contact with various metals. Results indicate that the coefficients of friction for SCF and HPF are related to the relative chemical activity of those metals in high vacuum. The more active the metal, the higher the coefficient of friction. The coefficients of friction for both SCF and HPF were the same and much higher in vacuum than in argon at atmospheric pressure. All the metals tested transferred to the surface of both SCF and HPF in sliding. Both SCF and HPF exhibited cracking and fracture with sliding. Cracking in SCF is dependent on crystallographic characteristics. In HPF, cracking depends on the orientation of the individual crystallites.

Enamel microarchitecture of a tribosphenic molar.

PubMed

Spoutil, Frantisek; Vlcek, Vojtĕch; Horácek, Ivan

2010-10-01

The tribosphenic molar is a dental apomorphy of mammals and the molar type from which all derived types originated. Its enamel coat is expected to be ancestral: a thin, evenly distributed layer of radial prismatic enamel. In the bat Myotis myotis, we reinvestigated the 3D architecture of the dental enamel using serial sectioning combined with scanning electron microscopy analyses, biometrics of enamel prisms and crystallites, and X-ray diffraction. We found distinct heterotopies in enamel thickness (thick enamel on the convex sides of the crests, thin on the concave ones), angularity of enamel prisms, and in distribution of particular enamel types (prismatic, interprismatic, aprismatic) and demonstrated structural relations of these heterotopies to the cusp and crest organization of the tribosphenic molar. X-ray diffraction demonstrated that the crystallites composing the enamel are actually the aggregates of much smaller primary crystallites. The differences among particular enamel types in degree of crystallite aggregation and the variation in structural microstrain of the primary crystallites (depending upon the duration and the mechanical context of mineralization) represent factors not fully understood as yet that may contribute to the complexity of enamel microarchitecture in a significant way. © 2010 Wiley-Liss, Inc.

Microstructural Evolution of Nanocrystalline ZrO2 in a Fe Matrix During High-Temperature Exposure

NASA Astrophysics Data System (ADS)

Raghavendra, K. G.; Dasgupta, Arup; Athreya, C. N.; Jayasankar, K.; Saroja, S.; Subramanya Sarma, V.

2018-06-01

The current study examines the evolution of nanocrystallites of ZrO2 with time and temperature in a Fe-ZrO2 composite. The crystallite sizes were determined through X-ray peak broadening analysis by the Williamson-Hall method together with dark field transmission electron microscopy. The ZrO2 crystallites were found to be stable and retained their sizes at 973 K and 1073 K for hold durations up to 600 minutes. On the other hand, the crystallites were seen to grow at 1173 K and reached up to 200 nm for a hold time of 600 minutes. The Ostwald ripening model was adopted to understand crystallite growth while a dislocation-driven pipe diffusion was adopted for understanding the kinetics of grain growth. The activation energy of grain growth was calculated as 379 kJ mol-1. The modeled and experimentally calculated size evolutions with time and temperature were shown to be in good agreement with each other. A detailed discussion on the kinetics and activation energy of grain growth of ZrO2 crystallites in a Fe matrix is presented in this manuscript.

Synthesis of Copper Birnessite, Cu xMnO y·nH 2O with Crystallite Size Control: Impact of Crystallite Size on Electrochemistry

DOE PAGES

Li, Yue Ru; Marschilok, Amy C.; Takeuchi, Esther S.; ...

2015-11-24

This report describes the first detailed electrochemical examination of a series of copper birnessite samples under lithium-based battery conditions, allowing a structure/function analysis of the electrochemistry and related material properties. To obtain the series of copper birnessite samples, a novel synthetic approach for the preparation of copper birnessite, Cu xMnO y·nH 2O is reported. The copper content (x) in Cu xMnO y·nH 2O, 0.28 >= x >= 0.20, was inversely proportional to crystallite size, which ranged from 12 to 19 nm. The electrochemistry under lithium-based battery conditions showed that the higher copper content (x = 0.28) and small crystallite sizemore » (similar to 12 nm) sample delivered similar to 194 mAh/g, about 20% higher capacity than the low copper content (x = 0.22) and larger crystallite size (similar to 19 nm) material. In addition, Cu xMnO y·nH 2O displays quasi-reversible electrochemistry in magnesium based electrolytes, indicating that copper birnessite could be a candidate for future application in magnesium-ion batteries.« less

Further Improvement of the RITS Code for Pulsed Neutron Bragg-edge Transmission Imaging

NASA Astrophysics Data System (ADS)

Sato, H.; Watanabe, K.; Kiyokawa, K.; Kiyanagi, R.; Hara, K. Y.; Kamiyama, T.; Furusaka, M.; Shinohara, T.; Kiyanagi, Y.

The RITS code is a unique and powerful tool for a whole Bragg-edge transmission spectrum fitting analysis. However, it has had two major problems. Therefore, we have proposed methods to overcome these problems. The first issue is the difference in the crystallite size values between the diffraction and the Bragg-edge analyses. We found the reason was a different definition of the crystal structure factor. It affects the crystallite size because the crystallite size is deduced from the primary extinction effect which depends on the crystal structure factor. As a result of algorithm change, crystallite sizes obtained by RITS drastically approached to crystallite sizes obtained by Rietveld analyses of diffraction data; from 155% to 110%. The second issue is correction of the effect of background neutrons scattered from a specimen. Through neutron transport simulation studies, we found that the background components consist of forward Bragg scattering, double backward Bragg scattering, and thermal diffuse scattering. RITS with the background correction function which was developed through the simulation studies could well reconstruct various simulated and experimental transmission spectra, but refined crystalline microstructural parameters were often distorted. Finally, it was recommended to reduce the background by improving experimental conditions.

X-ray diffraction study of A- plane non-polar InN epilayer grown by MOCVD

NASA Astrophysics Data System (ADS)

Moret, Matthieu; Briot, Olivier; Gil, Bernard

2015-03-01

Strong polarisation-induced electric fields in C-plane oriented nitrides semiconductor layers reduce the performance of devices. Eliminating the polarization fields can be achieved by growing nitrides along non polar direction. We have grown non polar A-plane oriented InN on R-plane (1‾102) nitridated sapphire substrate by MOCVD. We have studied the structural anisotropy observed in these layers by analyzing High Resolution XRay Diffraction rocking curve (RC) experiments as a function of the in-plane beam orientation. A-plane InN epilayer have a unique epitaxial relationship on R-Plane sapphire and show a strong structural anisotropy. Full width at half maximum (FWHM) of the InN(11‾20) XRD RC values are contained between 44 and 81 Arcmin. FWHM is smaller when the diffraction occurs along the [0001] and the largest FWHM values, of the (11‾20) RC, are obtained when the diffraction occurs along the [1‾100] in-plane direction. Atomic Force Microscopy imaging revealed morphologies with well organized crystallites. The grains are structured along a unique crystallographic orientation of InN, leading to larger domains in this direction. This structural anisotropy can be, in first approximation, attributed to the difference in the domain sizes observed. XRD reciprocal space mappings (RSM) were performed in asymmetrical configuration on (13‾40) and (2‾202) diffraction plane. RSM are measured with a beam orientation corresponding to a maximal and a minimal width of the (11‾20) Rocking curves, respectively. A simple theoretical model is exposed to interpret the RSM. We concluded that the dominant contribution to the anisotropy is due to the scattering coherence length anisotropy present in our samples.

Irradiation of zinc single crystal with 500 keV singly-charged carbon ions: surface morphology, structure, hardness, and chemical modifications

NASA Astrophysics Data System (ADS)

Waqas Khaliq, M.; Butt, M. Z.; Saleem, Murtaza

2017-07-01

Cylindrical specimens of (1 0 4) oriented zinc single crystal (diameter  =  6 mm and length  =  5 mm) were irradiated with 500 keV C+1 ions with the help of a Pelletron accelerator. Six specimens were irradiated in an ultra-high vacuum (~10‒8 Torr) with different ion doses, namely 3.94  ×  1014, 3.24  ×  1015, 5.33  ×  1015, 7.52  ×  1015, 1.06  ×  1016, and 1.30  ×  1016 ions cm-2. A field emission scanning electron microscope (FESEM) was utilized for the morphological study of the irradiated specimens. Formation of nano- and sub-micron size rods, clusters, flower- and fork-like structures, etc, was observed. Surface roughness of the irradiated specimens showed an increasing trend with the ions dose. Energy dispersive x-ray spectroscopy (EDX) helped to determine chemical modifications in the specimens. It was found that carbon content varied in the range 22.86-31.20 wt.% and that oxygen content was almost constant, with an average value of 10.16 wt.%. The balance content was zinc. Structural parameters, i.e. crystallite size and lattice strain, were determined by Williamson-Hall analysis using x-ray diffraction (XRD) patterns of the irradiated specimens. Both crystallite size and lattice strain showed a decreasing trend with the increasing ions dose. A good linear relationship between crystallite size and lattice strain was observed. Surface hardness depicted a decreasing trend with the ions dose and followed an inverse Hall-Petch relation. FTIR spectra of the specimens revealed that absorption bands gradually diminish as the dose of singly-charged carbon ions is increased from 3.94  ×  1014 ions cm-1 to 1.30  ×  1016 ions cm-1. This indicates progressive deterioration of chemical bonds with the increase in ion dose.

Snow Crystal Orientation Effects on the Scattering of Passive Microwave Radiation

NASA Technical Reports Server (NTRS)

Foster, J. L.; Barton, J. S.; Chang, A. T. C.; Hall, D. K.

1999-01-01

For this study, consideration is given to the role crystal orientation plays in scattering and absorbing microwave radiation. A discrete dipole scattering model is used to measure the passive microwave radiation, at two polarizations (horizontal and vertical), scattered by snow crystals oriented in random and non random positions, having various sizes (ranging between 1 micrometers to 10,000 micrometers in radius), and shapes (including spheroids, cylinders, hexagons). The model results demonstrate that for the crystal sizes typically found in a snowpack, crystal orientation is insignificant compared to crystal size in terms of scattering microwave energy in the 8,100 gm (37 GHz) region of the spectrum. Therefore, the assumption used in radiative transfer approaches, where snow crystals are modeled as randomly oriented spheres, is adequate to account for the transfer of microwave energy emanating from the ground and passing through a snowpack.

The effect of confinement on the crystalline microstructure of polymer: fullerene bulk heterojunctions

DOE PAGES

Ashraf, A.; Dissanayake, D. M. N. M.; Eisaman, M. D.

2015-07-01

We investigate the effect of confinement on the coherence length and the crystalline microstructure of the polymer component of polymer: fullerene bulk heterojunction thin films using grazing incidence wide angle x-ray scattering. We find that the polymer crystallite size decreases and the alignment of the molecules along the surface normal increases, as the thin-film thickness is reduced from 920nm to < 20nm and approaches the thin-film confinement regime. Furthermore, we find that the polymer crystallite size near the surface (air interface) is lower than the crystallite size in the bulk or the bottom (substrate interface) of bulk heterojunction films thickermore » than the confinement regime. Variation in polymer crystallite size can cause changes in charge carrier mobility and recombination rates, which in turn affect the performance of bulk heterojunction thin film devices such as photovoltaics and photodetectors« less

A study of inter-crystallite spaces in some polycrystalline inorganic systems using positron annihilation lifetime spectroscopy

NASA Astrophysics Data System (ADS)

Shantarovich, V. P.; Suzuki, T.; Ito, Y.; Kondo, K.; Gustov, V. W.; Melikhov, I. V.; Berdonosov, S. S.; Ivanov, L. N.; Yu, R. S.

2007-02-01

Positron annihilation lifetime spectroscopy (PALS) was used for calculation of number density and effective sizes of free volume holes (inter-crystallite spaces) in polycrystal CaSO 4, CaCO 3 (vaterit) and Ca 10(PO 4) 6(OH) 2 (apatite). The effect of substitution of two-valence Ca(II) for three-valence Eu(III) on annihilation characteristics of apatite, studied together with the data on thermo-stimulated luminescence (TSL) and low-temperature sorption of gas (N 2), helped to elucidate mechanism of positronium atom (Ps) localization in the free volume holes and perform corresponding calculations. It came out that PALS is more sensitive to inter-crystallite sites (10 16 cm -3) in polycrystallites than to the free volume holes in polymer glasses (10 19 cm -3). This is due to higher mobility of the precursor of localized Ps in crystallites.

MD simulation of plastic deformation nucleation in stressed crystallites under irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Korchuganov, A. V., E-mail: avkor@ispms.tsc.ru; Zolnikov, K. P., E-mail: kost@ispms.tsc.ru; Kryzhevich, D. S., E-mail: kryzhev@ispms.tsc.ru

2016-12-15

The investigation of plastic deformation nucleation in metals and alloys under irradiation and mechanical loading is one of the topical issues of materials science. Specific features of nucleation and evolution of the defect system in stressed and irradiated iron, vanadium, and copper crystallites were studied by molecular dynamics simulation. Mechanical loading was performed in such a way that the modeled crystallite volume remained unchanged. The energy of the primary knock-on atom initiating a cascade of atomic displacements in a stressed crystallite was varied from 0.05 to 50 keV. It was found that atomic displacement cascades might cause global structural transformationsmore » in a region far larger than the radiation-damaged area. These changes are similar to the ones occurring in the process of mechanical loading of samples. They are implemented by twinning (in iron and vanadium) or through the formation of partial dislocation loops (in copper).« less

Synthetic control of manganese birnessite: Impact of crystallite size on Li, Na, and Mg based electrochemistry

DOE PAGES

Yin, Jiefu; Takeuchi, Esther S.; Takeuchi, Kenneth J.; ...

2016-08-12

We demonstrated the synthesis and characterization of Mg-birnessite (Mg xMnO 2) with different crystallite sizes, prepared though low temperature precipitation and ion exchange. The influence of crystallite size on electrochemical performance of Mg-birnessite was studied for the first time, where material with smaller crystallite size was demonstrated to have enhanced capacity and rate capability in Li ion, Na ion, and Mg ion based electrolytes. Cation diffusion using GITT type testing demonstrated the ion diffusion coefficient of Mg 2+ was ~10× lower compared with Li + and Na +. This work illustrates that tuning of inorganic materials properties can lead tomore » significant enhancement of electrochemical performance in lithium, sodium as well as magnesium based batteries for materials such as Mg-birnessite and provides a deliberate approach to improve electrochemical performance.« less

Correlations between 1/f noise and thermal treatment of Al-doped ZnO thin films deposited by direct current sputtering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barhoumi, A., E-mail: amira-barhoumi@yahoo.fr; Guermazi, S.; Leroy, G.

2014-05-28

Al-doped ZnO thin films (AZO) have been deposited on amorphous glass substrates by DC sputtering at different substrate temperatures T{sub s}. X-Ray diffraction results reveal that AZO thin films have a hexagonal wurtzite structure with (002) preferred orientation. (002) peaks indicate that the crystalline structure of the films is oriented with c-axis perpendicular to the substrate. Three-dimensional (3D) atomic force microscopy images of AZO thin films deposited on glass substrate at 200 °C, 300 °C, and 400 °C, respectively, shows the improvement of the crystallinity and the homogeneity of AZO thin films with T{sub s} which is in agreement with the noise measurements.more » The noise was characterized between 1 Hz and 100 kHz and we have obtained 1/f spectra. The noise is very sensitive to the crystal structure especially to the orientation of the crystallites which is perpendicular to the substrate and to the grain boundaries which generate a high current flow and a sharp increase in noise. Through time, R{sub sh} and [αμ]{sub eff} increase with the modification of the crystallinity of AZO thin films. Study of noise aging shows that the noise is more sensitive than resistivity for all AZO thin films.« less

Structure of CdTe nanoparticles in glass

NASA Astrophysics Data System (ADS)

Hayes, T. M.; Nagpal, Swati; Persans, P. D.

2000-03-01

Optical long-pass wavelength filters are generally made by growing small crystallites of appropriate semiconductors in a transparent glass matrix. Depending on the semiconductor, these systems are candidates for interesting and important nonlinear optical switching applications. The structure of these nanocrystals has been shown to be a valuable indicator of the chemical and thermodynamic processes during crystallite growth and dissolution. We have used x-ray absorption spectroscopy to study the structure of the crystallites produced during heat treatment of filter glasses containing Cd and Te and producing optical absorption edges at the band gap of bulk CdTe. The results will be discussed.

A bioactive coating with submicron-sized titania crystallites fabricated by induction heating of titanium after tensile deformations.

PubMed

Li, Ning-Bo; Xu, Wen-Hua; Xiao, Gui-Yong; Zhao, Jun-Han; Lu, Yu-Peng

2017-11-01

Thermal oxidation technology was widely investigated as one of effective surface modification method for improving the bioactivity and biocompatibility of titanium and its alloys. In this work, the induction heat oxidization method, a fast, efficient, economical and environmental protective technology, was applied to prepare the submicron-morphological oxide coating with variable rutile TiO 2 equiaxed crystallites on the surface of pure Ti substrates after cold-drawing with 10-20% deformations. The results showed the plastic-deformed Ti cylinders recrystallized during induction heating treatment (IHT) for 10-20s which resulted in evolution of microstructures as well as slight improvement of microhardness. The surface characteristics of TiO 2 crystallites in oxidation layers were determined by the microstructural evolutions of Ti substrate in terms of the nucleation and growth of TiO 2 crystallites. Specially, the oxidized surface with 50-75nm roughness and more uniform and finer equiaxed oxide grains remarkablely improved the apatite deposition after bioactive evaluation in 1.5 × SBF for 7 days. This work provided a potential method to create controlled bioactive oxide coatings with submicro-/nano-scaled TiO 2 crystallites on titanium substrate in terms of the role of metallographic microstructure in the formation process of titanium oxides. Copyright © 2017 Elsevier Ltd. All rights reserved.

Size-controlled synthesis of nanocrystalline CdSe thin films by inert gas condensation

NASA Astrophysics Data System (ADS)

Sharma, Jeewan; Singh, Randhir; Kumar, Akshay; Singh, Tejbir; Agrawal, Paras; Thakur, Anup

2018-02-01

Size, shape and structure are considered to have significant influence on various properties of semiconducting nanomaterials. Different properties of these materials can be tailored by controlling the size. Size-controlled CdSe crystallites ranging from ˜ 04 to 95 nm were deposited by inert gas-condensation technique (IGC). In IGC method, by controlling the inert gas pressure in the condensation chamber and the substrate temperature or both, it was possible to produce nanoparticles with desired size. Structure and crystallite size of CdSe thin films were determined from Hall-Williamson method using X-ray diffraction data. The composition of CdSe samples was estimated by X-ray microanalysis. It was confirmed that CdSe thin film with different nanometer range crystallite sizes were synthesized with this technique, depending upon the synthesis conditions. The phase of deposited CdSe thin films also depend upon deposition conditions and cubic to hexagonal phase transition was observed with increase in substrate temperature. The effect of crystallite size on optical and electrical properties of these films was also studied. The crystallite size affects the optical band gap, electrical conductivity and mobility activation of nanocrystalline CdSe thin films. Mobility activation study suggested that there is a quasi-continuous linear distribution of three different trap levels below the conduction band.

Devolatilization Characteristics and Kinetic Analysis of Lump Coal from China COREX3000 Under High Temperature

NASA Astrophysics Data System (ADS)

Xu, Runsheng; Zhang, Jianliang; Wang, Guangwei; Zuo, Haibin; Liu, Zhengjian; Jiao, Kexin; Liu, Yanxiang; Li, Kejiang

2016-08-01

A devolatilization study of two lump coals used in China COREX3000 was carried out in a self-developed thermo-gravimetry at four temperature conditions [1173 K, 1273 K, 1373 K, and 1473 K (900 °C, 1000 °C, 1100 °C, and 1200 °C)] under N2. This study reveals that the working temperature has a strong impact on the devolatilization rate of the lump coal: the reaction rate increases with the increasing temperature. However, the temperature has little influence on the maximum mass loss. The conversion rate curve shows that the reaction rate of HY lump coal is higher than KG lump coal. The lump coals were analyzed by XRD, FTIR, and optical microscopy to explore the correlation between devolatilization rate and properties of lump coal. The results show that the higher reaction rate of HY lump coal attributes to its more active maceral components, less aromaticity and orientation degree of the crystallite, and more oxygenated functional groups. The random nucleation and nuclei growth model (RNGM), volume model (VM), and unreacted shrinking core model (URCM) were employed to describe the reaction behavior of lump coal. It was concluded from kinetics analysis that RNGM model was the best model for describing the devolatilization of lump coals. The apparent activation energies of isothermal devolatilization of HY lump coal and KG lump coal are 42.35 and 45.83 kJ/mol, respectively. This study has implications for the characteristics and mechanism modeling of devolatilization of lump coal in COREX gasifier.

Wave propagation modeling in composites reinforced by randomly oriented fibers

NASA Astrophysics Data System (ADS)

Kudela, Pawel; Radzienski, Maciej; Ostachowicz, Wieslaw

2018-02-01

A new method for prediction of elastic constants in randomly oriented fiber composites is proposed. It is based on mechanics of composites, the rule of mixtures and total mass balance tailored to the spectral element mesh composed of 3D brick elements. Selected elastic properties predicted by the proposed method are compared with values obtained by another theoretical method. The proposed method is applied for simulation of Lamb waves in glass-epoxy composite plate reinforced by randomly oriented fibers. Full wavefield measurements conducted by the scanning laser Doppler vibrometer are in good agreement with simulations performed by using the time domain spectral element method.

Distinct crystallinity and orientations of hydroxyapatite thin films deposited on C- and A-plane sapphire substrates

NASA Astrophysics Data System (ADS)

Akazawa, Housei; Ueno, Yuko

2014-10-01

We report how the crystallinity and orientation of hydroxyapatite (HAp) films deposited on sapphire substrates depend on the crystallographic planes. Both solid-phase crystallization of amorphous HAp films and crystallization during sputter deposition at elevated temperatures were examined. The low-temperature epitaxial phase on C-plane sapphire substrates has c-axis orientated HAp crystals regardless of the crystallization route, whereas the preferred orientation switches to the (310) direction at higher temperatures. Only the symmetric stretching mode (ν1) of PO43- units appears in the Raman scattering spectra, confirming well-ordered crystalline domains. In contrast, HAp crystals grown on A-plane sapphire substrates are always oriented toward random orientations. Exhibiting all vibrational modes (ν1, ν3, and ν4) of PO43- units in the Raman scattering spectra reflects random orientation, violating the Raman selection rule. If we assume that Raman intensities of PO43- units represent the crystallinity of HAp films, crystallization terminating the surface with the C-plane is hindered by the presence of excess H2O and OH species in the film, whereas crystallization at random orientations on the A-plane sapphire is rather promoted by these species. Such contrasting behaviors between C-plane and A-plane substrates will reflect surface-plane dependent creation of crystalline seeds and eventually determine the orientation of resulting HAp films.

Free Vibration of Uncertain Unsymmetrically Laminated Beams

NASA Technical Reports Server (NTRS)

Kapania, Rakesh K.; Goyal, Vijay K.

2001-01-01

Monte Carlo Simulation and Stochastic FEA are used to predict randomness in the free vibration response of thin unsymmetrically laminated beams. For the present study, it is assumed that randomness in the response is only caused by uncertainties in the ply orientations. The ply orientations may become random or uncertain during the manufacturing process. A new 16-dof beam element, based on the first-order shear deformation beam theory, is used to study the stochastic nature of the natural frequencies. Using variational principles, the element stiffness matrix and mass matrix are obtained through analytical integration. Using a random sequence a large data set is generated, containing possible random ply-orientations. This data is assumed to be symmetric. The stochastic-based finite element model for free vibrations predicts the relation between the randomness in fundamental natural frequencies and the randomness in ply-orientation. The sensitivity derivatives are calculated numerically through an exact formulation. The squared fundamental natural frequencies are expressed in terms of deterministic and probabilistic quantities, allowing to determine how sensitive they are to variations in ply angles. The predicted mean-valued fundamental natural frequency squared and the variance of the present model are in good agreement with Monte Carlo Simulation. Results, also, show that variations between plus or minus 5 degrees in ply-angles can affect free vibration response of unsymmetrically and symmetrically laminated beams.

Assembly of Layered Monetite-Chitosan Nanocomposite and Its Transition to Organized Hydroxyapatite.

PubMed

Ruan, Qichao; Liberman, David; Zhang, Yuzheng; Ren, Dongni; Zhang, Yunpeng; Nutt, Steven; Moradian-Oldak, Janet

2016-06-13

Bioinspired synthesis of hierarchically structured calcium phosphate (CaP) material is a highly promising strategy for developing improved bone substitute materials. However, synthesis of CaP materials with outstanding mechanical properties still remains an ongoing challenge. Inspired by the formation of lamellar structure in nacre, we designed an organic matrix composed of chitosan and cis-butenediolic acid (maleic acid, MAc) that could assemble into a layered complex and further guide the mineralization of monetite crystals, resulting in the formation of organized and parallel arrays of monetite platelets with a brick-and-mortar structure. Using the layered monetite-chitosan composite as a precursor, we were able to synthesize hydroxyapatite (HAp) with multiscale hierarchically ordered structure via a topotactic phase transformation process. On the nanoscale, needlelike HAp crystallites assembled into organized bundles that aligned to form highly oriented plates on the microscale. On the large-scale level, these plates with different crystal orientations were stacked together to form a layered structure. The organized structures and composite feature yielded CaP materials with improved mechanical properties close to those of bone. Our study introduces a biomimetic approach that may be practical for the design of advanced, mechanically robust materials for biomedical applications.

Utilization of oriented crystal growth for screening of aromatic carboxylic acids cocrystallization with urea

NASA Astrophysics Data System (ADS)

Przybyłek, Maciej; Ziółkowska, Dorota; Kobierski, Mirosław; Mroczyńska, Karina; Cysewski, Piotr

2016-01-01

The possibility of molecular complex formation in the solid state of urea with benzoic acid analogues was measured directly on the crystallite films deposited on the glass surface using powder X-ray diffractometry (PXRD). Obtained solid mixtures were also analyzed using Fourier transform infrared spectroscopy (FTIR). The simple droplet evaporation method was found to be efficient, robust, fast and cost-preserving approach for first stage cocrystal screening. Additionally, the application of orientation effect to cocrystal screening simplifies the analysis due to damping of majority of diffraction signals coming from coformers. During validation phase the proposed approach successfully reproduced both positive cases of cocrystallization (urea:salicylic acid and urea:4-hydroxy benzoic acid) as well as pairs of co-formers immiscible in the solid state (urea:benzoic acid and urea:acetylsalicylic acids). Based on validated approach new cocrystals of urea were identified in complexes with 3-hydroxybenzoic acid, 2,4-dihydroxybenzoic acid, 2,5-dihydroxybenzoic acid, 2,6-dihydroxybenzoic acid and 3,5-dihydroxybenzoic acid. In all cases formation of multicomponent crystal phase was confirmed by the appearance of new reflexes on the diffraction patterns and FTIR absorption band shifts of O-H and N-H groups.

Influence of crystallite size on the magnetic and heat generation properties of La0.77Sr0.23MnO3 nanoparticles for hyperthermia applications

NASA Astrophysics Data System (ADS)

Das, Harinarayan; Inukai, Akihiro; Debnath, Nipa; Kawaguchi, Takahiko; Sakamoto, Naonori; Hoque, Sheikh Manjura; Aono, Hiromichi; Shinozaki, Kazuo; Suzuki, Hisao; Wakiya, Naoki

2018-01-01

In this paper, we report a detailed study of magnetic properties and AC magnetic heat generation characteristics of La0.77Sr0.23MnO3 (LSMO) nanoparticles to investigate appropriate crystallite size with a view to the proper application of self-controlled magnetic hyperthermia treatments of cancer. A series of nanocrystalline LSMO manganite was synthesized through the chemical route called as "polymerized complex method" and then subsequently annealed at the different temperature from 600 to 1400 °C to obtain various crystallite size. Phase formation and crystal structure of the prepared powder were determined by the powder X-ray diffraction (XRD) using Rietveld analysis. The XRD patterns reveal that all powder samples are a single phase rhombohedral perovskite-like structure with R 3 bar c space group. The mean crystallite size of prepared particles varied from 19 to 243.8 nm with the increase of the annealing temperature starting from 600 to 1400 °C. The field emission scanning electron microscopy (FE-SEM) analysis shows the surface morphology with a strong agglomeration of fine nanoparticles. The Magnetic study reveals that these nanoparticles exhibit ferromagnetic nature with different value of magnetization, coercivity, Curie temperature which is strongly dependent on their crystallite size. The maximum saturation temperature (TS = 66 °C) under AC magnetic field (H = 1.77 kA/m, f = 370 kHz) was found for the crystallite size of 39.5 nm due to its pure single domain phase. Such LSMO nanoparticles, having the higher heating rate, can be used in magnetically induced hyperthermia cancer treatment.

Phase Composition, Crystallite Size and Physical Properties of B2O3-added Forsterite Nano-ceramics

NASA Astrophysics Data System (ADS)

Pratapa, S.; Chairunnisa, A.; Nurbaiti, U.; Handoko, W. D.

2018-05-01

This study was aimed to know the effect of B2O3 addition on the phase composition, crystallite size and dielectric properties of forsterite (Mg2SiO4) nano-ceramics. It utilized a purified silica sand from Tanah Laut, South Kalimantan as the source of (amorphous) silica and a magnesium oxide (MgO) powder. They were thoroughly mixed and milled prior to calcination. The addition of 1, 2, 3, and 4 wt% B2O3 to the calcined powder was done before uniaxial pressing and then sintering at 950 °C for 4 h. The phase composition and forsterite crystallite size, the microstructure and the dielectric constant of the sintered samples were characterized using X-ray diffractometer (XRD), Scanning Electron Microscope (SEM) and Vector Network Analyzer (VNA), respectively. Results showed that all samples contained forsterite, periclase (MgO) and proto enstatite (MgSiO3) with different weight fractions and forsterite crystallite size. In general, the weight fraction and crystallite size of forsterite increased with increasing B2O3 addition. The weight fraction and crystallite size of forsterite in the 4%-added sample reached 99% wt and 164 nm. Furthermore, the SEM images showed that the average grain size became slightly larger and the ceramics also became slightly denser as more B2O3 was added. The results are in accordance with density measurements using the Archimedes method which showed that the 4% ceramic exhibited 1.845 g/cm3 apparent density, while the 1% ceramic 1.681 g/cm3. We also found that the higher the density, the higher the average dielectric constant, i.e. it was 4.6 for the 1%-added sample and 6.4 for the 4%-added sample.

Soft X-Ray Absorption Spectroscopy of High-Abrasion-Furnace Carbon Black

DOE Office of Scientific and Technical Information (OSTI.GOV)

Muramatsu, Yasuji; Harada, Ryusuke; Gullikson, Eric M.

2007-02-02

The soft x-ray absorption spectra of high-abrasion-furnace carbon black were measured to obtain local-structure/chemical-states information of the primary particles and/or crystallites. The soft x-ray absorption spectral features of carbon black represent broader {pi}* and {sigma}* peak structures compared to highly oriented pyrolytic graphite (HOPG). The subtracted spectra between the carbon black and HOPG, (carbon black) - (HOPG), show double-peak structures on both sides of the {pi}* peak. The lower-energy peak, denoted as the 'pre-peak', in the subtracted spectra and the {pi}*/{sigma}* peak intensity ratio in the absorption spectra clearly depend on the specific surface area by nitrogen adsorption (NSA). Therefore,more » it is concluded that the pre-peak intensity and the {pi}*/{sigma}* ratio reflect the local graphitic structure of carbon black.« less

Correlation of electron backscatter diffraction and piezoresponse force microscopy for the nanoscale characterization of ferroelectric domains in polycrystalline lead zirconate titanate

NASA Astrophysics Data System (ADS)

Burnett, T. L.; Weaver, P. M.; Blackburn, J. F.; Stewart, M.; Cain, M. G.

2010-08-01

The functional properties of ferroelectric ceramic bulk or thin film materials are strongly influenced by their nanostructure, crystallographic orientation, and structural geometry. In this paper, we show how, by combining textural analysis, through electron backscattered diffraction, with piezoresponse force microscopy, quantitative measurements of the piezoelectric properties can be made at a scale of 25 nm, smaller than the domain size. The combined technique is used to obtain data on the domain-resolved effective single crystal piezoelectric response of individual crystallites in Pb(Zr0.4Ti0.6)O3 ceramics. The results offer insight into the science of domain engineering and provide a tool for the future development of new nanostructured ferroelectric materials for memory, nanoactuators, and sensors based on magnetoelectric multiferroics.

Near band edge emission characteristics of sputtered nano-crystalline ZnO films

NASA Astrophysics Data System (ADS)

Kunj, Saurabh; Sreenivas, K.

2016-05-01

Sputtered zinc oxide (ZnO) thin films deposited on unheated glass substrate under different sputtering gas mixtures (Ar+O2) have been investigated using X-ray diffraction and photo luminescence spectroscopy. Earlier reported studies on ZnO films prepared by different techniques exhibit either a sharp/broad near band edge (NBE) emission peak depending on the crystalline quality of the film. In the present study zinc oxide films, grown on unheated substrates, are seen to possess a preferred (002) orientation with a microstructure consisting of clustered nano-sized crystallites. The splitting in the near band edge emission (NBE) into three characteristic peaks is attributed to quantum confinement effect, and is observed specifically under an excitation of 270 nm. Deep level emission (DLE) in the range 400 to 700 nm is not observed indicating absence of deep level radiative defects.

Development of single crystal membranes

NASA Technical Reports Server (NTRS)

Stormont, R. W.; Cocks, F. H.

1972-01-01

The design and construction of a high pressure crystal growth chamber was accomplished which would allow the growth of crystals under inert gas pressures of 2 MN/sq m (300 psi). A novel crystal growth technique called EFG was used to grow tubes and rods of the hollandite compounds, BaMgTi7O16, K2MgTi7O16, and tubes of sodium beta-alumina, sodium magnesium-alumina, and potassium beta-alumina. Rods and tubes grown are characterized using metallographic and X-ray diffraction techniques. The hollandite compounds are found to be two or three-phase, composed of coarse grained orientated crystallites. Single crystal c-axis tubes of sodium beta-alumina were grown from melts containing excess sodium oxide. Additional experiments demonstrated that crystals of magnesia doped beta-alumina and potassium beta-alumina also can be achieved by this EFG technique.

Mineralogy and provenance of clays in miarolitic cavities of the Pikes Peak Batholith, Colorado

USGS Publications Warehouse

Kile, D.E.

2005-01-01

Clay samples from 105 cavities within miarolitic granitic pegmatites throughout the Pikes Peak batholith, in Colorado, were analyzed by powder X-ray diffraction (XRD). Smectite (beidellite), illite, and kaolinite were found within the cavities. Calculation of crystallite-thickness distribution (CTD), mean thickness of the crystallites, and variance in crystallite thickness, as deduced from XRD patterns, allowed a determination of provenance and mode of formation for illite and smectite. Authigenic miarolitic-cavity illite and smectite show lognormal CTDs and larger mean thicknesses of crystallites than do their soil-derived counterparts; non-lognormal illite in a cavity results from mixing of cavity and soil illite. Analysis of mean thickness and thickness variance shows that crystal growth of illite is initiated by a nucleation event of short duration, followed by surface-controlled kinetics. Crystallization of the miarolitic cavity clays is presumed to occur by neoformation from hydrothermal fluids. The assessment of provenance allows a determination of regional and local distributions of clay minerals in miarolitic cavities within the Pikes Peak batholith.

Size distribution of magnetic iron oxide nanoparticles using Warren-Averbach XRD analysis

NASA Astrophysics Data System (ADS)

Mahadevan, S.; Behera, S. P.; Gnanaprakash, G.; Jayakumar, T.; Philip, J.; Rao, B. P. C.

2012-07-01

We use the Fourier transform based Warren-Averbach (WA) analysis to separate the contributions of X-ray diffraction (XRD) profile broadening due to crystallite size and microstrain for magnetic iron oxide nanoparticles. The profile shape of the column length distribution, obtained from WA analysis, is used to analyze the shape of the magnetic iron oxide nanoparticles. From the column length distribution, the crystallite size and its distribution are estimated for these nanoparticles which are compared with size distribution obtained from dynamic light scattering measurements. The crystallite size and size distribution of crystallites obtained from WA analysis are explained based on the experimental parameters employed in preparation of these magnetic iron oxide nanoparticles. The variation of volume weighted diameter (Dv, from WA analysis) with saturation magnetization (Ms) fits well to a core shell model wherein it is known that Ms=Mbulk(1-6g/Dv) with Mbulk as bulk magnetization of iron oxide and g as magnetic shell disorder thickness.

In situ investigation of the mobility of small gold clusters on cleaved MgO surfaces

NASA Technical Reports Server (NTRS)

Metois, J. J.; Heinemann, K.; Poppa, H.

1976-01-01

The mobility of small clusters of gold (about 10 A in diameter) on electron-beam-cleaved MgO surfaces was studied by in situ transmission electron microscopy under controlled vacuum and temperature conditions. During the first 10 min following a deposition at room temperature, over 10 per cent of the crystallites moved over short distances (about 20 A) discontinuously, with a velocity greater than 150 A/sec. Eighty per cent of the mobility events were characterized by the avoidance of proximity of other crystallites, and this was tentatively explained as the result of repulsive elastic forces between the interacting crystallites.

Structural and growth aspects of electron beam physical vapor deposited NiO-CeO{sub 2} nanocomposite films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuanr, Sushil Kumar; K, Suresh Babu, E-mail: sureshbabu.nst@pondiuni.edu.in

2016-03-15

Deposition of composite materials as thin film by electron beam physical vapor deposition technique (EB-PVD) still remains as a challenge. Here, the authors report the deposition of NiO-CeO{sub 2} (30/70 wt. %) composites on quartz substrate by EB-PVD. Two NiO-CeO{sub 2} nanocomposite targets—one as green compact and the other after sintering at 1250 °C—were used for the deposition. Though the targets varied with respect to physical properties such as crystallite size (11–45 nm) and relative density (44% and 96%), the resultant thin films exhibited a mean crystallite size in the range of 20–25 nm underlining the role of physical nature of deposition. In spitemore » of the crystalline nature of the targets and similar elemental concentration, a transformation from amorphous to crystalline structure was observed in thin films on using sintered target. Postannealing of the as deposited film at 800 °C resulted in a polycrystalline structure consisting of CeO{sub 2} and NiO. Deposition using pure CeO{sub 2} or NiO as target resulted in the preferential orientation toward (111) and (200) planes, respectively, showing the influence of adatoms on the evaporation and growth process of NiO-CeO{sub 2} composite. The results demonstrate the influence of electron beam gun power on the adatom energy for the growth process of composite oxide thin films.« less

Visible photoassisted room-temperature oxidizing gas-sensing behavior of Sn2S3 semiconductor sheets through facile thermal annealing.

PubMed

Liang, Yuan-Chang; Lung, Tsai-Wen; Wang, Chein-Chung

2016-12-01

Well-crystallized Sn 2 S 3 semiconductor thin films with a highly (111)-crystallographic orientation were grown using RF sputtering. The surface morphology of the Sn 2 S 3 thin films exhibited a sheet-like feature. The Sn 2 S 3 crystallites with a sheet-like surface had a sharp periphery with a thickness in a nanoscale size, and the crystallite size ranged from approximately 150 to 300 nm. Postannealing the as-synthesized Sn 2 S 3 thin films further in ambient air at 400 °C engendered roughened and oxidized surfaces on the Sn 2 S 3 thin films. Transmission electron microscopy analysis revealed that the surfaces of the Sn 2 S 3 thin films transformed into a SnO 2 phase, and well-layered Sn 2 S 3 -SnO 2 heterostructure thin films were thus formed. The Sn 2 S 3 -SnO 2 heterostructure thin film exhibited a visible photoassisted room-temperature gas-sensing behavior toward low concentrations of NO 2 gases (0.2-2.5 ppm). By contrast, the pure Sn 2 S 3 thin film exhibited an unapparent room-temperature NO 2 gas-sensing behavior under illumination. The suitable band alignment at the interface of the Sn 2 S 3 -SnO 2 heterostructure thin film and rough surface features might explain the visible photoassisted room-temperature NO 2 gas-sensing responses of the heterostructure thin film on exposure to NO 2 gas at low concentrations in this work.

3D Representative Volume Element Reconstruction of Fiber Composites via Orientation Tensor and Substructure Features

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yi; Chen, Wei; Xu, Hongyi

To provide a seamless integration of manufacturing processing simulation and fiber microstructure modeling, two new stochastic 3D microstructure reconstruction methods are proposed for two types of random fiber composites: random short fiber composites, and Sheet Molding Compounds (SMC) chopped fiber composites. A Random Sequential Adsorption (RSA) algorithm is first developed to embed statistical orientation information into 3D RVE reconstruction of random short fiber composites. For the SMC composites, an optimized Voronoi diagram based approach is developed for capturing the substructure features of SMC chopped fiber composites. The proposed methods are distinguished from other reconstruction works by providing a way ofmore » integrating statistical information (fiber orientation tensor) obtained from material processing simulation, as well as capturing the multiscale substructures of the SMC composites.« less

Size-induced variations in bulk/surface structures and their impact on photoluminescence properties of GdVO4:Eu3+ nanoparticles.

PubMed

Yang, Liusai; Li, Liping; Zhao, Minglei; Li, Guangshe

2012-07-28

This work explores the size-induced lattice modification and its relevance to photoluminescence properties of tetragonal zircon-type GdVO(4):Eu(3+) nanostructures. GdVO(4):Eu(3+) nanoparticles with crystallite sizes ranging from 14.4 to 24.7 nm were synthesized by a hydrothermal method using sodium citrate as a capping agent. Regardless of the reaction temperatures, all samples retained an ellipsoidal-like morphology. Nevertheless, as the crystallite size reduces, there appears a tensile strain and lattice distortion, which is accompanied by a lattice expansion and a decreased symmetry of structural units. These lattice modifications could be associated with the changes in the interior chemical bonding due to the interactions of surface defect dipoles that have imposed an increased negative pressure with crystallite size reduction. Furthermore, crystallite size reduction also led to a significant increase in the amounts of surface hydroxyl groups and citric species, as well as the concentration of the surface Eu(3+) ions. When Eu(3+) was taken as a structural probe, it was found that the asymmetric ratio (I(02)/I(01)) of Eu(3+) gradually declined to show a remarkable decrease in color chromaticity as crystallite size reduces, which could be interpreted as due to the change of local environments of Eu(3+) ions from the interior to the surface of the nanoparticles.

Polymorphism influences singlet fission rates in tetracene thin films

DOE PAGES

Arias, Dylan H.; Ryerson, Joseph L.; Cook, Jasper D.; ...

2015-11-06

Here, we report the effect of crystal structure and crystallite grain size on singlet fission (SF) in polycrystalline tetracene, one of the most widely studied SF and organic semiconductor materials. SF has been comprehensively studied in one polymoprh (Tc I), but not in the other, less stable polymorph (Tc II). Using carefully controlled thermal evaporation deposition conditions and high sensitivity ultrafast transient absorption spectroscopy, we found that for large crystallite size samples, SF in nearly pure Tc II films is significantly faster than SF in Tc I films. We also discovered that crystallite size has a minimal impact on themore » SF rate in Tc II films, but a significant influence in Tc I films. Large crystallites exhibit SF times of 125 ps and 22 ps in Tc I and Tc II, respectively, whereas small crystallites have SF times of 31 ps and 33 ps. Our results demonstrate first, that attention must be paid to polymorphism in obtaining a self-consistent rate picture for SF in tetracene and second, that control of polymorphism can play a significant role towards achieving a mechanistic understanding of SF in polycrystalline systems. In this latter context we show that conventional theory based on non-covalent tetracene couplings is insufficient, thus highlighting the need for models that capture the delocalized and highly mobile nature of excited states in elucidating the full photophysical picture.« less

Competitive stereocomplexation, homocrystallization, and polymorphic crystalline transition in poly(L-lactic acid)/poly(D-lactic acid) racemic blends: molecular weight effects.

PubMed

Pan, Pengju; Han, Lili; Bao, Jianna; Xie, Qing; Shan, Guorong; Bao, Yongzhong

2015-05-28

Competitive crystallization kinetics, polymorphic crystalline structure, and transition of poly(l-lactic acid)/poly(d-lactic acid) (PLLA/PDLA) racemic blends with a wide range of molecular weights (MWs) were symmetrically investigated. Stereocomplex (sc) crystallites are exclusively formed in the low-MW racemic blends. However, stereocomplexation is remarkably depressed, and homocrystallization becomes prevailing with increasing MWs of PLLA and PDLA. Suppressed stereocomplexation in high-MW (HMW) racemic blends is proposed to be due to the low chain diffusion ability and restricted intermolecular crystal nucleation/growth. Equilibrium melting point of sc crystallites first increases and then decreases as MW increases. Crystallinity and relative fraction of sc crystallites in racemic blends enhance with crystallization temperature (Tc), and the sc crystallites are merely formed at Tc > 170 °C because of their higher thermodynamic stability. In situ wide-angle X-ray diffraction (WAXD) analysis reveals that the stereocomplexation and homocrystallization are successive rather than completely simultaneous, and the stereocomplexation is preceding homocrystallization in isothermal crystallization of HMW racemic blends. Both initial crystalline structure of homocrystallites (hc) and MW influence the heating-induced hc-to-sc transition of HMW racemic blend drastically; the hc-to-sc transition becomes easier with decreasing Tc and MW. After crystallization at the same temperature, sc crystallites show smaller long period than their hc counterparts.

Method of controlling crystallite size in nuclear-reactor fuels

DOEpatents

Lloyd, Milton H.; Collins, Jack L.; Shell, Sam E.

1985-01-01

Improved spherules for making enhanced forms of nuclear-reactor fuels are prepared by internal gelation procedures within a sol-gel operation and are accomplished by first boiling the concentrated HMTA-urea feed solution before engaging in the spherule-forming operation thereby effectively controlling crystallite size in the product spherules.

THE EFFECT OF SATELLITE LINES FROM THE X-RAY SOURCE ON X-RAY DIFFRACTION PEAKS

EPA Science Inventory

The article discusses the development of a method for relating reactivity to crystallite size and strain parameters obtained by the Warren-Averbach technique. EPA has been using crystallite size and strain data obtained from x-ray diffraction (XRD) peak profile analysis to predic...

Method of controlling crystallite size in nuclear-reactor fuels

DOEpatents

Lloyd, M.H.; Collins, J.L.; Shell, S.E.

Improved spherules for making enhanced forms of nuclear-reactor fuels are prepared by internal gelation procedures within a sol-gel operation and are accomplished by first boiling the concentrated HMTA-urea feed solution before engaging in the spherule-forming operation thereby effectively controlling crystallite size in the product spherules.

Oriented antibody immobilization on self-assembled monolayers applied as impedance biosensors

NASA Astrophysics Data System (ADS)

Tsugimura, Kaiki; Ohnuki, Hitoshi; Wu, Haiyun; Endo, Hideaki; Tsuya, Daiju; Izumi, Mitsuru

2017-11-01

Oriented immobilization of antibodies on a sensor chip is crucial for enhancing both the sensitivity and antigen-binding capacity of immunosensors. Here, we report a comparative study of the effect of oriented and random antibody immobilization on the binding efficiency by electrochemical impedance spectroscopy (EIS). Oriented immobilization of anti-myoglobin immunoglobulin G (anti-Myo IgG) was achieved by bonding to an Fc receptor of protein G (PrG) on a self-assembled monolayer (SAM), which results in the myoglobin (Myo) binding sites being exposed outside the sensing surface. Random immobilization of anti-Myo IgG was achieved by direct covalent attachment to the SAM surface. Both immobilizations were applied to interdigitated electrodes to enhance the electrochemical signal, and the Myo biosensor performance was then evaluated by a series of EIS measurements. We found that (i) the rate of the normalized charge transfer resistance for the oriented sample was 3 times higher than that for the random sample and (ii) the detection limit was 0.001 ng/mL, which is the lowest recorded detection limit among Myo immunosensors based on EIS. These findings indicate that oriented antibody immobilization is crucial for preparing highly sensitive EIS-based biosensors.

[Three-dimensional parallel collagen scaffold promotes tendon extracellular matrix formation].

PubMed

Zheng, Zefeng; Shen, Weiliang; Le, Huihui; Dai, Xuesong; Ouyang, Hongwei; Chen, Weishan

2016-03-01

To investigate the effects of three-dimensional parallel collagen scaffold on the cell shape, arrangement and extracellular matrix formation of tendon stem cells. Parallel collagen scaffold was fabricated by unidirectional freezing technique, while random collagen scaffold was fabricated by freeze-drying technique. The effects of two scaffolds on cell shape and extracellular matrix formation were investigated in vitro by seeding tendon stem/progenitor cells and in vivo by ectopic implantation. Parallel and random collagen scaffolds were produced successfully. Parallel collagen scaffold was more akin to tendon than random collagen scaffold. Tendon stem/progenitor cells were spindle-shaped and unified orientated in parallel collagen scaffold, while cells on random collagen scaffold had disorder orientation. Two weeks after ectopic implantation, cells had nearly the same orientation with the collagen substance. In parallel collagen scaffold, cells had parallel arrangement, and more spindly cells were observed. By contrast, cells in random collagen scaffold were disorder. Parallel collagen scaffold can induce cells to be in spindly and parallel arrangement, and promote parallel extracellular matrix formation; while random collagen scaffold can induce cells in random arrangement. The results indicate that parallel collagen scaffold is an ideal structure to promote tendon repairing.

Population gratings in saturable optical fibers with randomly oriented rare-earth ions

NASA Astrophysics Data System (ADS)

Stepanov, S.; Martinez, L. M.; Hernandez, E. H.; Agruzov, P.; Shamray, A.

2015-07-01

Formation of the dynamic population gratings in optical fibers with randomly oriented rare-earth ions is analyzed with a special interest to the grating component for readout with the orthogonal light polarization. It is shown that as compared with a simple model case of the collinearly oriented dipole-like centers their random orientation leads to approximately 2-times growth of the effective saturation power P sat when it is estimated from the incident power dependence of the fiber absorption or from that of the fluorescence intensity. An optimal incident power, for which the maximum of the dynamic population grating amplitude for collinear light polarization is observed, also follows this change in P sat, while formation of the grating for orthogonal polarization needs essentially higher light power. The reduced anisotropy of the active centers, which is in charge of the experimentally observed weakening of the polarization hole burning (PHB) and of the fluorescence polarization, compensates in some way the effect of random ion orientation. The ratio between the maximum conventional (i.e. for the interacting waves collinear polarizations) two-wave mixing (TWM) amplitude and the initial not saturable fiber optical density proves to be, however, nearly the same as in the model case of collinearly oriented dipoles. The ratio between the PHB effect and the amplitude of the anisotropic grating, which is responsible for TWM of the orthogonally polarized waves, is also not influenced significantly by the reduced anisotropy of ions.

Epitaxial Fe/Y2O3 interfaces as a model system for oxide-dispersion-strengthened ferritic alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaspar, Tiffany C.; Bowden, Mark E.; Wang, Chong M.

2015-02-01

The fundamental mechanisms underlying the superior radiation tolerance properties of oxide-dispersion-strengthened ferritic steels and nanostructured ferritic alloys are poorly understood. Thin film heterostructures of Fe/Y2O3 can serve as a model system for fundamental studies of radiation damage. Epitaxial thin films of Y2O3 were deposited by pulsed laser deposition on 8% Y:ZrO2 (YSZ) substrates with (100), (110), and (111) orientation. Metallic Fe was subsequently deposited by molecular beam epitaxy. Characterization by x-ray diffraction and Rutherford backscattering spectrometry in the channeling geometry revealed a degree of epitaxial or axiotaxial ntation for Fe(211) deposited on Y2O3(110)/YSZ(110). In contrast, Fe on Y2O3(111)/YSZ(111) was fullymore » polycrystalline, and Fe on Y2O3(100)/YSZ(100) exhibited out-of-plane texture in the [110] direction with little or no preferential in-plane orientation. Scanning transmission electron microscopy imaging of Fe(211)/Y2O3(110)/YSZ(110) revealed a strongly islanded morphology for the Fe film, with no epitaxial grains visible in the cross-sectional sample. Well-ordered Fe grains with no orientation to the underlying Y2O3 were observed. Well-ordered crystallites of Fe with both epitaxial and non-epitaxial orientations on Y2O3 are a promising model system for fundamental studies of radiation damage phenomena. This is illustrated with preliminary results of He bubble formation following implantation with a helium ion microscope. He bubble formation is shown to preferentially occur at the Fe/Y2O3 interface.« less

Correlations between Crystallite Size, Shape, Surface, and Infrared Spectra Using the Ti-C System

NASA Astrophysics Data System (ADS)

Kimura, Y.; Ikegami, A.; Kurumada, M.; Kamitsuji, K.; Kaito, C.

2004-06-01

TiC crystallites less than 10 nm in size showed an absorption feature at 14.3 μm. This 14.3 μm absorption was rarely seen in specimens ranging from bulk material to grains of 50 nm in size. The 14.3 μm feature was weakened as a result of the growth of TiC crystallites by heat treatment. When the carbide grains were covered with a carbon layer, the absorption peaks were considerably weakened, i.e., the absorption intensity depended on the grain surface state. A possible explanation is that the effects of size and shape on the spectra depend on the surface anisotropy.

Diamond Composite Films for Protective Coatings on Metals and Method of Formation

NASA Technical Reports Server (NTRS)

Ong, Tiong P. (Inventor); Shing, Yuh-Han (Inventor)

1997-01-01

Composite films consisting of diamond crystallites and hard amorphous films such as diamond-like carbon, titanium nitride, and titanium oxide are provided as protective coatings for metal substrates against extremely harsh environments. A composite layer having diamond crystallites and a hard amorphous film is affixed to a metal substrate via an interlayer including a bottom metal silicide film and a top silicon carbide film. The interlayer is formed either by depositing metal silicide and silicon carbide directly onto the metal substrate, or by first depositing an amorphous silicon film, then allowing top and bottom portions of the amorphous silicon to react during deposition of the diamond crystallites, to yield the desired interlayer structure.

Effect of calcination temperature on phase transformation and crystallite size of copper oxide (CuO) powders

NASA Astrophysics Data System (ADS)

Ratnawulan, Fauzi, Ahmad; AE, Sukma Hayati

2017-08-01

Copper oxide powder was prepared from Copper iron from South Solok, Indonesia. The samples was dried and calcined for an hour at temperatures of 145°C, 300°C,850°C, 1000°C. Phase transformation and crystallite size of the calcined powders have been investigated as a function of calcination temperature by room-temperature X-ray diffraction (XRD). It was seen that the tenorite, CuO was successfully obtained. With increasing calcining temperature, CuO transformed from malachite Cu2(CO3)(OH)2 to tenorite phase (CuO) and crystallite size of prepared samples increased from 36 nm to 76 nm.

Predicting bending stiffness of randomly oriented hybrid panels

Treesearch

Laura Moya; William T.Y. Tze; Jerrold E. Winandy

2010-01-01

This study was conducted to develop a simple model to predict the bending modulus of elasticity (MOE) of randomly oriented hybrid panels. The modeling process involved three modules: the behavior of a single layer was computed by applying micromechanics equations, layer properties were adjusted for densification effects, and the entire panel was modeled as a three-...

On sub-T(g) dewetting of nanoconfined liquids and autophobic dewetting of crystallites.

PubMed

Souda, Ryutaro

2012-03-28

The glass transition temperature (T(g)) of thin films is reduced by nanoconfinement, but it is also influenced by the free surface and substrate interface. To gain more insights into their contributions, dewetting behaviors of n-pentane, 3-methylpentane, and toluene films are investigated on various substrates as functions of temperature and film thickness. It is found that monolayers of these molecules exhibit sub-T(g) dewetting on a perfluoro-alkyl modified Ni substrate, which is attributable to the evolution of a 2D liquid. The onset temperature of dewetting increases with film thickness because fluidity evolves via cooperative motion of many molecules; sub-T(g) dewetting is observed for films thinner than 5 monolayers. In contrast, monolayers wet substrates of graphite, silicon, and amorphous solid water until crystallization occurs. The crystallites exhibit autophobic dewetting on the substrate covered with a wetting monolayer. The presence of premelting layers is inferred from the fact that n-pentane crystallites disappear on amorphous solid water via intermixing. Thus, the properties of quasiliquid formed on the crystallite surface differ significantly from those of the 2D liquid formed before crystallization.

Magnetic and critical properties of Pr0.6Sr0.4MnO3 nanocrystals prepared by a combination of the solid state reaction and the mechanical ball milling methods

NASA Astrophysics Data System (ADS)

Dung, Nguyen Thi; Linh, Dinh Chi; Huyen Yen, Pham Duc; Yu, Seong Cho; Van Dang, Nguyen; Dang Thanh, Tran

2018-06-01

Influence of the crystallite size on the magnetic and critical properties of nanocrystals has been investigated. The results show that Curie temperature and magnetization slightly decrease with decreasing average crystallite size . Based on the mean-field theory and the magnetic-field dependences of magnetization at different temperatures , we pointed out that the ferromagnetic-paramagnetic phase transition in the samples undergoes the second-order phase transition with the critical exponents (, , and ) close to those of the mean-field theory. However, there is a small deviation from those expected for the mean-field theory of the values of , and obtained for the samples. It means that short-range ferromagnetic interactions appear in the smaller particles. In other words, nanocrystals become more magnetically inhomogeneous with smaller crystallite sizes that could be explained by the presence of surface-related effects, lattice strain and distortions, which lead the strength of ferromagnetic interaction is decreased in the small crystallite sizes.

Study of energy vs misorientation for grain boundaries in gold by crystallite rotation method - I. (001) twist boundaries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chan, S-W; Balluffi, R.W.

1985-06-01

Small gold crystallites ( about50-80 nm dia) were welded to thin film (001) single crystal gol substrates at a series of predetermined (001) twist angles in the range 0.45/sup 0/. A pure (001) twist boundary therefore existed in each welded neck region which could be observed directly by transmission electron microscopy at normal incidence. Upon annealing, the crystallites rotated around (001) when the boundary energy varied with theta. The crystallites rotated into three misorientations corresponding to the special ..sigma..1 and ..sigma..5 misorientations and a symmetry related misorientation at theta = 45/sup 0/. These results indicate the existence of grain boundarymore » dislocation (GBD) related cusps on the boundary energy vs theta curve a ..sigma..1 and ..sigma..5. The rotations occurred conservatively by the motion of screw GBDs which could be observed directly by the transmission microscopy in certain regimes of theta. The results are relevant to recent calculations of the energies of (001) twist boundaries and the applicability of the GBD/structural unit model for grain boundaries.« less

A Practical Guide for the Preparation of Specimens for X-ray Fluorescence and X-ray Diffraction Analysis (by V. E. Buhrke, R. Jenkins, and D. K. Smith)

NASA Astrophysics Data System (ADS)

Rudman, Reuben

1999-06-01

Wiley-VCH: New York, 1998. xxiv + 333 pp. ISBN 0-471-19458-1. $79.95. I would have subtitled this book "All You Ever Wanted To Know about ...Sample Preparation". Although its principal thrust is geared towards the analytical chemist in an X-ray diffraction (XRD) or X-ray fluorescence (XRF) service laboratory, this text will be of use primarily as a reference source in all milieus dealing with undergraduate research projects and advanced laboratory courses in physical and analytical chemistry. It contains dozens of suggestions for preparing randomly oriented small samples of nearly anything. For example, rocks and minerals, soft organics and hard ceramics, radioactive and liquid materials, metals and oils are all treated. As the availability of XRD and XRF equipment has increased, so has the use of these techniques in the teaching schedule. Many undergraduate laboratory and research projects utilizing these methods have been described in the literature and are found in laboratory textbooks. Very often, especially with the increasingly common use of automated computer-controlled instrumentation, sample preparation has become the key experimental technique required for successful data collection. However, it is not always easy to prepare the statistically random distribution of small particles (crystallites) that is required by these methods. A multitude of techniques have been developed over the past 70 years, but many of them have been handed down by word of mouth or are scattered throughout the literature. This book represents an attempt to systematically describe the theory and practice of sample preparation. This excellent guide to the intricacies of sample preparation begins with a description of statistical sampling methods and the principles of grinding techniques. After a discussion of XRF specimen preparation, which includes pressing pellets, fusion methods, crucible selection and handling very small samples, detailed descriptions for handling rocks, minerals, cements, metals, oils, and vegetation [sic] are given. The preparation of XRD samples is described for various diffraction equipment geometries (utilizing both counter and film detectors), including specific information regarding the use of flat specimens and slurries, the use of internal standards, and the effects of crystallite size on the diffraction pattern. Methods for handling ceramics, clays, zeolites, air-sensitive samples, thin films, and plastics are described, along with the special handling requirements for materials to be studied by high-pressure, high-temperature, or low-temperature techniques. One whole chapter is devoted to the equipment used in specimen preparation, including grinders, pulverizers, presses, specimen holders, repair of platinumware, and sources of all types of special equipment. Did you ever want to know where to get a Plattner steel mortar or a micronizing mill or soft-glass capillary tubes with 0.01-mm wall thickness? It's all here in this monograph. The book ends with a good glossary of terms, a general bibliography in addition to the extensive list of references following each of its 9 chapters, and an index. It will be of help in many areas of spectroscopy and analytical chemistry, as well as in XRD and XRF analyses.

Growth and magnetoelectric properties of (00l)-oriented La{sub 0.67}Sr{sub 0.33}MnO{sub 3}/PbZr{sub 0.52}Ti{sub 0.48}O{sub 3} heterostructure films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Fuxue, E-mail: yanfuxue@126.com; Han, Kai, E-

2017-02-15

C-axis oriented La{sub 0.67}Sr{sub 0.33}MnO{sub 3}(LSMO)/PbZr{sub 0.52}Ti{sub 0.48}O{sub 3}(PZT) films are fabricated successfully by sol-gel method on LaAlO{sub 3} (00l) substrates. The structure, composition and morphology of the films are investigated by X-ray diffractometer (XRD, θ-2θ scan, ω-scan and ϕ-scan), X-ray photoelectron spectroscope (XPS), field emission scanning electron microscope (FESEM) and high resolution transmission electron microscope (HRTEM). The electric and magnetic properties of randomly and c-axis oriented LSMO/PZT films are studied comparably using ferroelectric testing apparatus and physical property measurement system (PPMS). It is found that the epitaxial LSMO/PZT composite films show well controlled growth along c-axis, and much bettermore » magnetoelectric properties than the randomly oriented ones. The ME voltage coefficient increases from 23 mV cm{sup −1} Oe{sup −1} for the randomly oriented LSMO/PZT composite films to 52 mV cm{sup −1} Oe{sup −1} for c-axis oriented ones prepared using the low cost sol-gel method presented in this study, which shows high potential in promising applications. - Highlights: •Epitaxial LSMO/PZT films were fabricated successfully by sol-gel method on LAO (00l) substrate. •The prepared films exhibit well-defined multiferroic properties for the epitaxial LSMO/PZT films. •Epitaxial LSMO/PZT films show superior magnetoelectric properties to the randomly oriented ones.« less

Scattering by randomly oriented ellipsoids: Application to aerosol and cloud problems

NASA Technical Reports Server (NTRS)

Asano, S.; Sato, M.; Hansen, J. E.

1979-01-01

A program was developed for computing the scattering and absorption by arbitrarily oriented and randomly oriented prolate and oblate spheroids. This permits examination of the effect of particle shape for cases ranging from needles through spheres to platelets. Applications of this capability to aerosol and cloud problems are discussed. Initial results suggest that the effect of nonspherical particle shape on transfer of radiation through aerosol layers and cirrus clouds, as required for many climate studies, can be readily accounted for by defining an appropriate effective spherical particle radius.

Detrital illite crystals identified from crystallite thickness measurements in siliciclastic sediments

USGS Publications Warehouse

Aldega, L.; Eberl, D.D.

2005-01-01

Illite crystals in siliciclastic sediments are heterogeneous assemblages of detrital material coming from various source rocks and, at paleotemperatures >70 ??C, of superimposed diagenetic modification in the parent sediment. We distinguished the relative proportions of 2M1 detrital illite and possible diagenetic 1Md + 1M illite by a combined analysis of crystal-size distribution and illite polytype quantification. We found that the proportions of 1Md + 1M and 2M1 illite could be determined from crystallite thickness measurements (BWA method, using the MudMaster program) by unmixing measured crystallite thickness distributions using theoretical and calculated log-normal and/or asymptotic distributions. The end-member components that we used to unmix the measured distributions were three asymptotic-shaped distributions (assumed to be the diagenetic component of the mixture, the 1Md + 1M polytypes) calculated using the Galoper program (Phase A was simulated using 500 crystals per cycle of nucleation and growth, Phase B = 333/cycle, and Phase C = 250/ cycle), and one theoretical log-normal distribution (Phase D, assumed to approximate the detrital 2M1 component of the mixture). In addition, quantitative polytype analysis was carried out using the RockJock software for comparison. The two techniques gave comparable results (r2 = 0.93), which indicates that the unmixing method permits one to calculate the proportion of illite polytypes and, therefore, the proportion of 2M1 detrital illite, from crystallite thickness measurements. The overall illite crystallite thicknesses in the samples were found to be a function of the relative proportions of thick 2M1 and thin 1Md + 1M illite. The percentage of illite layers in I-S mixed layers correlates with the mean crystallite thickness of the 1Md + 1M polytypes, indicating that these polytypes, rather than the 2M1 polytype, participate in I-S mixed layering.

Structural and optical characterization of ZnO/Mg(x)Zn(1-x)O multiple quantum wells based random laser diodes.

PubMed

Jiang, Qike; Zheng, He; Wang, Jianbo; Long, Hao; Fang, Guojia

2012-12-01

Two kinds of laser diodes (LDs) comprised of ZnO/Mg(x)Zn(1-x)O (ZnO/MZO) multiple quantum wells (MQWs) grown on GaN (MQWs/GaN) and Si (MQWs/Si) substrates, respectively, have been constructed. The LD with MQWs/GaN exhibits ultraviolet random lasing under electrical excitation, while that with MQWs/Si does not. In the MQWs/Si, ZnO/MZO MQWs consist of nanoscaled crystallites, and the MZO layers undergo a phase separation of cubic MgO and hexagonal ZnO. Moreover, the Mg atom predominantly locates in the MZO layers along with a significant aggregation at the ZnO/MZO interfaces; in sharp contrast, the ZnO/MZO MQWs in the MQWs/GaN show a well-crystallized structure with epitaxial relationships among GaN, MZO, and ZnO. Notably, Mg is observed to diffuse into the ZnO well layers. The structure-optical property relationship of these two LDs is further discussed.

Dental caries detection by optical spectroscopy: a polarized Raman approach with fibre-optic coupling

NASA Astrophysics Data System (ADS)

Ko, A. C.-T.; Choo-Smith, L.-P.; Werner, J.; Hewko, M.; Sowa, M. G.; Dong, C.; Cleghorn, B.

2006-09-01

Incipient dental caries lesions appear as white spots on the tooth surface; however, accurate detection of early approximal lesions is difficult due to limited sensitivity of dental radiography and other traditional diagnostic tools. A new fibre-optic coupled spectroscopic method based on polarized Raman spectroscopy (P-RS) with near-IR laser excitation is introduced which provides contrast for detecting and characterizing incipient caries. Changes in polarized Raman spectra are observed in PO 4 3- vibrations arising from hydroxyapatite of mineralized tooth tissue. Demineralization-induced morphological/orientational alteration of enamel crystallites is believed to be responsible for the reduction of Raman polarization anisotropy observed in the polarized Raman spectra of caries lesions. Supporting evidence obtained by polarized Raman spectral imaging is presented. A specially designed fibre-optic coupled setup for simultaneous measurement of parallel- and cross-polarized tooth Raman spectra is demonstrated in this study.

Effects of Annealing Temperature on Properties of Ti-Ga-Doped ZnO Films Deposited on Flexible Substrates.

PubMed

Chen, Tao-Hsing; Chen, Ting-You

2015-11-03

An investigation is performed into the optical, electrical, and microstructural properties of Ti-Ga-doped ZnO films deposited on polyimide (PI) flexible substrates and then annealed at temperatures of 300 °C, 400 °C, and 450 °C, respectively. The X-ray diffraction (XRD) analysis results show that all of the films have a strong (002) Ga doped ZnO (GZO) preferential orientation. As the annealing temperature is increased to 400 °C, the optical transmittance increases and the electrical resistivity decreases. However, as the temperature is further increased to 450 °C, the transmittance reduces and the resistivity increases due to a carbonization of the PI substrate. Finally, the crystallinity of the ZnO film improves with an increasing annealing temperature only up to 400 °C and is accompanied by a smaller crystallite size and a lower surface roughness.

Application of NIR Raman spectroscopy for detecting and characterizing early dental caries

NASA Astrophysics Data System (ADS)

Ko, A. C.; Choo-Smith, L.-P.; Zhu, R.; Hewko, M.; Dong, C.; Cleghorn, B.; Sowa, M. G.

2006-02-01

Early dental caries detection facilitates implementation of non-surgical methods for arresting caries progression and promoting tooth remineralization. We present a method based on Raman spectroscopy with near-IR laser excitation to provide biochemical contrast for detecting and characterizing incipient carious lesions found in extracted human teeth. Changes in Raman spectra are observed in PO 4 3- vibrations arising from hydroxyapatite of mineralized tooth tissue. Examination of various intensities of the PO 4 3- ν2, ν3, ν4 vibrations showed consistent increased intensities in spectra of carious lesions compared to sound enamel. The spectral changes are attributed to demineralization-induced alterations of enamel crystallite morphology and/or orientation. This hypothesis is supported by reduced Raman polarization anisotropy derived from polarized Raman spectra of carious lesions. Polarized Raman spectral imaging of carious lesions found on whole (i.e. un-sectioned) tooth samples will also be presented.

Studies on modification of ZnO sol-gel spin coated on flexible substrate at low temperature: Effect of time exposure

NASA Astrophysics Data System (ADS)

Kamardin, Ili Liyana Khairunnisa; Ainuddin, Ainun Rahmahwati

2017-04-01

Transparent Conducting Oxide (TCO) Film has been chosen as flexible substrate recently in the application of a device. One of the TCO mostly used is ITO/PET substrates. Through this communication, the effect of time exposure of ZnO thin film by modified sol-gel deposited on flexible substrates was investigated. 0.75 M of NaOH and C6H8O7 were dropped directly into precursor solution right before aging process in order to modified precursor solution environment condition. x-ray diffraction pattern recorded plane (100) and (101) as preferential growth orientation. The (101) plane was selected to calculate the average crystallite. The atomic force microscopy indicated RMS value for NaOH samples increased with time exposure. Meanwhile, for C6H8O7 samples decreased with hot water treatment time exposure.

Effect of deposition parameters on the structural properties of ZnO nanopowders prepared by microwave-assisted hydrothermal synthesis.

PubMed

Caglar, Yasemin; Gorgun, Kamuran; Aksoy, Seval

2015-03-05

ZnO nanopowders were synthesized via microwave-assisted hydrothermal method at different deposition (microwave irradiation) times and pH values. The effects of pH and deposition (microwave irradiation) time on the crystalline structure and orientation of the ZnO nanopowders have been investigated by X-ray diffraction (XRD) study. XRD observations showed that the crystalline quality of ZnO nanopowders increased with increasing pH value. The crystallite size and texture coefficient values of ZnO nanopowders were calculated. The structural quality of ZnO nanopowder was improved by deposition parameters. Field emission scanning electron microscope (FESEM) was used to analyze the surface morphology of the ZnO nanopowders. Microwave irradiation time and pH value showed a significant effect on the surface morphology. Copyright © 2014 Elsevier B.V. All rights reserved.

Structural analysis of nanocrystalline ZnTe alloys synthesized by melt quenching technique

NASA Astrophysics Data System (ADS)

Singh, Harinder; Singh, Tejbir; Thakur, Anup; Sharma, Jeewan

2018-05-01

Nanocrystalline ZnxTe100-x (x=0, 5, 20, 30, 40, 50) alloys have been synthesized using melt quenching technique. Energy-dispersive X-Ray spectroscopy (EDS) has been used to verify the elemental composition of samples. Various absorption modes are recorded from Fourier transform infrared spectroscopy (FTIR) confirming the formation of ZnTe. The structural study has been performed using X-Ray Diffraction (XRD) method. All synthesized samples have been found to be nanocrystalline in nature with average crystallite size in the range from 49.3 nm to 77.1 nm. Results have shown that Zn0Te100 exhibits hexagonal phase that transforms into a cubic ZnTe phase as the amount of zinc is increased. Pure ZnTe phase has been obtained for x = 50. The texture coefficient (Tc) has been calculated to find the prominent orientations of different planes.

Electron microscopy observation of TiO2 nanocrystal evolution in high-temperature atomic layer deposition.

PubMed

Shi, Jian; Li, Zhaodong; Kvit, Alexander; Krylyuk, Sergiy; Davydov, Albert V; Wang, Xudong

2013-01-01

Understanding the evolution of amorphous and crystalline phases during atomic layer deposition (ALD) is essential for creating high quality dielectrics, multifunctional films/coatings, and predictable surface functionalization. Through comprehensive atomistic electron microscopy study of ALD TiO2 nanostructures at designed growth cycles, we revealed the transformation process and sequence of atom arrangement during TiO2 ALD growth. Evolution of TiO2 nanostructures in ALD was found following a path from amorphous layers to amorphous particles to metastable crystallites and ultimately to stable crystalline forms. Such a phase evolution is a manifestation of the Ostwald-Lussac Law, which governs the advent sequence and amount ratio of different phases in high-temperature TiO2 ALD nanostructures. The amorphous-crystalline mixture also enables a unique anisotropic crystal growth behavior at high temperature forming TiO2 nanorods via the principle of vapor-phase oriented attachment.

A study on micro-structural and optical parameters of InxSe1-x thin film

NASA Astrophysics Data System (ADS)

Patel, P. B.; Desai, H. N.; Dhimmar, J. M.; Modi, B. P.

2018-04-01

Thin film of Indium Selenide (InSe) has been deposited by thermal evaporation technique onto pre cleaned glass substrate under high vacuum condition. The micro-structural and optical properties of InxSe1-x (x = 0.6, 1-x = 0.4) thin film have been characterized by X-ray diffractrometer (XRD) and UV-Visible spectrophotometer. The XRD spectra showed that InSe thin film has single phase hexagonal structure with preferred orientation along (1 1 0) direction. The micro-structural parameters (crystallite size, lattice strain, dislocation density, domain population) for InSe thin film have been calculated using XRD spectra. The optical parameters (absorption, transmittance, reflectance, energy band gap, Urbach energy) of InSe thin film have been evaluated from absorption spectra. The direct energy band gap and Urbach energy of InSe thin film is found to be 1.90 eV and 235 meV respectively.

Substrate temperature effect on structural and optical properties of Bi2Te3 thin films

NASA Astrophysics Data System (ADS)

Jariwala, B. S.; Shah, D. V.; Kheraj, Vipul

2012-06-01

Structural and optical properties of Bi2Te3 thin films, thermally evaporated on well-cleaned glass substrates at different substrate temperatures, are reported here. X-ray diffraction was carried out for the structural characterization. XRD patterns of the films exhibit preferential orientation along the [0 1 5] direction for the films deposited at all the substrate temperatures together with other supported planes [2 0 5] & [1 1 0]. All other deposition conditions like thickness, deposition rate and pressure were maintained same throughout the experiment. X-ray diffraction lines confirm that the grown films are polycrystalline in nature with hexagonal crystal structure. The effect of substrate temperature on lattice constants, grain size, micro strain, number of crystallites and dislocation density have been investigated and reported in this paper. Also the substrate temperature effect on the optical property has been also investigated using the FTIR spectroscopy.

Texture analysis of Napoleonic War Era copper bolts

NASA Astrophysics Data System (ADS)

Malamud, Florencia; Northover, Shirley; James, Jon; Northover, Peter; Kelleher, Joe

2016-04-01

Neutron diffraction techniques are suitable for volume texture analyses due to high penetration of thermal neutrons in most materials. We have implemented a new data analysis methodology that employed the spatial resolution achievable by a time-of-flight neutron strain scanner to non-destructively determine the crystallographic texture at selected locations within a macroscopic sample. The method is based on defining the orientation distribution function of the crystallites from several incomplete pole figures, and it has been implemented on ENGIN-X, a neutron strain scanner at the Isis Facility in the UK. Here, we demonstrate the application of this new texture analysis methodology in determining the crystallographic texture at selected locations within museum quality archaeological objects up to 1 m in length. The results were verified using samples of similar, but less valuable, objects by comparing the results of applying this method with those obtained using both electron backscatter diffraction and X-ray diffraction on their cross sections.

Nanoscale arrays of antimony telluride single crystals by selective chemical vapor deposition

PubMed Central

Huang, Ruomeng; Benjamin, Sophie L.; Gurnani, Chitra; Wang, Yudong; Hector, Andrew L.; Levason, William; Reid, Gillian; De Groot, C. H. (Kees)

2016-01-01

Arrays of individual single nanocrystals of Sb2Te3 have been formed using selective chemical vapor deposition (CVD) from a single source precursor. Crystals are self-assembled reproducibly in confined spaces of 100 nm diameter with pitch down to 500 nm. The distribution of crystallite sizes across the arrays is very narrow (standard deviation of 15%) and is affected by both the hole diameter and the array pitch. The preferred growth of the crystals in the <1 1 0> orientation along the diagonal of the square holes strongly indicates that the diffusion of adatoms results in a near thermodynamic equilibrium growth mechanism of the nuclei. A clear relationship between electrical resistivity and selectivity is established across a range of metal selenides and tellurides, showing that conductive materials result in more selective growth and suggesting that electron donation is of critical importance for selective deposition. PMID:27283116

Pseudorotational epitaxy of self-assembled octadecyltrichlorosilane monolayers on sapphire (0001)

DOE PAGES

Steinrück, H. -G.; Magerl, A.; Deutsch, M.; ...

2014-10-06

The structure of octadecyltrichlorosilane self-assembled monolayers (SAMs) on sapphire (0001) was studied by Å-resolution surface-specific x-ray scattering methods. The monolayer was found to consist of three sublayers where the outermost layer corresponds to vertically oriented, closely packed alkyl tails. Laterally, the monolayer is hexagonally packed and exhibits pseudorotational epitaxy to the sapphire, manifested by a broad scattering peak at zero relative azimuthal rotation, with long powderlike tails. The lattice mismatch of ~1% – 3% to the sapphire’s and the different length scale introduced by the lateral Si-O-Si bonding prohibit positional epitaxy. However, the substrate induces an intriguing increase in themore » crystalline coherence length of the SAM’s powderlike crystallites when rotationally aligned with the sapphire’s lattice. As a result, the increase correlates well with the rotational dependence of the separation of corresponding substrate-monolayer lattice sites.« less

Children's Engagement and Competence in Personal Recollection: Effects of Parents' Reminiscing Goals

ERIC Educational Resources Information Center

Cleveland, Emily Sutcliffe; Reese, Elaine; Grolnick, Wendy S.

2007-01-01

Parents' goal orientations in parent-child reminiscing were examined in this study, where 28 preschoolers (mean age = 46 months) experienced a standardized event. Dyads discussed the event that evening, with parents randomly assigned to either an "outcome-oriented" or a "process-oriented" condition. Outcome-oriented parents, who were told that…

Modeling and Predicting the Stress Relaxation of Composites with Short and Randomly Oriented Fibers

PubMed Central

Obaid, Numaira; Sain, Mohini

2017-01-01

The addition of short fibers has been experimentally observed to slow the stress relaxation of viscoelastic polymers, producing a change in the relaxation time constant. Our recent study attributed this effect of fibers on stress relaxation behavior to the interfacial shear stress transfer at the fiber-matrix interface. This model explained the effect of fiber addition on stress relaxation without the need to postulate structural changes at the interface. In our previous study, we developed an analytical model for the effect of fully aligned short fibers, and the model predictions were successfully compared to finite element simulations. However, in most industrial applications of short-fiber composites, fibers are not aligned, and hence it is necessary to examine the time dependence of viscoelastic polymers containing randomly oriented short fibers. In this study, we propose an analytical model to predict the stress relaxation behavior of short-fiber composites where the fibers are randomly oriented. The model predictions were compared to results obtained from Monte Carlo finite element simulations, and good agreement between the two was observed. The analytical model provides an excellent tool to accurately predict the stress relaxation behavior of randomly oriented short-fiber composites. PMID:29053601

Face perception is tuned to horizontal orientation in the N170 time window.

PubMed

Jacques, Corentin; Schiltz, Christine; Goffaux, Valerie

2014-02-07

The specificity of face perception is thought to reside both in its dramatic vulnerability to picture-plane inversion and its strong reliance on horizontally oriented image content. Here we asked when in the visual processing stream face-specific perception is tuned to horizontal information. We measured the behavioral performance and scalp event-related potentials (ERP) when participants viewed upright and inverted images of faces and cars (and natural scenes) that were phase-randomized in a narrow orientation band centered either on vertical or horizontal orientation. For faces, the magnitude of the inversion effect (IE) on behavioral discrimination performance was significantly reduced for horizontally randomized compared to vertically or nonrandomized images, confirming the importance of horizontal information for the recruitment of face-specific processing. Inversion affected the processing of nonrandomized and vertically randomized faces early, in the N170 time window. In contrast, the magnitude of the N170 IE was much smaller for horizontally randomized faces. The present research indicates that the early face-specific neural representations are preferentially tuned to horizontal information and offers new perspectives for a description of the visual information feeding face-specific perception.

X-ray peak profile analysis of zinc oxide nanoparticles formed by simple precipitation method

NASA Astrophysics Data System (ADS)

Pelicano, Christian Mark; Rapadas, Nick Joaquin; Magdaluyo, Eduardo

2017-12-01

Zinc oxide (ZnO) nanoparticles were successfully synthesized by a simple precipitation method using zinc acetate and tetramethylammonium hydroxide. The synthesized ZnO nanoparticles were characterized by X-ray Diffraction analysis (XRD) and Transmission Electron Microscopy (TEM). The XRD result revealed a hexagonal wurtzite structure for the ZnO nanoparticles. The TEM image showed spherical nanoparticles with an average crystallite size of 6.70 nm. For x-ray peak analysis, Williamson-Hall (W-H) and Size-Strain Plot (SSP) methods were applied to examine the effects of crystallite size and lattice strain on the peak broadening of the ZnO nanoparticles. Based on the calculations, the estimated crystallite sizes and lattice strains obtained are in good agreement with each other.

Synthesis and structural characterization of transition metal doped MgO: Mg0.95Mn0.01TM0.04O (TM = Co, Ni, Cu)

NASA Astrophysics Data System (ADS)

Islam, Ishtihadah; Khandy, Shakeel Ahmad; Hafiz, Aurangzeb Khurram

2018-05-01

In the present work, preparation and characterization of transition metal doped MgO: Zn0.94Mn0.01TM0.05O (TM = Co, Ni and Cu) nano-particles have been reported. Transition metal doped samples of MgO were synthesized by Sol gel auto combustion method. Structural characterisation from XRD and SEM show the formation of single-phase primary particles, nearly of spherical shaped nano-crystallites. The crystallite size was found to be 78.2, 67.02, 78.11 and 64 nm for pure, Co, Cu and Ni doped MgMnO nano-particles, respectively. Hence, the average crystallite size increases monotonously from Co to Cu doping.

Effect of X-ray Line Spectra Profile Fitting with Pearson VII, Pseudo-Voigt and Generalized Fermi Functions on Asphalt Binder Aromaticity and Crystallite Parameters

NASA Astrophysics Data System (ADS)

Gebresellasie, K.; Shirokoff, J.; Lewis, J. C.

2012-12-01

X-ray line spectra profile fitting using Pearson VII, pseudo-Voigt and generalized Fermi functions was performed on asphalt binders prior to the calculation of aromaticity and crystallite size parameters. The effects of these functions on the results are presented and discussed in terms of the peak profile fit parameters, the uncertainties in calculated values that can arise owing to peak shape, peak features in the pattern and crystallite size according to the asphalt models (Yen, modified Yen or Yen-Mullins) and theories. Interpretation of these results is important in terms of evaluating the performance of asphalt binders widely used in the application of transportation systems (roads, highways, airports).

A Systematic Study on Tooth Enamel Microstructures of Lambdopsalis bulla (Multituberculate, Mammalia) - Implications for Multituberculate Biology and Phylogeny

PubMed Central

Mao, Fangyuan; Wang, Yuanqing; Meng, Jin

2015-01-01

Tooth enamel microstructure is a reliable and widely used indicator of dietary interpretations and data for phylogenetic reconstruction, if all levels of variability are investigated. It is usually difficult to have a thorough examination at all levels of enamel structures for any mammals, especially for the early mammals, which are commonly represented by sparse specimens. Because of the random preservation of specimens, enamel microstructures from different teeth in various species are often compared. There are few examples that convincingly show intraspecific variation of tooth enamel microstructure in full dentition of a species, including multituberculates. Here we present a systematic survey of tooth enamel microstructures of Lambdopsalis bulla, a taeniolabidoid multituberculate from the Late Paleocene Nomogen Formation, Inner Mongolia. We examined enamel structures at all hierarchical levels. The samples are treated differently in section orientations and acid preparation and examined using different imaging methods. The results show that, except for preparation artifacts, the crystallites, enamel types, Schmelzmuster and dentition types of Lambdopsalis are relatively consistent in all permanent teeth, but the prism type, including the prism shape, size and density, may vary in different portions of a single tooth or among different teeth of an individual animal. The most common Schmelzmuster of the permanent teeth in Lambdopsalis is a combination of radial enamel in the inner and middle layers, aprismatic enamel in the outer layer, and irregular decussations in tooth crown area with great curvature. The prism seam is another comparably stable characteristic that may be a useful feature for multituberculate taxonomy. The systematic documentation of enamel structures in Lambdopsalis may be generalized for the enamel microstructure study, and thus for taxonomy and phylogenetic reconstruction, of multituberculates and even informative for the enamel study of other early mammals. PMID:26020958

Influence of metal work function and incorporation of Sr atom on WO3 thin films for MIS and MIM structured SBDs

NASA Astrophysics Data System (ADS)

Marnadu, R.; Chandrasekaran, J.; Raja, M.; Balaji, M.; Maruthamuthu, S.; Balraju, P.

2018-07-01

In this work, two different structure of Cu/Sr-WO3/p-Si metal-insulator-semiconductor (MIS) and Cu/Sr-WO3/FTO metal-insulator-metal (MIM) Schottky barrier diodes (SBDs) fabricated with an insulating layer of pure tungsten trioxide (WO3) and Sr-WO3 thin films have been reported. The Sr-WO3 layer was coated separately, with different concentrations (0, 4, 8 and 12 wt %) of strontium (Sr) via jet nebulizer spray pyrolysis technique (JNSP) on the p-type silica wafer (p-Si) and fluorine doped tin oxide (FTO) substrates which are been optimized at 400 °C. The XRD analysis reveals the multiphase crystalline structures for 12 wt % of Sr-WO3 film with higher average crystallite size. FE-SEM images show the randomly oriented sub-microsized slab and seashell like structures. Higher surface roughness with improved grain size for 12 wt % of Sr-WO3 film. The presence of W, O and Sr atoms was confirmed by EDX spectra. In optical studies, Maximum absorption with minimum optical band gap was observed for 12 wt % of Sr-WO3 composite film. There was a linear increase in the electrical conductivity of the films with higher wt. % of Sr. Evidently the activation energy decreased with Sr concentration which is in accordance with the bandgap values. The fitting results of the measured I-V, reveal that MIS (SBDs) under illumination condition have minimum ideality factor (n = 2.39) and maximum barrier height (Φb = 0.57) values for higher concentration (12 wt %) of Sr film compared to MIM SBDs.

Oxidative precipitation of ruthenium oxide for supercapacitors: Enhanced capacitive performances by adding cetyltrimethylammonium bromide

NASA Astrophysics Data System (ADS)

Chen, I.-Li; Wei, Yu-Chen; Chen, Tsan-Yao; Hu, Chi-Chang; Lin, Tsang-Lang

2014-12-01

Thermally stable and porous RuO2·xH2O with superior rate-retention capability is prepared by the H2O2-oxidative precipitation method modified with the cetyltrimethylammonium bromide (CTAB) template. The specific capacitance and rate-retention of RuO2·xH2O are considerably enhanced by the CTAB modification and annealing at 200 °C because of extremely localized crystallization and pore opening of slightly sintered RuO2·xH2O nanoparticles trapped with CTAB. This unique structure, confirmed by the X-ray absorption spectroscopic (XAS), Raman spectroscopic, and transmission electron microscopic (TEM) analyses, favors the utilization of RuO2·xH2O nanocrystals and increases the electrolyte accessibility in comparing with RuO2·xH2O without CTAB modification. The preferential orientation growth along the {101} facet of RuO2 nanocrystals in some local regions is acquired by the CTAB modification and annealing in air at temperatures ≥350 °C. Such preferential orientation growth of RuO2 crystallites is attributable to the oxidation of trapped surfactants during the thermal annealing process, which adsorb on the high surface energy planes of RuO2.

Liquid crystal based optical platform for the detection of Pb2+ ions using NiFe2O4 nanoparticles

NASA Astrophysics Data System (ADS)

Zehra, Saman; Gul, Iftikhar Hussain; Hussain, Zakir

2018-06-01

A simple, sensitive, selective and real time detection protocol was developed for Pb2+ ions in water using liquid crystals (LCs). In this method, NiFe2O4 nanoparticles were synthesized using chemical co-precipitation method. Crystallite size, morphological, functional groups and magnetization studies were confirmed using X-ray diffraction, Scanning Electron Microscopy, and Fourier transform infrared spectroscopy techniques, respectively. The nanoparticles were mono dispersed with average particle size of 20 ± 2 nm. The surfactant stabilized magnetic nanoparticles were incubated in liquid crystal based sensor system for the detection of Pb+2 ions. The bright to dark transition of LC was observed through optical microscope. When this system was further immersed with a solution containing Pb2+ ions, it caused homeotropic to planar orientation of LC. This interaction is attributed to the presence of abundant hydroxyl groups in such as M-OH, Fe-OH on the surface of spinel ferrites nanoparticles. These groups interact with metal ions at aqueous interface, causing disruption in LCs orientation giving bright texture. This sensor showed higher selectivity towards Pb2+ ions. The detection limit was estimated to be 100 ppb. The cheap and effective protocol reported here should make promising development of LC based sensor for lead ion detection.

Flake Orientation Effects On Physical and Mechanical Properties of Sweetgum Flakeboard

Treesearch

T.F. Shupe; Chung-Yun Hse; E.W. Price

2001-01-01

Research was initiated to determine the effect of flake orientation on the physical and mechanical properties offlakeboard. The panel fabrication techniques investigated were single-layer panels with random and oriented flake distribution, three-layer, five-layer, and seven-layer panels. Single-layer oriented panels had panel directional property ratios of 11.8 and 12....

Template-free preparation of crystalline Ge nanowire film electrodes via an electrochemical liquid-liquid-solid process in water at ambient pressure and temperature for energy storage.

PubMed

Gu, Junsi; Collins, Sean M; Carim, Azhar I; Hao, Xiaoguang; Bartlett, Bart M; Maldonado, Stephen

2012-09-12

The direct electrodeposition of crystalline germanium (Ge) nanowire film electrodes from an aqueous solution of dissolved GeO(2) using discrete 'flux' nanoparticles capable of dissolving Ge(s) has been demonstrated. Electrodeposition of Ge at inert electrode substrates decorated with small (<100 nm), discrete indium (In) nanoparticles resulted in crystalline Ge nanowire films with definable nanowire diameters and densities without the need for a physical or chemical template. The Ge nanowires exhibited strong polycrystalline character as-deposited, with approximate crystallite dimensions of 20 nm and a mixed orientation of the crystallites along the length of the nanowire. Energy dispersive spectroscopic elemental mapping of individual Ge nanowires showed that the In nanoparticles remained at the base of each nanowire, indicating good electrical communication between the Ge nanowire and the underlying conductive support. As-deposited Ge nanowire films prepared on Cu supports were used without further processing as Li(+) battery anodes. Cycling studies performed at 1 C (1624 mA g(-1)) indicated the native Ge nanowire films supported stable discharge capacities at the level of 973 mA h g(-1), higher than analogous Ge nanowire film electrodes prepared through an energy-intensive vapor-liquid-solid nanowire growth process. The cumulative data show that ec-LLS is a viable method for directly preparing a functional, high-activity nanomaterials-based device component. The work presented here is a step toward the realization of simple processes that make fully functional energy conversion/storage technologies based on crystalline inorganic semiconductors entirely through benchtop, aqueous chemistry and electrochemistry without time- or energy-intensive process steps.

Scattering from randomly oriented circular discs with application to vegetation

NASA Technical Reports Server (NTRS)

Karam, M. A.; Fung, A. K.

1984-01-01

A vegetation layer is modeled by a collection of randomly oriented circular discs over a half space. The backscattering coefficient from such a half space is computed using the radiative transfer theory. It is shown that significantly different results are obtained from this theory as compared with some earlier investigations using the same modeling approach but with restricted disc orientations. In particular, the backscattered cross polarized returns cannot have a fast increasing angular trend which is inconsistent with measurements. By setting the appropriate angle of orientation to zero the theory reduces to previously published results. Comparisons are shown with measurements taken from milo, corn and wheat and good agreements are obtained for both polarized and cross polarized returns.

Scattering from randomly oriented circular discs with application to vegetation

NASA Technical Reports Server (NTRS)

Karam, M. A.; Fung, A. K.

1983-01-01

A vegetation layer is modeled by a collection of randomly oriented circular discs over a half space. The backscattering coefficient from such a half space is computed using the radiative transfer theory. It is shown that significantly different results are obtained from this theory as compared with some earlier investigations using the same modeling approach but with restricted disc orientations. In particular, the backscattered cross-polarized returns cannot have a fast increasing angular trend which is inconsistent with measurements. By setting the appropriate angle of orientation to zero the theory reduces to previously published results. Comparisons are shown with measurements taken from milo, corn and wheat and good agreements are obtained for both polarized and cross-polarized returns.

Molecular dynamics simulations of steady-state crystal growth and homogeneous nucleation in polyethylene-like polymer

NASA Astrophysics Data System (ADS)

Yamamoto, Takashi

2008-11-01

Molecular mechanisms of crystal growth and homogeneous nucleation from the melt of polyethylene-like linear polymer are investigated by molecular dynamics simulations. The present paper is aimed at extending our previous work with respect to the system size and the boundary condition, thereby enabling detailed studies on the structures of sufficiently large lamellae and fully equilibrated melt. Lamellae of uniform thickness but with marked tapered edges are found to grow at constant velocity from the substrate. Three-dimensional shape of the growing lamellae exhibits peculiar undulation at the growth front, the origin of which is suggested to be the inhomogeneous thickness distribution within the lamellae. Trajectories of chains crystallizing onto the growth front reveal an unexpected pathway for chain folding, where a partially attached chain stem forms a new fold by plunging its head back into a neighboring stem position through slithering snake motions of the chain. Detailed statistics of folds and cilia show that the folds are rather neat and mostly make re-entries into the nearest or the second or third nearest neighboring stem positions, whereas the cilia are generally short but with a small number of longer cilia forming thick amorphous layers. Structure of supercooled melt investigated versus temperature reveals that, at moderate degree of supercooling, the overall chain conformation remains Gaussian random coil but the persistent length of chains increases monotonically with increasing supercooling. Exceptions are at the largest supercooling where homogeneous nucleation takes place; usual melt structure becomes rapidly unstable and emerges many crystallites of random orientations. During early 10-20ns after the quench, density of melt, radius of gyration of chains, and fraction of kinked bonds show marked alterations. These structural changes are highly cooperative and are considered simply due to the emergence of many embryonic crystals in the melt. Conformations of the chains forming nuclei are also traced to reveal that the homogeneous nuclei are fringed micelle like aggregates of chains, but the chains as a whole have folded conformations, which are similar to those reported in previous simulations on a single polyethylene in a vacuum.

Anomalous behavior of B{sub 1g} mode in highly transparent anatase nano-crystalline Nb-doped Titanium Dioxide (NTO) thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gautam, Subodh K., E-mail: subodhkgtm@gmail.com, E-mail: fouran@gmail.com; Ojha, S.; Singh, Fouran, E-mail: subodhkgtm@gmail.com, E-mail: fouran@gmail.com

2015-12-15

The effect of Niobium doping and size of crystallites on highly transparent nano-crystalline Niobium doped Titanium Dioxide (NTO) thin films with stable anatase phase are reported. The Nb doping concentration is varied within the solubility limit in TiO{sub 2} lattice. Films were annealed in controlled environment for improving the crystallinity and size of crystallites. Elemental and thickness analysis were carried out using Rutherford backscattering spectrometry and cross sectional field emission scanning electron microscopy. Structural characteristics reveal a substitutional incorporation of Nb{sup +5} in the TiO{sub 2} lattice which inhibits the anatase crystallites growth with increasing the doping percentage. The micro-Ramanmore » (MR) spectra of films with small size crystallites shows stiffening of about 4 cm{sup −1} for the E{sub g(1)} mode and is ascribed to phonon confinement and non-stoichiometry. In contrast, B{sub 1g} mode exhibits a large anomalous softening of 20 cm{sup −1} with asymmetrical broadening; which was not reported for the case of pure TiO{sub 2} crystallites. This anomalous behaviour is explained by contraction of the apical Ti-O bonds at the surface upon substitutional Nb{sup 5+} doping induced reduction of Ti{sup 4+} ions also known as hetero-coordination effect. The proposed hypotheses is manifested through studying the electronic structure and phonon dynamics by performing the near edge x-ray absorption fine structure (NEXAFS) and temperature dependent MR down to liquid nitrogen temperature on pure and 2.5 at.% doped NTO films, respectively.« less

Structure and morphology evolution of silica-modified pseudoboehmite aerogels during heat treatment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pakharukova, V.P., E-mail: verapakh@catalysis.ru; Novosibirsk State University, Pirogova Street 2, 630090 Novosibirsk; Research and Educational Center for Energy Efficient Catalysis, Novosibirsk State University, Novosibirsk 630090

Silica-modified pseudoboehmite aerogels (0, 10, 20 at% of Si) were prepared by sol–gel method followed by supercritical drying. The phase transformations, changes in structure and morphology upon calcination were thoroughly investigated by advanced X-Ray diffraction (XRD) techniques and high-resolution transmission electron microscopy (HRTEM). Obtained pseudoboehmite samples had specific nanostructure: ultrathin two-dimensional (2D) crystallites were loosely packed. The silica dopant drastically enhanced the crystallite anisotropy. Thus, the aerogel with Al:Si atomic ratio of 9:1 consisted of the pseudoboehmite nanosheets with thickness of one unit cell (average dimensions of 14.0×1.2×14.5 nm). The specific nanostructure caused remarkable features of experimental XRD patterns, includingmore » anisotropic peak broadening and appearance of forbidden reflection. Direct simulation of XRD patterns with using the Debye Scattering Equation allowed the size and morphology of pseudoboehmite crystallites to be determined. The silica addition strongly delayed formation of γ-alumina and further phase transformations upon calcinaton. Thermal stability of alumina was suggested to be affected by the particle morphology inherited from the pseudoboehmite precursor. - Graphical abstract: Pseudoboehmite samples had specific nanostructure: ultrathin two-dimensional (2D) crystallites were loosely packed. - Highlights: • Silica-doped boehmites were prepared by sol–gel method with supercritical drying. • Ultrathin two-dimensional crystallites of pseudoboehmite were obtained. • Changes in structure and morphology upon calcination were studied. • Simulation of XRD patterns was performed with use of the Debye Scattering Equation. • Thermal stability of alumina depended on morphology inherited from pseudoboehmite.« less

THE CHARACTERIZATION OF A SOLID SORBENT WITH CRYSTALLITE SIZE AND STRAIN DATA FROM X-RAY DIFFRACTION LINE BROADENING

EPA Science Inventory

The paper gives results of the characterization of a solid sorbent with crystallite size and strain data from x-ray diffraction line broadening, as part of an EPA investigation of the injection of dry Ca(OH)2 into coal-fired electric power plant burners for the control of SO2 emi...

Thin Film Research. Volume 1

DTIC Science & Technology

1985-05-30

Order (FECO) ......... 23 3. X -Ray Diffraction ............................... 26 4. Transmission Electron Microscopy (TEM) ............... 26 5...remained amorphous after bombardment, as evidenced by X - ray diffraction, and showed no other changes. 0 (2) For Sb203, the crystallite size was reduced...main effect on MgF2 was the reduction in crystallite size. The films were too thir. for meaningful x - ray diffraction analysis. Durability and

Effect of sample moisture content on XRD-estimated cellulose crystallinity index and crystallite size

Treesearch

Umesh P. Agarwal; Sally A. Ralph; Carlos Baez; Richard S. Reiner; Steve P. Verrill

2017-01-01

Although X-ray diffraction (XRD) has been the most widely used technique to investigate crystallinity index (CrI) and crystallite size (L200) of cellulose materials, there are not many studies that have taken into account the role of sample moisture on these measurements. The present investigation focuses on a variety of celluloses and cellulose...

Have You Been Oriented? An Analysis of New Student Orientation and E-Orientation Programs at U.S. Community Colleges

ERIC Educational Resources Information Center

Chan, Matthew

2017-01-01

This study provides an overview and a snapshot of new student orientation (NSO) and new student e-orientation (NSEO) programs, with a focus on the content and feature analysis of the NSEOs. It offers an overview of currently available NSO programs of 100 randomly selected community colleges from a master list of nearly 900 community colleges in…

Crystal growth in zinc borosilicate glasses

NASA Astrophysics Data System (ADS)

Kullberg, Ana T. G.; Lopes, Andreia A. S.; Veiga, João P. B.; Monteiro, Regina C. C.

2017-01-01

Glass samples with a molar composition (64+x)ZnO-(16-x)B2O3-20SiO2, where x=0 or 1, were successfully synthesized using a melt-quenching technique. Based on differential thermal analysis data, the produced glass samples were submitted to controlled heat-treatments at selected temperatures (610, 615 and 620 °C) during various times ranging from 8 to 30 h. The crystallization of willemite (Zn2SiO4) within the glass matrix was confirmed by means of X-ray diffraction (XRD) and scanning electron microscopy (SEM). Under specific heat-treatment conditions, transparent nanocomposite glass-ceramics were obtained, as confirmed by UV-vis spectroscopy. The influence of temperature, holding time and glass composition on crystal growth was investigated. The mean crystallite size was determined by image analysis on SEM micrographs. The results indicated an increase on the crystallite size and density with time and temperature. The change of crystallite size with time for the heat-treatments at 615 and 620 °C depended on the glass composition. Under fixed heat-treatment conditions, the crystallite density was comparatively higher for the glass composition with higher ZnO content.

Crystallite Size-Lattice Strain Estimation and Optical Properties of Mn0.5Zn0.5Fe2O4 Nanoparticles

NASA Astrophysics Data System (ADS)

Indrayana, I. P. T.; Suharyadi, E.

2018-04-01

In the present work, we performed William-Hall plot using uniform deformation model (UDM) to estimate the crystallite size and lattice strain of Mn0.5Zn0.5Fe2O4 with various calcination temperature. The calculated crystallite sizes are 25.86 nm, 29.55 nm and 24.97 nm for nanoparticles which were calcined at a temperature of 600°C, 800°C and 1000°C, consecutively. The strain of nanoparticles has value in the order of 10-3. Controlling the calcination temperature will facilitate a change in crystallinity of nanoparticles and influence their crystallite size and strain of the crystal lattice. The optical band gap energy of samples nanoparticles is in a range of 1.09 eV – 3.30 eV. Increasing calcination temperature increased the direct and indirect band gap energy. The Urbach energy was found to increase with increased of gap energy. These results demonstrated that higher structural and optical properties of Mn0.5Zn0.5Fe2O4 can be obtained from a higher calcination temperature.

Electromagnetic wave extinction within a forested canopy

NASA Technical Reports Server (NTRS)

Karam, M. A.; Fung, A. K.

1989-01-01

A forested canopy is modeled by a collection of randomly oriented finite-length cylinders shaded by randomly oriented and distributed disk- or needle-shaped leaves. For a plane wave exciting the forested canopy, the extinction coefficient is formulated in terms of the extinction cross sections (ECSs) in the local frame of each forest component and the Eulerian angles of orientation (used to describe the orientation of each component). The ECSs in the local frame for the finite-length cylinders used to model the branches are obtained by using the forward-scattering theorem. ECSs in the local frame for the disk- and needle-shaped leaves are obtained by the summation of the absorption and scattering cross-sections. The behavior of the extinction coefficients with the incidence angle is investigated numerically for both deciduous and coniferous forest. The dependencies of the extinction coefficients on the orientation of the leaves are illustrated numerically.

Random waves in the brain: Symmetries and defect generation in the visual cortex

NASA Astrophysics Data System (ADS)

Schnabel, M.; Kaschube, M.; Löwel, S.; Wolf, F.

2007-06-01

How orientation maps in the visual cortex of the brain develop is a matter of long standing debate. Experimental and theoretical evidence suggests that their development represents an activity-dependent self-organization process. Theoretical analysis [1] exploring this hypothesis predicted that maps at an early developmental stage are realizations of Gaussian random fields exhibiting a rigorous lower bound for their densities of topological defects, called pinwheels. As a consequence, lower pinwheel densities, if observed in adult animals, are predicted to develop through the motion and annihilation of pinwheel pairs. Despite of being valid for a large class of developmental models this result depends on the symmetries of the models and thus of the predicted random field ensembles. In [1] invariance of the orientation map's statistical properties under independent space rotations and orientation shifts was assumed. However, full rotation symmetry appears to be broken by interactions of cortical neurons, e.g. selective couplings between groups of neurons with collinear orientation preferences [2]. A recently proposed new symmetry, called shift-twist symmetry [3], stating that spatial rotations have to occur together with orientation shifts in order to be an appropriate symmetry transformation, is more consistent with this organization. Here we generalize our random field approach to this important symmetry class. We propose a new class of shift-twist symmetric Gaussian random fields and derive the general correlation functions of this ensemble. It turns out that despite strong effects of the shift-twist symmetry on the structure of the correlation functions and on the map layout the lower bound on the pinwheel densities remains unaffected, predicting pinwheel annihilation in systems with low pinwheel densities.

Structure and magnetic properties of mechanically alloyed Co and Co-Ni

NASA Astrophysics Data System (ADS)

Guessasma, S.; Fenineche, N.

The influence of milling process on magnetic properties of Co and Co-Ni materials is studied. Coercivity, squareness ratio and crystallite size of mechanically alloyed Co-Ni material were related to milling time. For Co material, coercivity, cubic phase ratio and crystallite size were related to milling energy considering the vial and plateau rotation velocities. An artificial neural network (ANN) combining the parameters for both materials is used to predict magnetic and structure results versus milling conditions. Predicted results showed that milling energy is mostly dependent on the ratio vial to plateau rotation velocities and that milling times larger than 40 h do not add significant change to both structure and magnetic responses. Magnetic parameters were correlated to crystallite size and the D 6 law was only valid for small sizes.

Comparative study of Ni and Cu doped ZnO nanoparticles: Structural and optical properties

NASA Astrophysics Data System (ADS)

Thakur, Shaveta; Thakur, Samita; Sharma, Jyoti; Kumar, Sanjay

2018-05-01

Nanoparticles of undoped and doped (0.1 M Ni2+ and Cu2+) ZnO are synthesized using chemical precipitation method. The crystallite size, morphology, chemical bonding and optical properties of as prepared nanoparticles are determined by X-ray diffraction (XRD), Scanning electron microscopy (SEM), Fourier transform infrared (FTIR) spectroscopy and UV-visible spectra. XRD analysis shows that the prepared samples are single phase and have hexagonal wurtzite structure. The crystallite size of the doped and undoped nanoparticles is determined using Scherrer method. The crystallite size is found to be increased with concentration of nickel and copper. All stretching and vibrational bands are observed at their specific positions through FTIR. The increase in band gap can be attributed to the different chemical nature of dopant and host cation.

The formation of titanium dioxide crystallite nanoparticles during activation of PAN nanofibers containing titanium isopropoxide

NASA Astrophysics Data System (ADS)

Mehrpouya, Fahimeh; Tavanai, Hossein; Morshed, Mohammad; Ghiaci, Mehran

2012-08-01

Activated carbon (AC) can act as an important carrier for TiO2 nanoparticles. TiO2 nanoparticle can be fabricated by the hydrolysis and condensation of titanium alkoxides like titanium isopropoxide. This study showed that the formation of titanium dioxide crystallite nanoparticle during activation of PAN nanofibers containing titanium isopropoxide leads to the formation of mainly anatase crystal TiO2 nanoparticle in AC nanofibers, with a good dispersion in both the longitude and cross section of nanofibers. The TiO2 crystallite size lies in the range of 7.3-11.3 nm. The dispersion of TiO2 nanoparticles in the matrix of AC nanofibers is far superior to the direct mixing of TiO2 nanoparticles in the original electrospinning solution.

Crystallinity of the epitaxial heterojunction of C60 on single crystal pentacene

NASA Astrophysics Data System (ADS)

Tsuruta, Ryohei; Mizuno, Yuta; Hosokai, Takuya; Koganezawa, Tomoyuki; Ishii, Hisao; Nakayama, Yasuo

2017-06-01

The structure of pn heterojunctions is an important subject in the field of organic semiconductor devices. In this work, the crystallinity of an epitaxial pn heterojunction of C60 on single crystal pentacene is investigated by non-contact mode atomic force microscopy and high-resolution grazing incidence x-ray diffraction. Analysis shows that the C60 molecules assemble into grains consisting of single crystallites on the pentacene single crystal surface. The in-plane mean crystallite size exceeds 0.1 μm, which is at least five time larger than the size of crystallites deposited onto polycrystalline pentacene thin films grown on SiO2. The results indicate that improvement in the crystal quality of the underlying molecular substrate leads to drastic promotion of the crystallinity at the organic semiconductor heterojunction.

EPR of radiation defects in lithium-oxyfluoride glass ceramics

NASA Astrophysics Data System (ADS)

Fedotovs, A.; Rogulis, U.; Sarakovskis, A.; Dimitrocenko, L.

2010-11-01

We studied oxyfluoride composites based on lithium silicate glasses with yttrium fluorides and rare-earth dopants. The electron paramagnetic resonance (EPR) has been used to obtain information about radiation induced defects in these materials. Spectra have been measured before and after X-ray irradiation at room temperature and at liquid nitrogen temperature. Fluoride crystallites within samples were created by means of thermal treatment at specific temperatures. EPR spectra of radiation induced defects in oxyfluoride glass ceramics, in which crystallites have not been yet created, show no explicit hfs interaction of fluorine nuclei. However, in glass ceramics, which already contains fluoride crystallites, the hfs characteristic to fluorine nuclei appears in the EPR spectra. EPR hyperfine structure could be explained within a model of an F-type centre in YF3 crystalline phase.

Chromosome Gene Orientation Inversion Networks (GOINs) of Plasmodium Proteome.

PubMed

Quevedo-Tumailli, Viviana F; Ortega-Tenezaca, Bernabé; González-Díaz, Humbert

2018-03-02

The spatial distribution of genes in chromosomes seems not to be random. For instance, only 10% of genes are transcribed from bidirectional promoters in humans, and many more are organized into larger clusters. This raises intriguing questions previously asked by different authors. We would like to add a few more questions in this context, related to gene orientation inversions. Does gene orientation (inversion) follow a random pattern? Is it relevant to biological activity somehow? We define a new kind of network coined as the gene orientation inversion network (GOIN). GOIN's complex network encodes short- and long-range patterns of inversion of the orientation of pairs of gene in the chromosome. We selected Plasmodium falciparum as a case of study due to the high relevance of this parasite to public health (causal agent of malaria). We constructed here for the first time all of the GOINs for the genome of this parasite. These networks have an average of 383 nodes (genes in one chromosome) and 1314 links (pairs of gene with inverse orientation). We calculated node centralities and other parameters of these networks. These numerical parameters were used to study different properties of gene inversion patterns, for example, distribution, local communities, similarity to Erdös-Rényi random networks, randomness, and so on. We find clues that seem to indicate that gene orientation inversion does not follow a random pattern. We noted that some gene communities in the GOINs tend to group genes encoding for RIFIN-related proteins in the proteome of the parasite. RIFIN-like proteins are a second family of clonally variant proteins expressed on the surface of red cells infected with Plasmodium falciparum. Consequently, we used these centralities as input of machine learning (ML) models to predict the RIFIN-like activity of 5365 proteins in the proteome of Plasmodium sp. The best linear ML model found discriminates RIFIN-like from other proteins with sensitivity and specificity 70-80% in training and external validation series. All of these results may point to a possible biological relevance of gene orientation inversion not directly dependent on genetic sequence information. This work opens the gate to the use of GOINs as a tool for the study of the structure of chromosomes and the study of protein function in proteome research.

Electroactive BaTiO3 nanoparticle-functionalized fibrous scaffolds enhance osteogenic differentiation of mesenchymal stem cells

PubMed Central

Li, Yiping; Dai, Xiaohan; Bai, Yunyang; Liu, Yun; Wang, Yuehong; Liu, Ousheng; Yan, Fei; Tang, Zhangui; Zhang, Xuehui; Deng, Xuliang

2017-01-01

It has been proven that the surface topographic cues of fiber arrangement can induce osteogenic differentiation of mesenchymal stem cells. However, this effect alone is weak and insufficient to meet the needs of regenerative medicine. In this work, electroactivity concept was introduced to enhance the osteoinductivity of fibrous scaffolds. The randomly oriented and aligned electroactive fibrous scaffolds of poly-(l-lactic acid) (PLLA) with incorporation of ferroelectric ceramic BaTiO3 (BTO) nanoparticles (NPs) were fabricated by electrospinning. Physicochemical properties, including fiber morphology, microstructure, composition, thermal stability, surface roughness, and surface wettability, of these fibrous scaffolds were studied. The dielectric properties of the scaffolds were evaluated. The results showed that the randomly oriented BTO/PLLA composite fibrous scaffolds had the highest dielectric permittivity of 1.19, which is of the same order of magnitude as the natural bone. The combined effects of fiber orientation and electrical activity on the osteogenic responses of bone marrow mesenchymal stem cells (BM-MSCs) were specifically investigated. Randomly oriented composite fibrous scaffolds significantly promoted polygonal spreading and encouraged early osteogenic differentiation in BM-MSCs, whereas aligned composite fibrous scaffolds promoted cell elongation and discouraged osteogenic differentiation. These results evidenced that randomly fiber orientation and biomimetic electric activity have combining effects on osteogenic differentiation of BM-MSCs. Our findings indicate that coupling effects of multi-physical properties should be paid more attention to mimic the microenvironment for enhancing osteogenic differentiation of BM-MSCs. PMID:28603415

Ultrastructure Processing of Ordered Polymers

DTIC Science & Technology

1990-01-18

from regenerated cellulose , then from synthetic polymer consisting of chemical raw materials derived from oils and coal. Since then, some scientists have...ordered crystal- line material, crystallite, throughout the fiber, which is composed of microfibrils and fibrils. The small crystallites are regularly...these flat ribbons appears to consist of smaller " microfibrils " of lateral dimension varying from 50-80 A, as described before(Figs. 15 and 16). These

Expert Design Advisor

DTIC Science & Technology

1990-10-01

to economic, technological, spatial or logistic concerns, or involve training, man-machine interfaces, or integration into existing systems. Once the...probabilistic reasoning, mixed analysis- and simulation-oriented, mixed computation- and communication-oriented, nonpreemptive static priority...scheduling base, nonrandomized, preemptive static priority scheduling base, randomized, simulation-oriented, and static scheduling base. The selection of both

Orienting apples for imaging using their inertial properties and random apple loading

USDA-ARS?s Scientific Manuscript database

The inability to control apple orientation during imaging has hindered development of automated systems for sorting apples for defects such as bruises and for safety issues such as fecal contamination. Recently, a potential method for orienting apples based on their inertial properties was discovere...

Topographic Independent Component Analysis reveals random scrambling of orientation in visual space

PubMed Central

Martinez-Garcia, Marina; Martinez, Luis M.

2017-01-01

Neurons at primary visual cortex (V1) in humans and other species are edge filters organized in orientation maps. In these maps, neurons with similar orientation preference are clustered together in iso-orientation domains. These maps have two fundamental properties: (1) retinotopy, i.e. correspondence between displacements at the image space and displacements at the cortical surface, and (2) a trade-off between good coverage of the visual field with all orientations and continuity of iso-orientation domains in the cortical space. There is an active debate on the origin of these locally continuous maps. While most of the existing descriptions take purely geometric/mechanistic approaches which disregard the network function, a clear exception to this trend in the literature is the original approach of Hyvärinen and Hoyer based on infomax and Topographic Independent Component Analysis (TICA). Although TICA successfully addresses a number of other properties of V1 simple and complex cells, in this work we question the validity of the orientation maps obtained from TICA. We argue that the maps predicted by TICA can be analyzed in the retinal space, and when doing so, it is apparent that they lack the required continuity and retinotopy. Here we show that in the orientation maps reported in the TICA literature it is easy to find examples of violation of the continuity between similarly tuned mechanisms in the retinal space, which suggest a random scrambling incompatible with the maps in primates. The new experiments in the retinal space presented here confirm this guess: TICA basis vectors actually follow a random salt-and-pepper organization back in the image space. Therefore, the interesting clusters found in the TICA topology cannot be interpreted as the actual cortical orientation maps found in cats, primates or humans. In conclusion, Topographic ICA does not reproduce cortical orientation maps. PMID:28640816

Topographic Independent Component Analysis reveals random scrambling of orientation in visual space.

PubMed

Martinez-Garcia, Marina; Martinez, Luis M; Malo, Jesús

2017-01-01

Neurons at primary visual cortex (V1) in humans and other species are edge filters organized in orientation maps. In these maps, neurons with similar orientation preference are clustered together in iso-orientation domains. These maps have two fundamental properties: (1) retinotopy, i.e. correspondence between displacements at the image space and displacements at the cortical surface, and (2) a trade-off between good coverage of the visual field with all orientations and continuity of iso-orientation domains in the cortical space. There is an active debate on the origin of these locally continuous maps. While most of the existing descriptions take purely geometric/mechanistic approaches which disregard the network function, a clear exception to this trend in the literature is the original approach of Hyvärinen and Hoyer based on infomax and Topographic Independent Component Analysis (TICA). Although TICA successfully addresses a number of other properties of V1 simple and complex cells, in this work we question the validity of the orientation maps obtained from TICA. We argue that the maps predicted by TICA can be analyzed in the retinal space, and when doing so, it is apparent that they lack the required continuity and retinotopy. Here we show that in the orientation maps reported in the TICA literature it is easy to find examples of violation of the continuity between similarly tuned mechanisms in the retinal space, which suggest a random scrambling incompatible with the maps in primates. The new experiments in the retinal space presented here confirm this guess: TICA basis vectors actually follow a random salt-and-pepper organization back in the image space. Therefore, the interesting clusters found in the TICA topology cannot be interpreted as the actual cortical orientation maps found in cats, primates or humans. In conclusion, Topographic ICA does not reproduce cortical orientation maps.

Structure and properties of carbon black particles

NASA Astrophysics Data System (ADS)

Xu, Wei

Structure and properties of carbon black particles were investigated using atomic force microscopy, gas adsorption, Raman spectroscopy, and X-ray diffraction. Supplementary information was obtained using TEM and neutron scattering. The AFM imaging of carbon black aggregates provided qualitative visual information on their morphology, complementary to that obtained by 3-D modeling based on TEM images. Our studies showed that carbon black aggregates were relatively flat. The surface of all untreated carbon black particles was found to be rough and its fractal dimension was 2.2. Heating reduced the roughness and fractal dimension for all samples heat treated at above 1300 K to 2.0. Once the samples were heat treated rapid cooling did not affect the surface roughness. However, rapid cooling reduced crystallite sizes, and different Raman spectra were obtained for carbon blacks of various history of heat treatment. By analyzing the Raman spectra we determined the crystallite sizes and identified amorphous carbon. The concentration of amorphous carbon depends on hydrogen content. Once hydrogen was liberated at increased temperature, the concentration of amorphous carbon was reduced and crystallites started to grow. Properties of carbon blacks at high pressure were also studied. Hydrostatic pressure did not affect the size of the crystallites in carbon black particles. The pressure induced shift in Raman frequency of the graphitic component was a result of increased intermolecular forces and not smaller crystallites. Two methods of determining the fractal dimension, the FHH model and the yardstick technique based on the BET theory were used in the literature. Our study proved that the FHH model is sensitive to numerous assumptions and leads to wrong conclusions. On the other hand the yardstick method gave correct results, which agreed with the AFM results.

Hierarchically 3D assembled strontium titanate nanomaterials for water splitting application

NASA Astrophysics Data System (ADS)

Moniruddin, Md; Afroz, Khurshida; Shabdan, Yerkin; Bizri, Baraa; Nuraje, Nurxat

2017-10-01

Water splitting is an important technique to store solar energy in the simple form of chemical energy, such as hydrogen. Strontium titanate (SrTiO3) is one of the most promising photocatalysts to produce hydrogen gas from water splitting. In this research, an electrospinning technique in combination with sol-gel method was developed to synthesize 3D porous SrTiO3 nanostructures. Different crystallite sizes of SrTiO3-nanofibers (STO-NFs) were produced by varying the synthesis parameters including precursor concentration and calcination temperature. The synthesized nanofibers were characterized using DSC, TGA, XRD, SEM, and TEM. The crystallite size of STO-NFs decreases with increasing precursor concentration (3.03-15.78 vol.%) and gradually increases as the calcination temperature increases within the range of 600-800 °C. The photocatalytic activity of different STO-NFs (based on crystallite size) was also evaluated by the amount of H2 production from water splitting under UV irradiation. The H2 evolution study demonstrated that the photocatalytic activity of the STO-NFs strongly depends on the crystallite size of the nanofibers, precursor concentration, and calcination temperature. The H2 production rate increases with increasing crystallite size and temperature, whereas it decreases with increasing precursor concentration. The photocatalytic performance of the STO-NFs was also compared with the commercial SrTiO3 nanoparticles (STO-NPs) after Pt addition as a cocatalyst, where the synthesized nanofibers showed 2 times higher H2 production rate (1.14 mmol/g-h) than that of the nanoparticles. This synthesis technique provides a good example to produce other inorganic photocatalytic 3D porous structure materials.

Ex-Situ Synthesis of Polyvinyl alcohol(PVA)-coated Fe3O4 Nanoparticles by Coprecipitation-Ultrasonication Method

NASA Astrophysics Data System (ADS)

Riva'i, Imam; Oktavia Wulandari, Ika; Sulistyarti, Hermin; Sabarudin, Akhmad

2018-01-01

In this study, the synthesis of Fe3O4 nanoparticles was done with surface modification using PVA with coprecipitation-ultrasonication method. Time variations and PVA concentrations were added to determine the effect on crystallite size and lattice parameters on the synthesis of Fe3O4-PVA nanoparticles. Fe3O4 characterization was done using X-Ray Diffraction (XRD) and Fourier Transform Infrared Spectroscopy (FTIR) instruments. FTIR was employed to determine PVA coating on the surface of Fe3O4 nanoparticles. The crystallite size and lattice parameters were analyzed using XRD. From the FTIR data, it is known that the interaction between PVA and Fe3O4 nanoparticles is characterized by Fe-O-C group at 1100 cm-1 region which is characteristic of Fe3O4-PVA nanoparticles, C-H groups of PVA in the range of 2950 cm-1 wave number, C-C of PVA regions of wave number 1405 cm-1, Fe3O4 and Fe3O4-PVA samples are in the range of 565 cm-1. In addition, the variation of ultrasonication time and the addition of PVA concentration have an effect on the crystallite size change and the lattice parameter observed from the XRD data. The use of ultrasonication time will affect the size of the crystallite become smaller and the grating lattice parameters obtained are wider. The effect of addition of PVA showed that higher concentration of PVA resulted in smaller crystallite size and larger lattice parameters. These results indicated that ultrasonication time and addition of PVA concentration greatly affect the characteristics of nanoparticles.

Effect of current density during electrodeposition on microstructure and hardness of textured Cu coating in the application of antimicrobial Al touch surface.

PubMed

Augustin, Arun; Huilgol, Prashant; Udupa, K Rajendra; Bhat K, Udaya

2016-10-01

Copper is a well proven antimicrobial material which can be used in the form of a coating on the touch surfaces. Those coating can offer a good service as touch surface for very long time if only they possess good mechanical properties like scratch resistance and microhardness. In the present work the above mentioned mechanical properties were determined on the electrodeposited copper thin film; deposited on double zincated aluminium. During deposition, current density was varied from 2Adm(-2) to 10Adm(-2), to produce crystallite size in the range of 33.5nm to 66nm. The crystallite size was calculated from the X-ray peak broadening (Scherrer׳s formula) which were later confirmed by TEM micrographs. The scratch hardness and microhardness of the coating were measured and correlated with the crystallite size in the copper coating. Both characteristic values were found to increase with the reduction in crystallite size. Reduced crystallite size (Hall-Petch effect) and preferred growth of copper films along (111) plane play a significant role on the increase in the hardness of the coating. Further, TEM analysis reveals the presence of nano-twins in the film deposited at higher current density, which contributed to a large extent to the sharp increase of coating hardness compared to the mechanism of Hall-Petch effect. The antimicrobial ability of the coated sample has been evaluated against Escherichia coli bacteria and which is compared with that of commercially available bulk copper using the colony count method. 94% of E. coli cells were died after six hours of exposure to the copper coated surface. The morphology of the copper treated cells was studied using SEM. Copyright © 2016 Elsevier Ltd. All rights reserved.

Native Cellulose: Structure, Characterization and Thermal Properties

PubMed Central

Poletto, Matheus; Ornaghi Júnior, Heitor L.; Zattera, Ademir J.

2014-01-01

In this work, the relationship between cellulose crystallinity, the influence of extractive content on lignocellulosic fiber degradation, the correlation between chemical composition and the physical properties of ten types of natural fibers were investigated by FTIR spectroscopy, X-ray diffraction and thermogravimetry techniques. The results showed that higher extractive contents associated with lower crystallinity and lower cellulose crystallite size can accelerate the degradation process and reduce the thermal stability of the lignocellulosic fibers studied. On the other hand, the thermal decomposition of natural fibers is shifted to higher temperatures with increasing the cellulose crystallinity and crystallite size. These results indicated that the cellulose crystallite size affects the thermal degradation temperature of natural fibers. This study showed that through the methods used, previous information about the structure and properties of lignocellulosic fibers can be obtained before use in composite formulations. PMID:28788179

Method and article of manufacture corresponding to a composite comprised of ultra nonacrystalline diamond, metal, and other nanocarbons useful for thermoelectric and other applications

DOEpatents

Gruen, Dieter M.

2010-05-18

One provides (101) disperse ultra-nanocrystalline diamond powder material that comprises a plurality of substantially ordered crystallites that are each sized no larger than about 10 nanometers. One then reacts (102) these crystallites with a metallic component. The resultant nanowire is then able to exhibit a desired increase with respect to its ability to conduct electricity while also substantially preserving the thermal conductivity behavior of the disperse ultra-nanocrystalline diamond powder material. The reaction process can comprise combining (201) the crystallites with one or more metal salts in an aqueous solution and then heating (203) that aqueous solution to remove the water. This heating can occur in a reducing atmosphere (comprising, for example, hydrogen and/or methane) to also reduce the salt to metal.

Characterization of nanostructured VO2 thin films grown by magnetron controlled sputtering deposition and post annealing method.

PubMed

Chen, Sihai; Lai, Jianjun; Dai, Jun; Ma, Hong; Wang, Hongchen; Yi, Xinjian

2009-12-21

By magnetron controlled sputtering system, a new nanostructured metastable monoclinic phase VO2 (B) thin film has been fabricated. The testing result shows that this nanostructured VO2 (B) thin film has high temperature coefficient of resistance (TCR) of -7%/K. Scanning electron microscopy measurement shows that the average grain diameter of the VO2 (B) crystallite is between 100 and 250 nm. After post annealed, VO2 (B) crystallite is changed into monoclinic (M) phase VO2 (M) crystallite with the average grain diameter between 20 and 50 nm. A set up of testing the thin film switching time is established. The test result shows the switching time is about 50 ms. With the nanostructured VO2 (B) and VO2 (M) thin films, optical switches and high sensitivity detectors will be presented.

A scattering model for forested area

NASA Technical Reports Server (NTRS)

Karam, M. A.; Fung, A. K.

1988-01-01

A forested area is modeled as a volume of randomly oriented and distributed disc-shaped, or needle-shaped leaves shading a distribution of branches modeled as randomly oriented finite-length, dielectric cylinders above an irregular soil surface. Since the radii of branches have a wide range of sizes, the model only requires the length of a branch to be large compared with its radius which may be any size relative to the incident wavelength. In addition, the model also assumes the thickness of a disc-shaped leaf or the radius of a needle-shaped leaf is much smaller than the electromagnetic wavelength. The scattering phase matrices for disc, needle, and cylinder are developed in terms of the scattering amplitudes of the corresponding fields which are computed by the forward scattering theorem. These quantities along with the Kirchoff scattering model for a randomly rough surface are used in the standard radiative transfer formulation to compute the backscattering coefficient. Numerical illustrations for the backscattering coefficient are given as a function of the shading factor, incidence angle, leaf orientation distribution, branch orientation distribution, and the number density of leaves. Also illustrated are the properties of the extinction coefficient as a function of leaf and branch orientation distributions. Comparisons are made with measured backscattering coefficients from forested areas reported in the literature.

Nanofiber Orientation and Surface Functionalization Modulate Human Mesenchymal Stem Cell Behavior In Vitro

PubMed Central

Kolambkar, Yash M.; Bajin, Mehmet; Wojtowicz, Abigail; Hutmacher, Dietmar W.; García, Andrés J.

2014-01-01

Electrospun nanofiber meshes have emerged as a new generation of scaffold membranes possessing a number of features suitable for tissue regeneration. One of these features is the flexibility to modify their structure and composition to orchestrate specific cellular responses. In this study, we investigated the effects of nanofiber orientation and surface functionalization on human mesenchymal stem cell (hMSC) migration and osteogenic differentiation. We used an in vitro model to examine hMSC migration into a cell-free zone on nanofiber meshes and mitomycin C treatment to assess the contribution of proliferation to the observed migration. Poly (ɛ-caprolactone) meshes with oriented topography were created by electrospinning aligned nanofibers on a rotating mandrel, while randomly oriented controls were collected on a stationary collector. Both aligned and random meshes were coated with a triple-helical, type I collagen-mimetic peptide, containing the glycine-phenylalanine-hydroxyproline-glycine-glutamate-arginine (GFOGER) motif. Our results indicate that nanofiber GFOGER peptide functionalization and orientation modulate cellular behavior, individually, and in combination. GFOGER significantly enhanced the migration, proliferation, and osteogenic differentiation of hMSCs on nanofiber meshes. Aligned nanofiber meshes displayed increased cell migration along the direction of fiber orientation compared to random meshes; however, fiber alignment did not influence osteogenic differentiation. Compared to each other, GFOGER coating resulted in a higher proliferation-driven cell migration, whereas fiber orientation appeared to generate a larger direct migratory effect. This study demonstrates that peptide surface modification and topographical cues associated with fiber alignment can be used to direct cellular behavior on nanofiber mesh scaffolds, which may be exploited for tissue regeneration. PMID:24020454

Cryptotomography: reconstructing 3D Fourier intensities from randomly oriented single-shot diffraction patterns (CXIDB ID 9)

DOE Data Explorer

Loh, Ne-Te Duane

2011-08-01

These 2000 single-shot diffraction patterns include were either background-scattering only or hits (background-scattering plus diffraction signal from sub-micron ellipsoidal particles at random, undetermined orientations). Candidate hits were identified by eye, and the remainder were presumed as background. 54 usable, background-subtracted hits in this set (procedure in referenced article) were used to reconstruct the 3D diffraction intensities of the average ellipsoidal particle.

Intense alpha-particle emitting crystallites in uranium mill wastes

USGS Publications Warehouse

Landa, E.R.; Stieff, L.R.; Germani, M.S.; Tanner, A.B.; Evans, J.R.

1994-01-01

Nuclear emulsion microscopy has demonstrated the presence of small, intense ??-particle emitting crystallites in laboratory-produced tailings derived from the sulfuric acid milling of uranium ores. The ??-particle activity is associated with the isotope pair 210Pb 210Po, and the host mineral appears to be PbSO4 occurring as inclusions in gypsum laths. These particles represent potential inhalation hazards at uranium mill tailings disposal areas. ?? 1994.

Size-dependent elastic/inelastic behavior of enamel over millimeter and nanometer length scales.

PubMed

Ang, Siang Fung; Bortel, Emely L; Swain, Michael V; Klocke, Arndt; Schneider, Gerold A

2010-03-01

The microstructure of enamel like most biological tissues has a hierarchical structure which determines their mechanical behavior. However, current studies of the mechanical behavior of enamel lack a systematic investigation of these hierarchical length scales. In this study, we performed macroscopic uni-axial compression tests and the spherical indentation with different indenter radii to probe enamel's elastic/inelastic transition over four hierarchical length scales, namely: 'bulk enamel' (mm), 'multiple-rod' (10's microm), 'intra-rod' (100's nm with multiple crystallites) and finally 'single-crystallite' (10's nm with an area of approximately one hydroxyapatite crystallite). The enamel's elastic/inelastic transitions were observed at 0.4-17 GPa depending on the length scale and were compared with the values of synthetic hydroxyapatite crystallites. The elastic limit of a material is important as it provides insights into the deformability of the material before fracture. At the smallest investigated length scale (contact radius approximately 20 nm), elastic limit is followed by plastic deformation. At the largest investigated length scale (contact size approximately 2 mm), only elastic then micro-crack induced response was observed. A map of elastic/inelastic regions of enamel from millimeter to nanometer length scale is presented. Possible underlying mechanisms are also discussed. (c) 2009 Elsevier Ltd. All rights reserved.

Impact of Oriented Clay Particles on X-Ray Spectroscopy Analysis

NASA Astrophysics Data System (ADS)

Lim, A. J. M. S.; Syazwani, R. N.; Wijeyesekera, D. C.

2016-07-01

Understanding the engineering properties of the mineralogy and microfabic of clayey soils is very complex and thus very difficult for soil characterization. Micromechanics of soils recognize that the micro structure and mineralogy of clay have a significant influence on its engineering behaviour. To achieve a more reliable quantitative evaluation of clay mineralogy, a proper sample preparation technique for quantitative clay mineral analysis is necessary. This paper presents the quantitative evaluation of elemental analysis and chemical characterization of oriented and random oriented clay particles using X-ray spectroscopy. Three different types of clays namely marine clay, bentonite and kaolin clay were studied. The oriented samples were prepared by placing the dispersed clay in water and left to settle on porous ceramic tiles by applying a relatively weak suction through a vacuum pump. Images form a Scanning Electron Microscope (SEM) was also used to show the comparison between the orientation patterns of both the sample preparation techniques. From the quantitative analysis of the X-ray spectroscopy, oriented sampling method showed more accuracy in identifying mineral deposits, because it produced better peak intensity on the spectrum and more mineral content can be identified compared to randomly oriented samples.

Elastic properties of woven bone: effect of mineral content and collagen fibrils orientation.

PubMed

García-Rodríguez, J; Martínez-Reina, J

2017-02-01

Woven bone is a type of tissue that forms mainly during fracture healing or fetal bone development. Its microstructure can be modeled as a composite with a matrix of mineral (hydroxyapatite) and inclusions of collagen fibrils with a more or less random orientation. In the present study, its elastic properties were estimated as a function of composition (degree of mineralization) and fibril orientation. A self-consistent homogenization scheme considering randomness of inclusions' orientation was used for this purpose. Lacuno-canalicular porosity in the form of periodically distributed void inclusions was also considered. Assuming collagen fibrils to be uniformly oriented in all directions led to an isotropic tissue with a Young's modulus [Formula: see text] GPa, which is of the same order of magnitude as that of woven bone in fracture calluses. By contrast, assuming fibrils to have a preferential orientation resulted in a Young's modulus in the preferential direction of 9-16 GPa depending on the mineral content of the tissue. These results are consistent with experimental evidence for woven bone in foetuses, where collagen fibrils are aligned to a certain extent.

Bilateral robotic priming before task-oriented approach in subacute stroke rehabilitation: a pilot randomized controlled trial.

PubMed

Hsieh, Yu-Wei; Wu, Ching-Yi; Wang, Wei-En; Lin, Keh-Chung; Chang, Ku-Chou; Chen, Chih-Chi; Liu, Chien-Ting

2017-02-01

To investigate the treatment effects of bilateral robotic priming combined with the task-oriented approach on motor impairment, disability, daily function, and quality of life in patients with subacute stroke. A randomized controlled trial. Occupational therapy clinics in medical centers. Thirty-one subacute stroke patients were recruited. Participants were randomly assigned to receive bilateral priming combined with the task-oriented approach (i.e., primed group) or to the task-oriented approach alone (i.e., unprimed group) for 90 minutes/day, 5 days/week for 4 weeks. The primed group began with the bilateral priming technique by using a bimanual robot-aided device. Motor impairments were assessed by the Fugal-Meyer Assessment, grip strength, and the Box and Block Test. Disability and daily function were measured by the modified Rankin Scale, the Functional Independence Measure, and actigraphy. Quality of life was examined by the Stroke Impact Scale. The primed and unprimed groups improved significantly on most outcomes over time. The primed group demonstrated significantly better improvement on the Stroke Impact Scale strength subscale ( p = 0.012) and a trend for greater improvement on the modified Rankin Scale ( p = 0.065) than the unprimed group. Bilateral priming combined with the task-oriented approach elicited more improvements in self-reported strength and disability degrees than the task-oriented approach by itself. Further large-scale research with at least 31 participants in each intervention group is suggested to confirm the study findings.

Decorating graphene oxide with CuO nanoparticles in a water-isopropanol system.

PubMed

Zhu, Junwu; Zeng, Guiyu; Nie, Fude; Xu, Xiaoming; Chen, Sheng; Han, Qiaofeng; Wang, Xin

2010-06-01

A facile chemical procedure capable of aligning CuO nanoparticles on graphene oxide (GO) in a water-isopropanol system has been described. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) observations indicate that the exfoliated GO sheets are decorated randomly by spindly or spherical CuO nanoparticle aggregates, forming well-ordered CuO:GO nanocomposites. A formation mechanism of these interesting nanocomposites is proposed as intercalation and adsorption of Cu2+ ions onto the GO sheets, followed by the nucleation and growth of the CuO crystallites, which in return resulted in the exfoliation of GO sheets. Moreover, the obtained nanocomposites exhibit a high catalytic activity for the thermal decomposition of ammonium perchlorate (AP), due to the concerted effect of CuO and GO.

Measuring market orientation: further evidence on Narver and Slater's three-component scale.

PubMed

Chakrabarty, Subhra; Rogé, Joseph N

2003-12-01

A mail survey of a national random sample of 2,000 marketing managers was conducted. The data provided by 222 respondents were analyzed to assess the dimensionality of Narver and Slater's 15-item measure of market orientation. A confirmatory factor analysis, using LISREL 8.53, provided support for each of the separate dimensions of customer orientation, competitor orientation, and interfunctional coordination. However, a combined 3-factor model of market orientation was not supported. Directions for research are suggested.

Modeling of Disordered Binary Alloys Under Thermal Forcing: Effect of Nanocrystallite Dissociation on Thermal Expansion of AuCu3

NASA Astrophysics Data System (ADS)

Kim, Y. W.; Cress, R. P.

2016-11-01

Disordered binary alloys are modeled as a randomly close-packed assembly of nanocrystallites intermixed with randomly positioned atoms, i.e., glassy-state matter. The nanocrystallite size distribution is measured in a simulated macroscopic medium in two dimensions. We have also defined, and measured, the degree of crystallinity as the probability of a particle being a member of nanocrystallites. Both the distribution function and the degree of crystallinity are found to be determined by alloy composition. When heated, the nanocrystallites become smaller in size due to increasing thermal fluctuation. We have modeled this phenomenon as a case of thermal dissociation by means of the law of mass action. The crystallite size distribution function is computed for AuCu3 as a function of temperature by solving some 12 000 coupled algebraic equations for the alloy. The results show that linear thermal expansion of the specimen has contributions from the temperature dependence of the degree of crystallinity, in addition to respective thermal expansions of the nanocrystallites and glassy-state matter.

Medium scale carbon nanotube thin film integrated circuits on flexible plastic substrates

DOEpatents

Rogers, John A; Cao, Qing; Alam, Muhammad; Pimparkar, Ninad

2015-02-03

The present invention provides device components geometries and fabrication strategies for enhancing the electronic performance of electronic devices based on thin films of randomly oriented or partially aligned semiconducting nanotubes. In certain aspects, devices and methods of the present invention incorporate a patterned layer of randomly oriented or partially aligned carbon nanotubes, such as one or more interconnected SWNT networks, providing a semiconductor channel exhibiting improved electronic properties relative to conventional nanotubes-based electronic systems.

Early Visual Cortex Dynamics during Top-Down Modulated Shifts of Feature-Selective Attention.

PubMed

Müller, Matthias M; Trautmann, Mireille; Keitel, Christian

2016-04-01

Shifting attention from one color to another color or from color to another feature dimension such as shape or orientation is imperative when searching for a certain object in a cluttered scene. Most attention models that emphasize feature-based selection implicitly assume that all shifts in feature-selective attention underlie identical temporal dynamics. Here, we recorded time courses of behavioral data and steady-state visual evoked potentials (SSVEPs), an objective electrophysiological measure of neural dynamics in early visual cortex to investigate temporal dynamics when participants shifted attention from color or orientation toward color or orientation, respectively. SSVEPs were elicited by four random dot kinematograms that flickered at different frequencies. Each random dot kinematogram was composed of dashes that uniquely combined two features from the dimensions color (red or blue) and orientation (slash or backslash). Participants were cued to attend to one feature (such as color or orientation) and respond to coherent motion targets of the to-be-attended feature. We found that shifts toward color occurred earlier after the shifting cue compared with shifts toward orientation, regardless of the original feature (i.e., color or orientation). This was paralleled in SSVEP amplitude modulations as well as in the time course of behavioral data. Overall, our results suggest different neural dynamics during shifts of attention from color and orientation and the respective shifting destinations, namely, either toward color or toward orientation.

K(+)-Induced in situ self-assembly of near-infrared luminescent membrane material armored with bigger Yb(III) complex crystallites.

PubMed

Chen, Wanmin; Tang, Xiaoliang; Dou, Wei; Ju, Zhenghua; Xu, Benhua; Xu, Wenxuan; Liu, Weisheng

2016-04-14

A semi-rigid ligand could capture effectively Yb(3+) ions to form a stable Yb(3+) complex and provide a potential cavity to accommodate alkali metal ions. Only K(+) ions could induce the Yb(3+) complex to form a 1D coordination polymer and promote the in situ formation of an NIR membrane coated with bigger Yb(3+) complex crystallites under mild conditions.

Microgravity

NASA Image and Video Library

2004-04-15

These are images of CGEL-2 samples taken during STS-95. They show binary colloidal suspensions that have formed ordered crystalline structures in microgravity. In sample 5, there are more particles therefore, many, many crystallites (small crystals) form. In sample 6, there are less particles therefore, the particles are far apart and few, much larger crystallites form. The white object in the right corner of sample 5 is the stir bar used to mix the sample at the begirning of the mission.

Magnesium-ion battery-relevant electrochemistry of MgMn 2O 4: crystallite size effects and the notable role of electrolyte water content

DOE PAGES

Yin, Jiefu; Brady, Alexander B.; Takeuchi, Esther S.; ...

2017-03-06

MgMn 2O 4 nanoparticles with crystallite sizes of 11 (MMO-1) and 31 nm (MMO-2) were synthesized and their magnesium-ion battery-relevant electrochemistry was investigated. Here, MMO-1 delivered an initial capacity of 220 mA h g –1 (678 mW h g –1). Electrolyte water content had a profound effect on cycle retention.

Structural properties and gas sensing behavior of sol-gel grown nanostructured zinc oxide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rajyaguru, Bhargav; Gadani, Keval; Kansara, S. B.

2016-05-06

In this communication, we report the results of the studies on structural properties and gas sensing behavior of nanostructured ZnO grown using acetone precursor based modified sol-gel technique. Final product of ZnO was sintered at different temperatures to vary the crystallite size while their structural properties have been studied using X-ray diffraction (XRD) measurement performed at room temperature. XRD results suggest the single phasic nature of all the samples and crystallite size increases from 11.53 to 20.96 nm with increase in sintering temperature. Gas sensing behavior has been studied for acetone gas which indicates that lower sintered samples are moremore » capable to sense the acetone gas and related mechanism has been discussed in the light of crystallite size, crystal boundary density, defect mechanism and possible chemical reaction between gas traces and various oxygen species.« less

Quantum Mechanical Calculations of Vibrational Sum-Frequency-Generation (SFG) Spectra of Cellulose: Dependence of the CH and OH Peak Intensity on the Polarity of Cellulose Chains within the SFG Coherence Domain.

PubMed

Lee, Christopher M; Chen, Xing; Weiss, Philip A; Jensen, Lasse; Kim, Seong H

2017-01-05

Vibrational sum-frequency-generation (SFG) spectroscopy is capable of selectively detecting crystalline biopolymers interspersed in amorphous polymer matrices. However, the spectral interpretation is difficult due to the lack of knowledge on how spatial arrangements of crystalline segments influence SFG spectra features. Here we report time-dependent density functional theory (TD-DFT) calculations of cellulose crystallites in intimate contact with two different polarities: parallel versus antiparallel. TD-DFT calculations reveal that the CH/OH intensity ratio is very sensitive to the polarity of the crystallite packing. Theoretical calculations of hyperpolarizability tensors (β abc ) clearly show the dependence of SFG intensities on the polarity of crystallite packing within the SFG coherence length, which provides the basis for interpretation of the empirically observed SFG features of native cellulose in biological systems.

Synthesis of antimony-doped tin oxide (ATO) nanoparticles by the nitrate-citrate combustion method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang Jianrong; Gao Lian

2004-12-02

Antimony-doped tin oxide (ATO) nanoparticles having rutile structure have been synthesized by the combustion method using citric acid (CA) as fuel and nitrate as an oxidant, the metal sources were granulated tin and Sb{sub 2}O{sub 3}. The influence of citric acid (fuel) to metal ratio on the average crystallite size, specific surface area and morphology of the nanoparticles has been investigated. X-ray diffraction showed the tin ions were reduced to elemental tin during combustion reaction. The average ATO crystallite size increased with the increase of citric acid (fuel). Powder morphology and the comparison of crystallite size and grain size showsmore » that the degree of agglomeration of the powder decreased with an increase of the ratio. The highest specific surface area was 37.5 m{sup 2}/g when the citric acid to tin ratio was about 6.« less

Effect of the CTAB concentration on the upconversion emission of ZrO 2:Er 3+ nanocrystals

NASA Astrophysics Data System (ADS)

López-Luke, T.; De la Rosa, E.; Sólis, D.; Salas, P.; Angeles-Chavez, C.; Montoya, A.; Díaz-Torres, L. A.; Bribiesca, S.

2006-10-01

Upconversion emission of ZrO 2:Er 3+ (0.2 mol%) nanophosphor were studied as function of surfactant concentration after excitation at 968 nm. The strong green emission was produced by the transition 2H 11/2 + 4S 3/2 → 4I 15/2 and was explained in terms of cooperative energy transfer between neighboring ions. The upconverted signal was enhanced but the fluorescence decay time was reduced as either the surfactant concentration increases or the annealing time reduces. Experimental results show that surfactant concentration controls the particle size and morphology while annealing time control the phase composition and crystallite size. The highest intensity was obtained for a sample composed of a mixture of tetragonal (33 wt.%) and monoclinic (67 wt.%) phase with crystallite size of 31 and 59 nm, respectively. This result suggests that tetragonal crystalline structure and small crystallite size are more favorable for the upconversion emission.

Hydrothermal synthesis and magnetic properties of Mn doped ZnS nanoparticles

NASA Astrophysics Data System (ADS)

Rashad, M. M.; Rayan, D. A.; El-Barawy, K.

2010-01-01

Nanocrystallite Mn doped Zn1-XS (X = 0 to 0.4) powders have been synthesized through a hydrothermal route. The effect of the hydrothermal temperature and Mn2+ ions substitution on the crystal structure, crystallite size, microstructure and magnetic properties were investigated using (XRD), (SEM) and (VSM). The results revealed that wurtzite zinc sulfide phase was formed using thiourea as a sulfur source at temperature 150- 200oC for 24 h. The crystallite size was (7.9-15.1 nm) was obtained at the same conditions. The doping of Mn2+ ions decreased the crystallite size of the formed ZnS wurtzite phase was in the range between 7.9 and 3.8 nm. SEM micrographs showed that the produced ZnS and Mn doped ZnS particles were appeared as spherical shape. The magnetic properties were improved by substitution of Mn2+ ions up to 0.2.

Control of crystallite and particle size in the synthesis of layered double hydroxides: Macromolecular insights and a complementary modeling tool.

PubMed

Galvão, Tiago L P; Neves, Cristina S; Caetano, Ana P F; Maia, Frederico; Mata, Diogo; Malheiro, Eliana; Ferreira, Maria J; Bastos, Alexandre C; Salak, Andrei N; Gomes, José R B; Tedim, João; Ferreira, Mário G S

2016-04-15

Zinc-aluminum layered double hydroxides with nitrate intercalated (Zn(n)Al-NO3, n=Zn/Al) is an intermediate material for the intercalation of different functional molecules used in a wide range of industrial applications. The synthesis of Zn(2)Al-NO3 was investigated considering the time and temperature of hydrothermal treatment. By examining the crystallite size in two different directions, hydrodynamic particle size, morphology, crystal structure and chemical species in solution, it was possible to understand the crystallization and dissolution processes involved in the mechanisms of crystallite and particle growth. In addition, hydrogeochemical modeling rendered insights on the speciation of different metal cations in solution. Therefore, this tool can be a promising solution to model and optimize the synthesis of layered double hydroxide-based materials for industrial applications. Copyright © 2016 Elsevier Inc. All rights reserved.

Efficient perovskite light-emitting diodes featuring nanometre-sized crystallites

NASA Astrophysics Data System (ADS)

Xiao, Zhengguo; Kerner, Ross A.; Zhao, Lianfeng; Tran, Nhu L.; Lee, Kyung Min; Koh, Tae-Wook; Scholes, Gregory D.; Rand, Barry P.

2017-01-01

Organic-inorganic hybrid perovskite materials are emerging as highly attractive semiconductors for use in optoelectronics. In addition to their use in photovoltaics, perovskites are promising for realizing light-emitting diodes (LEDs) due to their high colour purity, low non-radiative recombination rates and tunable bandgap. Here, we report highly efficient perovskite LEDs enabled through the formation of self-assembled, nanometre-sized crystallites. Large-group ammonium halides added to the perovskite precursor solution act as a surfactant that dramatically constrains the growth of 3D perovskite grains during film forming, producing crystallites with dimensions as small as 10 nm and film roughness of less than 1 nm. Coating these nanometre-sized perovskite grains with longer-chain organic cations yields highly efficient emitters, resulting in LEDs that operate with external quantum efficiencies of 10.4% for the methylammonium lead iodide system and 9.3% for the methylammonium lead bromide system, with significantly improved shelf and operational stability.

Twins and their boundaries during homoepitaxy on Ir(111)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bleikamp, Sebastian; Michely, Thomas; Coraux, Johann

2011-02-01

The growth and annealing behavior of strongly twinned homoepitaxial films on Ir(111) have been investigated by scanning tunneling microscopy, low-energy electron diffraction, and surface x-ray diffraction. In situ surface x-ray diffraction during and after film growth turned out to be an efficient tool for the determination of twin fractions in multilayer films and to unravel the nature of lateral twin crystallite boundaries. The annealing of the twin structures is shown to take place in a two-step process; first, the length of the lateral twin crystallite boundaries is reduced, without affecting the amount of twinned material, and then, at much highermore » temperatures, the twins themselves anneal. Within moderately annealed films lateral twin crystallite boundaries are visible at the film surface as fractional steps from which strain fields extend. The nature of these boundaries is discussed.« less

Cadmium-sulfide crystallites in Cd-. gamma. -glutamyl peptide complexes from Lycopersicon and Daucus

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reese, R.N.; Winge, D.R.

1989-04-01

Hydroponically-grown tomato plants (Lycopersicon esculentum P. Mill. cv stone) and suspension-cultured carrot cells (Daucus carota L.) exposed to 100 {mu}M cadmium salts produced metal-{gamma}-glutamyl peptide complexes containing acid labile sulfur. The properties of the complexes resemble the Cd-{gamma}-glutamyl complexes from Schizosaccharomyces pombe and Candida glabrata, known to contain a CdS crystallite core. The crystallite core is stabilized by a coating of peptides of the general structure ({gamma}-Glu-Cys){sub n}-Gly. The Cd-peptide complexes contain predominantly peptides of n{sub 2}, n{sub 3}, n{sub 4} and n{sub 3}desGly. Zn-peptide complexes were also isolated from carrot cultures grown in MS medium supplemented with 2 mMmore » Zn and cysteine. Results of preliminary characterization of these complexes are consistent with the presence of a colloidal particle similar to that of the Cd-complexes.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Apaydin, Ramazan Oguzhan; Ebin, Burcak; Gurmen, Sebahattin

Copper-Nickel (CuNi) nanostructured alloy particles were produced by Ultrasonic Spray Pyrolysis and Hydrogen Reduction Method (USP-HR) from high purity copper and nickel nitrate aqueous solutions. The effect of the precursor solution in the range of 0.1 and 0.5 mol/L on the morphology and crystallite size of CuNi nanoparticles were investigated under 2 h running time, 700 °C operating temperature and 0.5 L/min H{sub 2} flow rate. Particle size, morphology, composition and crystallite structure were characterized by Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDS) and X-Ray Diffraction (XRD). Particle characterization studies show that nanostructured alloy particles have cubic crystal structuremore » and they are in submicron size range with spherical morphology. The crystallite sizes of the particles calculated with Scherrer formula are 40 and 34 nm and average particles sizes observed from the SEM images are 300 and 510 nm for each experiment respectively.« less

Phase change in CoTi2 induced by MeV electron irradiation

NASA Astrophysics Data System (ADS)

Zensho, Akihiro; Sato, Kazuhisa; Yasuda, Hidehiro; Mori, Hirotaro

2018-07-01

The phase change induced by MeV electron irradiation in the intermetallic compound E93-CoTi2 was investigated using high-voltage electron microscopy. Under MeV electron irradiation, CoTi2 was first transformed into an amorphous phase and, with continued irradiation, crystallite formation in the amorphous phase (i.e. formation of crystallites of a solid-solution phase within the amorphous phase) was induced. The critical temperature for amorphisation was around 250 K. The total dose (dpa) required for crystallite formation (i.e. that required for partial crystallisation) was high (i.e. 27-80 dpa) and, even after prolonged irradiation, the amorphous phase was retained in the irradiated sample. Such partial crystallisation behaviour of amorphous Co33Ti67 was clearly different from the crystallisation behaviour (i.e. amorphous-to-solid solution, polymorphous transformation) of amorphous Cr67Ti33 reported in the literature. A possible cause of the difference is discussed.

Characterization of X80 and X100 Microalloyed Pipeline Steel Using Quantitative X-ray Diffraction

NASA Astrophysics Data System (ADS)

Wiskel, J. B.; Li, X.; Ivey, D. G.; Henein, H.

2018-06-01

Quantitative X-ray diffraction characterization of four (4) X80 and three (3) X100 microalloyed steels was undertaken. The effect of through-thickness position, processing parameters, and composition on the measured crystallite size, microstrain, and J index (relative magnitude of crystallographic texture) was determined. Microstructure analysis using optical microscopy, scanning electron microscopy, transmission electron microscopy, and electron-backscattered diffraction was also undertaken. The measured value of microstrain increased with increasing alloy content and decreasing cooling interrupt temperature. Microstructural features corresponding to crystallite size in the X80 steels were both above and below the detection limit for quantitative X-ray diffraction. The X100 steels consistently exhibited microstructure features below the crystallite size detection limit. The yield stress of each steel increased with increasing microstrain. The increase in microstrain from X80 to X100 is also associated with a change in microstructure from predominantly polygonal ferrite to bainitic ferrite.

Electronic and structural properties of micro-and nanometre-sized crystalline copper monoxide ceramics investigated by positron annihilation

NASA Astrophysics Data System (ADS)

Druzhkov, A. P.; Gizhevskii, B. A.; Arbuzov, V. L.; Kozlov, E. A.; Shalnov, K. V.; Naumov, S. V.; Perminov, D. A.

2002-09-01

Electronic and structural properties of copper monoxide (CuO) sintered as a common ceramic and nanoceramic are studied by positron annihilation spectroscopy. A CuO nanoceramic with crystallite size ranging from 15 to 90 nm was prepared from a common one by shock-wave loading. It is found that the momentum distribution of valence electrons in CuO is shifted, as compared with metallic copper, towards higher momentum values. This result is related to the effect of the Cu 3d-O 2p hybridization in the Cu-O ionic covalent bond formation. It is found that open volumes, identified mainly as small agglomerates of oxygen vacancies, appear at the nanoceramic crystallite interfaces. The degree of the Cu-O bond covalency decreases locally at the crystallite interfaces because of an oxygen deficit. The nanocrystalline state in CuO is shown to be thermally stable up to 700 K.

Laws controlling crystallization and melting in bulk polymers

NASA Astrophysics Data System (ADS)

Strobl, Gert

2007-03-01

When the fundamentals of the structure of semi-crystalline polymers - layer-like crystallites with fold surfaces being embedded in an amorphous matrix - were revealed in the Fifties, considerations about the mechanism of formation started immediately. In the Sixties and Seventies, they became a major field of research and a focus of interest. In the years which followed the approach put forward by Hoffman, Lauritzen and their co-workers [1] gained superiority. The picture envisaged by the treatment - a crystalline lamella with an ordered fold surface and smooth lateral faces, growing layer by layer with a secondary nucleation as rate determining step - is easy to grasp and yields simple relationships. Supercooling below the equilibrium melting point Tf^∞ is the control parameter determining both the thickness dc and the lateral growth rate of the crystallites G. Experiments carried out during the last decade provided new insights and are now completely changing the understanding. They showed in particular - that dc is inversely proportional to the distance to a temperature Tc^∞ distinctly above Tf^∞- that the activation energy determining G diverges at a temperature Tzero clearly below Tf^∞.Further simple relationships concern- recrystallization processes: dc is again inversely proportional to the distance to Tc^∞- the extension of ordered regions within the lamellar crystallites: it is proportional to dc. We interpret the observations as indication that the pathway followed in the growth of polymer crystallites includes an intermediate phase of mesomorphic character. A thin layer with mesomorphic inner structure forms between the lateral crystal face and the melt, stabilized by epitaxial forces. The first step in the growth process is an attachment of chain sequences from the melt onto the growth face of the mesomorphic layer. The high mobility of the chains in the layer allows a spontaneous thickening, up to a critical thickness, where the layer solidifies under formation of block-like crystallites. The last step is a perfectioning of the crystallites, leading to a further stabilization. We constructed a thermodynamic scheme dealing with the transitions between melt, mesomorphic layers and lamellar crystallites, assuming for the latter ones that they exist both in an initial native and a final stabilized form. Tc^∞ and Tzero are identified with the temperatures Tmc and Tam of the (hidden) transitions mesomorphic -> crystalline and amorphous-> mesomorphic, respectively. Application of the scheme in a quantitative evaluation of small angle X-ray scattering and calorimetric results yields the equilibrium transition temperatures between the various phases, latent heats of transition and surface free energies [2]. [1] J.D Hoffman, G.T Davis, and J.I. Lauritzen. In Treatise on Solid State Chemistry Vol.3, N.B.Hannay Ed., page 497. Plenum, 1976. [2] G. Strobl.Eur.Phys.J.E, 18:295, 2005.

Use of an Ultrasonic/Sonic Driller/Corer to Obtain Sample Powder for CHEMIN, a Combined XRD/XRF Instrument

NASA Technical Reports Server (NTRS)

Chipera, S. J.; Bish, D. L.; Vaniman, D. T.; Sherrit, S.; Bar-Cohen, Y.; Sarrazin, P.; Blake, D. F.

2003-01-01

A miniature CHEMIN XRD/XRF (X-Ray Diffraction/X-Ray Fluourescence) instrument is currently being developed for definitive mineralogic analysis of soils and rocks on Mars. One of the technical issues that must be addressed in order to enable XRD analysis on an extraterrestrial body is how best to obtain a representative sample powder for analysis. For XRD powder diffraction analyses, it is beneficial to have a fine-grained sample to reduce preferred orientation effects and to provide a statistically significant number of crystallites to the X-ray beam. Although a 2-dimensional detector as used in the CHEMIN instrument will produce good results with poorly prepared powders, the quality of the data will improve if the sample is fine-grained and randomly oriented. An Ultrasonic/Sonic Driller/Corer (USDC) currently being developed at JPL is an effective mechanism of sampling rock to produce cores and powdered cuttings. It requires low axial load (< 5N) and thus offers significant advantages for operation from lightweight platforms and in low gravity environments. The USDC is lightweight (<0.5kg), and can be driven at low power (<5W) using duty cycling. It consists of an actuator with a piezoelectric stack, ultrasonic horn, free-mass, and drill bit. The stack is driven with a 20 kHz AC voltage at resonance. The strain generated by the piezoelectric is amplified by the horn by a factor of up to 10 times the displacement amplitude. The tip impacts the free-mass and drives it into the drill bit in a hammering action. The free-mass rebounds to interact with the horn tip leading to a cyclic rebound at frequencies in the range of 60-1000 Hz. It does not require lubricants, drilling fluid or bit sharpening and it has the potential to operate at high and low temperatures using a suitable choice of piezoelectric material. To assess whether the powder from an ultrasonic drill would be adequate for analyses by an XRD/XRF spectrometer such as CHEMIN, powders obtained from the JPL ultrasonic drill were analyzed and the results were compared to carefully prepared powders obtained using a laboratory bench scale Retsch mill.

Magnetic Core-Shell Morphology of Structurally Uniform Magnetite Nanoparticles

NASA Astrophysics Data System (ADS)

Krycka, Kathryn

2011-03-01

Magnetic nanoscale structures are intriguing, in part, because of the exotic properties that emerge compared with bulk. The reduction of magnetic moment per atom in magnetite with decreasing nanoparticle size, for example, has been hypothesized to originate from surface disordering to anisotropy-induced radial canting, which are difficult to distinguish using conventional magnetometry. Small-angle neutron scattering (SANS) is ideal for probing structure, both chemical and magnetic, from nm to microns across an ensemble of particles. Adding polarization analysis (PASANS) of the neutron spin orientation before and after interaction with the scattering particles allows the magnetic structure to be separated into its vector components. Application of this novel technique to 9 nm magnetite nanoparticles closed-packed into face-centered crystallites with order of a micron revealed that at nominal saturation the missing magnetic moments unexpectedly interacted to form well-ordered shells 1.0 to 1.5 nm thick canted perpendicular to their ferrimagnetic cores between 160 to 320 K. These shells additionally displayed intra-particle ``cross-talk'', selecting a common orientation over clusters of tens of nanoparticles. However, the shells disappeared when the external field was removed and interparticle magnetic interactions were negligible (300 K), confirming their magnetic origin. This work has been carried out in collaboration with Ryan Booth, Julie Borchers, Wangchun Chen, Liv Dedon, Thomas Gentile, Charles Hogg, Yumi Ijiri, Mark Laver, Sara Majetich, James Rhyne, and Shannon Watson.

The competition between magnetocrystalline and shape anisotropy on the magnetic and magneto-transport properties of crystallographically aligned CuCr2Se4 thin films

NASA Astrophysics Data System (ADS)

Edelman, I.; Esters, M.; Johnson, D. C.; Yurkin, G.; Tarasov, A.; Rautsky, M.; Volochaev, M.; Lyashchenko, S.; Ivantsov, R.; Petrov, D.; Solovyov, L. A.

2017-12-01

Crystallographically aligned nanocrystalline films of the ferromagnetic spinel CuCr2Se4 were successfully synthesized and their structure and alignment were confirmed by X-ray diffraction and high-resolution transmission electron microscopy. The average size of the crystallites is about 200-250 nm, and their (1 1 1) crystal planes are parallel to the film plane. A good match of the film's electronic structure to that of bulk CuCr2Se4 is confirmed by transverse Kerr effect measurements. Four easy 〈1 1 1〉 axes are present in the films. One of these axes is oriented perpendicular and three others are oriented at an angle of 19.5° relative to the film plane. The magnetic properties of the films are determined by a competition between the out-of-plane magnetocrystalline anisotropy and the in-plane shape anisotropy. Magnetic measurements show that the dominating type of anisotropy switches from shape to magnetocrystalline anisotropy near 160 K, which leads to a switch of the effective easy axis from inside the film plane at room temperature to perpendicular to the film plane as the temperature decreases. At last, a moderately large, negative value of the low-temperature magnetoresistance was observed for the first time in CuCr2Se4 films.

Robotic virtual reality simulation plus standard robotic orientation versus standard robotic orientation alone: a randomized controlled trial.

PubMed

Vaccaro, Christine M; Crisp, Catrina C; Fellner, Angela N; Jackson, Christopher; Kleeman, Steven D; Pavelka, James

2013-01-01

The objective of this study was to compare the effect of virtual reality simulation training plus robotic orientation versus robotic orientation alone on performance of surgical tasks using an inanimate model. Surgical resident physicians were enrolled in this assessor-blinded randomized controlled trial. Residents were randomized to receive either (1) robotic virtual reality simulation training plus standard robotic orientation or (2) standard robotic orientation alone. Performance of surgical tasks was assessed at baseline and after the intervention. Nine of 33 modules from the da Vinci Skills Simulator were chosen. Experts in robotic surgery evaluated each resident's videotaped performance of the inanimate model using the Global Rating Scale (GRS) and Objective Structured Assessment of Technical Skills-modified for robotic-assisted surgery (rOSATS). Nine resident physicians were enrolled in the simulation group and 9 in the control group. As a whole, participants improved their total time, time to incision, and suture time from baseline to repeat testing on the inanimate model (P = 0.001, 0.003, <0.001, respectively). Both groups improved their GRS and rOSATS scores significantly (both P < 0.001); however, the GRS overall pass rate was higher in the simulation group compared with the control group (89% vs 44%, P = 0.066). Standard robotic orientation and/or robotic virtual reality simulation improve surgical skills on an inanimate model, although this may be a function of the initial "practice" on the inanimate model and repeat testing of a known task. However, robotic virtual reality simulation training increases GRS pass rates consistent with improved robotic technical skills learned in a virtual reality environment.

Motivation and Cognition: The Impact of Ego and Task-Involvement on Levels of Processing.

ERIC Educational Resources Information Center

Golan, Shari; Graham, Sandra

To study the effects of motivation on cognition, 55 fifth- and sixth-grade students were randomly assigned to 3 motivational treatment groups: (1) ego-involved (ability oriented); (2) task-involved (mastery oriented); and (3) control (no orientation). The ego-involvement treatment attempted to make subjects feel that their abilities on the tasks…

Comparison of cell behavior on pva/pva-gelatin electrospun nanofibers with random and aligned configuration

NASA Astrophysics Data System (ADS)

Huang, Chen-Yu; Hu, Keng-Hsiang; Wei, Zung-Hang

2016-12-01

Electrospinning technique is able to create nanofibers with specific orientation. Poly(vinyl alcohol) (PVA) have good mechanical stability but poor cell adhesion property due to the low affinity of protein. In this paper, extracellular matrix, gelatin is incorporated into PVA solution to form electrospun PVA-gelatin nanofibers membrane. Both randomly oriented and aligned nanofibers are used to investigate the topography-induced behavior of fibroblasts. Surface morphology of the fibers is studied by optical microscopy and scanning electron microscopy (SEM) coupled with image analysis. Functional group composition in PVA or PVA-gelatin is investigated by Fourier Transform Infrared (FTIR). The morphological changes, surface coverage, viability and proliferation of fibroblasts influenced by PVA and PVA-gelatin nanofibers with randomly orientated or aligned configuration are systematically compared. Fibroblasts growing on PVA-gelatin fibers show significantly larger projected areas as compared with those cultivated on PVA fibers which p-value is smaller than 0.005. Cells on PVA-gelatin aligned fibers stretch out extensively and their intracellular stress fiber pull nucleus to deform. Results suggest that instead of the anisotropic topology within the scaffold trigger the preferential orientation of cells, the adhesion of cell membrane to gelatin have substantial influence on cellular behavior.

Limited capacity of working memory in unihemispheric random walks implies conceivable slow dispersal.

PubMed

Wei, Kun; Zhong, Suchuan

2017-08-01

Phenomenologically inspired by dolphins' unihemispheric sleep, we introduce a minimal model for random walks with physiological memory. The physiological memory consists of long-term memory which includes unconscious implicit memory and conscious explicit memory, and working memory which serves as a multi-component system for integrating, manipulating and managing short-term storage. The model assumes that the sleeping state allows retrievals of episodic objects merely from the episodic buffer where these memory objects are invoked corresponding to the ambient objects and are thus object-oriented, together with intermittent but increasing use of implicit memory in which decisions are unconsciously picked up from historical time series. The process of memory decay and forgetting is constructed in the episodic buffer. The walker's risk attitude, as a product of physiological heuristics according to the performance of objected-oriented decisions, is imposed on implicit memory. The analytical results of unihemispheric random walks with the mixture of object-oriented and time-oriented memory, as well as the long-time behavior which tends to the use of implicit memory, are provided, indicating the common sense that a conservative risk attitude is inclinable to slow movement.

Probing defect states in polycrystalline GaN grown on Si(111) by sub-bandgap laser-excited scanning tunneling spectroscopy

NASA Astrophysics Data System (ADS)

Hsiao, F.-M.; Schnedler, M.; Portz, V.; Huang, Y.-C.; Huang, B.-C.; Shih, M.-C.; Chang, C.-W.; Tu, L.-W.; Eisele, H.; Dunin-Borkowski, R. E.; Ebert, Ph.; Chiu, Y.-P.

2017-01-01

We demonstrate the potential of sub-bandgap laser-excited cross-sectional scanning tunneling microscopy and spectroscopy to investigate the presence of defect states in semiconductors. The characterization method is illustrated on GaN layers grown on Si(111) substrates without intentional buffer layers. According to high-resolution transmission electron microscopy and cathodoluminescence spectroscopy, the GaN layers consist of nanoscale wurtzite and zincblende crystallites with varying crystal orientations and hence contain high defect state densities. In order to discriminate between band-to-band excitation and defect state excitations, we use sub-bandgap laser excitation. We probe a clear increase in the tunnel current at positive sample voltages during sub-bandgap laser illumination for the GaN layer with high defect density, but no effect is found for high quality GaN epitaxial layers. This demonstrates the excitation of free charge carriers at defect states. Thus, sub-bandgap laser-excited scanning tunneling spectroscopy is a powerful complimentary characterization tool for defect states.

Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials

DOE PAGES

MacDonald, M. J.; Vorberger, J.; Gamboa, E. J.; ...

2016-06-07

Calculations of Debye-Scherrer diffraction patterns from polycrystalline materials have typically been done in the limit of small deviatoric stresses. Although these methods are well suited for experiments conducted near hydrostatic conditions, more robust models are required to diagnose the large strain anisotropies present in dynamic compression experiments. A method to predict Debye-Scherrer diffraction patterns for arbitrary strains has been presented in the Voigt (iso-strain) limit. Here, we present a method to calculate Debye-Scherrer diffraction patterns from highly stressed polycrystalline samples in the Reuss (iso-stress) limit. This analysis uses elastic constants to calculate lattice strains for all initial crystallite orientations, enablingmore » elastic anisotropy and sample texture effects to be modeled directly. Furthermore, the effects of probing geometry, deviatoric stresses, and sample texture are demonstrated and compared to Voigt limit predictions. An example of shock-compressed polycrystalline diamond is presented to illustrate how this model can be applied and demonstrates the importance of including material strength when interpreting diffraction in dynamic compression experiments.« less

Low-cost growth of magnesium doped gallium nitride thin films by sol-gel spin coating method

NASA Astrophysics Data System (ADS)

Amin, N. Mohd; Ng, S. S.

2018-01-01

Low-cost sol-gel spin coating growth of magnesium (Mg) doped gallium nitride (GaN) thin films with different concentrations of Mg was reported. The effects of the Mg concentration on the structural, surface morphology, elemental compositions, lattice vibrational, and electrical properties of the deposited films were investigated. X-ray diffraction results show that the Mg-doped samples have wurtzite structure with preferred orientation of GaN(002). The crystallite size decreases and the surface of the films with pits/pores were formed, while the crystalline quality of the films degraded as the Mg concentration increases from 2% to 6. %. All the Raman active phonon modes of the wurtzite GaN were observed while a broad peak attributed to the Mg-related lattice vibrational mode was detected at 669 cm-1. Hall effect results show that the resistivity of the thin films decreases while the hole concentration and hall mobility of thin films increases as the concentration of the Mg increases.

Structural and optical properties of electron-beam-evaporated ZnSe 1- x Te x Ternary compounds with various Te contents

NASA Astrophysics Data System (ADS)

Suthagar, J.; Suthan Kissinger, N. J.; Sharli Nath, G. M.; Perumal, K.

2014-01-01

ZnSe1- x Te x films with different tellurium (Te) contents were deposited by using an electron beam (EB) evaporation technique onto glass substrates for applications to optoelectronic devices. The structural and the optical properties of the ZnSe1- x Te x films were studied in the present work. The host material ZnSe1- x Te x , were prepared by using the physical vapor deposition method of the electron beam evaporation technique (PVD: EBE) under a pressure of 1 × 10-5 mbar. The X-ray diffractogram indicated that these alloy films had cubic structure with a strong preferential orientation of the crystallites along the (1 1 1) direction. The optical properties showed that the band gap (E g ) values varied from 2.73 to 2.41 eV as the tellurium content varied from 0.2 to 0.8. Thus the material properties can be altered and excellently controlled by controlling the system composition x.

Effect of solvent volume on the physical properties of aluminium doped nanocrystalline zinc oxide thin films deposited using a simplified spray pyrolysis technique

NASA Astrophysics Data System (ADS)

Jabena Begum, N.; Mohan, R.; Ravichandran, K.

2013-01-01

Aluminium doped zinc oxide (AZO) thin films were deposited by employing a low cost and simplified spray technique using a perfume atomizer from starting solutions having different volumes (10, 20, … , 50 mL) of solvent. The effect of solvent volume on the structural, electrical, optical, photoluminescence (PL) and surface morphological properties was studied. The electrical resistivity of the AZO films is remarkably influenced by the variation in the solvent volume. The X-ray diffraction profiles clearly showed that all the films have preferential orientation along the (0 0 2) plane irrespective of the solvent volume. The crystallite size was found to be in the nano range of 35-46 nm. The optical transmittance in the visible region is desirably high (>85%). The AFM images show columnar morphology with varying grain size. The PL studies revealed that the AZO film deposited from 50 mL of solvent volume has good quality with lesser defect density.

Stability of the sectored morphology of polymer crystallites

NASA Astrophysics Data System (ADS)

Alageshan, Jaya Kumar; Hatwalne, Yashodhan; Muthukumar, Murugappan

2016-09-01

When an entangled interpenetrating collection of long flexible polymer chains dispersed in a suitable solvent is cooled to low enough temperatures, thin lamellar crystals form. Remarkably, these lamellae are sectored, with several growth sectors that have differing melting temperatures and growth kinetics, eluding so far an understanding of their origins. We present a theoretical model to explain this six-decade-old challenge by addressing the elasticity of fold surfaces of finite-sized lamella in the presence of disclination-type topological defects arising from anisotropic line tension. Entrapment of a disclination defect in a lamella results in sectors separated by walls, which are soliton solutions of a two-dimensional elliptic sine-Gordon equation. For flat square morphologies, exact results show that sectored squares are more stable than plain squares if the dimensionless anisotropic line tension parameter α =γa n/√{h4Kϕ } (γa n = anisotropic line tension, h4 = fold energy parameter, Kϕ = elastic constant for two-dimensional orientational deformation) is above a critical value, which depends on the size of the square.

Hybrid Perovskite/Perovskite Heterojunction Solar Cells.

PubMed

Hu, Yinghong; Schlipf, Johannes; Wussler, Michael; Petrus, Michiel L; Jaegermann, Wolfram; Bein, Thomas; Müller-Buschbaum, Peter; Docampo, Pablo

2016-06-28

Recently developed organic-inorganic hybrid perovskite solar cells combine low-cost fabrication and high power conversion efficiency. Advances in perovskite film optimization have led to an outstanding power conversion efficiency of more than 20%. Looking forward, shifting the focus toward new device architectures holds great potential to induce the next leap in device performance. Here, we demonstrate a perovskite/perovskite heterojunction solar cell. We developed a facile solution-based cation infiltration process to deposit layered perovskite (LPK) structures onto methylammonium lead iodide (MAPI) films. Grazing-incidence wide-angle X-ray scattering experiments were performed to gain insights into the crystallite orientation and the formation process of the perovskite bilayer. Our results show that the self-assembly of the LPK layer on top of an intact MAPI layer is accompanied by a reorganization of the perovskite interface. This leads to an enhancement of the open-circuit voltage and power conversion efficiency due to reduced recombination losses, as well as improved moisture stability in the resulting photovoltaic devices.

Neodymium cobalt oxide as a chemical sensor

NASA Astrophysics Data System (ADS)

Abdel-Latif, I. A.; Rahman, Mohammed M.; Khan, Sher Bahadar

2018-03-01

Chemical sensing and electrical transport properties of neodymium coblate, NdCoO3, was investigated in this work. It was prepared by using co-precipitation method. Pure neodymium chloride and cobalt chloride were mixing in the presence of sodium hydroxide and the obtained co-precipitated powder was calcined at 850 and 1000 °C. The synthesized composites, as-grown (NdCoO3-I), calcined at 850 °C (NdCoO3-II), and calcined at 1000 °C (NdCoO3-III) were studied in details in terms of their morphological and structural properties. The X-ray analysis confirmed that the synthesized products are well crystalline possessing single phase orthorhombic crystal system of space group Pbnm(62). The crystallite size of NdCoO3-I, NdCoO3-II, and NdCoO3-III is 22, 111, and 338 nm, respectively which reflect that crystallite size is increasing with increase in firing temperature. The DC resistivity was measured as a function of temperature in the temperature range from room temperature up to 200 °C. All NdCoO3 are semiconductor in this range of temperature but showed different activation energy which strongly depends on the crystallite size of the products. The activation energy decreased with increase in crystallite size, 0.798, 0.414 and 0.371 eV for NdCoO3-I, NdCoO3-II, and NdCoO3-III, respectively. Thus resistivity increases with increase in crystallite size of NdCoO3. All NdCoO3 products were tested as chemical sensor for acetone by electrochemical approaches and showed excellent sensitivity. Among the NdCoO3 samples, NdCoO3-III showed the highest sensitivity (3.4722 μAcm-2 mM-1) compared to other compositions and gradually decreased to 3.2407 μAcm-2 mM-1 with decreasing the crystallite size of NdCoO3-II. It is also observed that the sensitivity drastically decreased to 0.76253 μAcm-2 mM-1 in the case of NdCoO3-I. It is introduced an efficient route for the detection of environmental unsafe chemicals by electrochemical approach for the safety of healthcare and environmental fields in broad scales.

Realignment of Nanocrystal Aggregates into Single Crystals as a Result of Inherent Surface Stress

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Zhaoming; Pan, Haihua; Zhu, Genxing

2016-07-19

Assembly of nanoparticles building blocks during single crystal growth is widely observed in both natural and synthetic environments. Although this form of non-classical crystallization is generally described by oriented attachment, random aggregation of building blocks leading to single crystal products is also observed, but the mechanism of crystallographic realignment is unknown. We herein reveal that random attachment during aggregation-based growth initially produces a non-oriented growth front. Subsequent evolution of the orientation is driven by the inherent surface stress applied by the disordered surface layer and results in single crystal formation via grain boundary migration. This mechanism is corroborated by measurementsmore » of orientation rate vs external stress, demonstrating a predictive relationship between the two. These findings advance our understanding of aggregation-based growth of natural minerals by nanocrystals, and suggest an approach to material synthesis that takes advantage of stress induced co-alignment.« less

Accelerometry Measuring the Outcome of Robot-Supported Upper Limb Training in Chronic Stroke: A Randomized Controlled Trial

PubMed Central

Lemmens, Ryanne J. M.; Timmermans, Annick A. A.; Janssen-Potten, Yvonne J. M.; Pulles, Sanne A. N. T. D.; Geers, Richard P. J.; Bakx, Wilbert G. M.; Smeets, Rob J. E. M.; Seelen, Henk A. M.

2014-01-01

Purpose This study aims to assess the extent to which accelerometers can be used to determine the effect of robot-supported task-oriented arm-hand training, relative to task-oriented arm-hand training alone, on the actual amount of arm-hand use of chronic stroke patients in their home situation. Methods This single-blind randomized controlled trial included 16 chronic stroke patients, randomly allocated using blocked randomization (n = 2) to receive task-oriented robot-supported arm-hand training or task-oriented (unsupported) arm-hand training. Training lasted 8 weeks, 4 times/week, 2×30 min/day using the (T-)TOAT ((Technology-supported)-Task-Oriented-Arm-Training) method. The actual amount of arm-hand use, was assessed at baseline, after 8 weeks training and 6 months after training cessation. Duration of use and intensity of use of the affected arm-hand during unimanual and bimanual activities were calculated. Results Duration and intensity of use of the affected arm-hand did not change significantly during and after training, with or without robot-support (i.e. duration of use of unimanual use of the affected arm-hand: median difference of −0.17% in the robot-group and −0.08% in the control group between baseline and after training cessation; intensity of the affected arm-hand: median difference of 3.95% in the robot-group and 3.32% in the control group between baseline and after training cessation). No significant between-group differences were found. Conclusions Accelerometer data did not show significant changes in actual amount of arm-hand use after task-oriented training, with or without robot-support. Next to the amount of use, discrimination between activities performed and information about quality of use of the affected arm-hand are essential to determine actual arm-hand performance. Trial Registration Controlled-trials.com ISRCTN82787126 PMID:24823925

Algebraic Approximations to Extinction from Randomly Oriented Circular and Elliptical Cylinders

DTIC Science & Technology

1995-06-01

amplitude (Ref. 3). The strict limit of validity of the formula is therefore the region where ( n - 1) < < 1. The cylinder is in effect treated as a slit... cylinders , l¢1x = 2Im -1lx << 1. This occurs since what we have been calling an edge effect is in fact the field distortion around the boundaries of the...ALGERBRAIC APPROXIMATIONS TO EXTINCTION FROM RANDOMLY ORIENTED CIRCULAR AND ELLIPTICAL CYLINDERS system Number: Patron Number: Requester: Notes

Scanning electron microscopy of clays and clay minerals

USGS Publications Warehouse

Bohor, B.F.; Hughes, R.E.

1971-01-01

The scanning electron microscope (SEM) proves to be ideally suited for studying the configuration, texture, and fabric of clay samples. Growth mechanics of crystalline units—interpenetration and interlocking of crystallites, crystal habits, twinning, helical growth, and topotaxis—also are uniquely revealed by the SEM.Authigenic kaolins make up the bulk of the examples because their larger crystallite size, better crystallinity, and open texture make them more suited to examination by the SEM than most other clay mineral types.

Regulation of Dental Enamel Shape and Hardness

PubMed Central

Simmer, J.P.; Papagerakis, P.; Smith, C.E.; Fisher, D.C.; Rountrey, A.N.; Zheng, L.; Hu, J.C.-C.

2010-01-01

Epithelial-mesenchymal interactions guide tooth development through its early stages and establish the morphology of the dentin surface upon which enamel will be deposited. Starting with the onset of amelogenesis beneath the future cusp tips, the shape of the enamel layer covering the crown is determined by five growth parameters: the (1) appositional growth rate, (2) duration of appositional growth (at the cusp tip), (3) ameloblast extension rate, (4) duration of ameloblast extension, and (5) spreading rate of appositional termination. Appositional growth occurs at a mineralization front along the ameloblast distal membrane in which amorphous calcium phosphate (ACP) ribbons form and lengthen. The ACP ribbons convert into hydroxyapatite crystallites as the ribbons elongate. Appositional growth involves a secretory cycle that is reflected in a series of incremental lines. A potentially important function of enamel proteins is to ensure alignment of successive mineral increments on the tips of enamel ribbons deposited in the previous cycle, causing the crystallites to lengthen with each cycle. Enamel hardens in a maturation process that involves mineral deposition onto the sides of existing crystallites until they interlock with adjacent crystallites. Neutralization of acidity generated by hydroxyapatite formation is a key part of the mechanism. Here we review the growth parameters that determine the shape of the enamel crown as well as the mechanisms of enamel appositional growth and maturation. PMID:20675598

Hydrothermal preparation of blue molybdenum bronze nanoribbons: structural changes in mother crystals, related to solid-state conversion and crystallite splitting to nanomorphology

NASA Astrophysics Data System (ADS)

Nishida, Takamasa; Eda, Kazuo

2018-02-01

Hydrothermal syntheses of alkali-metal blue molybdenum bronze nanoribbons, which are expected to exhibit unique properties induced by a combined effect of extrinsic and intrinsic low-dimensionalities, from hydrated-alkali-metal molybdenum bronzes were investigated. Nanoribbons grown along the quasi-one-dimensional (1D) conductive direction of Cs0.3MoO3, which is difficult to prepare by the conventional methods, were first synthesized. The nanomorphology formation is achieved by a solid-state conversion (or crystallite splitting) and subsequent crystallite growth, and the structural changes of the starting material related to the conversion were first observed by powder X-ray diffraction and scanning transmission electron microscopy as a result of finely tuned reaction system and preparation conditions. The structural changes were analyzed by model simulations and were attributed to the structural modulations that were concerned with the intralayer packing disorder and with two-dimensional long-range ordered structure, formed in MoO3 sheets of the hydrated molybdenum bronze. Moreover, the modulations were related to displacement defects of the Mo-O framework units generated along the [100] direction in the hydrated molybdenum bronze. Then, it was suggested that the solid-state conversion into blue molybdenum bronze and the crystallite splitting to nanomorphology were initiated by the breaking of the Mo-O-Mo bonds at the defects. [Figure not available: see fulltext.

Noninvasive in situ observation of the crystallization kinetics of biological macromolecules by confocal laser scanning microscopy.

PubMed

Mühlig, P; Klupsch, Th; Kaulmann, U; Hilgenfeld, R

2003-04-01

High-resolution confocal laser scanning microscopy (CLSM) is a powerful tool for in situ observation and analysis of protein crystal growth kinetics. Because the resolution of CLSM is not diffraction-limited by the object, it is possible to visualize, under certain conditions, objects in molecular dimensions. A modified batch technique is applied which allows the growth kinetics of sufficiently small crystallites fixed at the lower side of a cover glass, within a hanging drop, to be studied in reflected light near the total reflection angle. A gap, or cavity, filled with solution is formed between the cover glass and the upper crystal face, which acts to fix small crystallites by hydrodynamic friction forces. The cavity height enables the propagation of molecular steps across the upper crystal face without constraint, so that the propagation velocity and geometrical parameters can be measured by CLSM. The layer growth kinetics of monoclinic crystallites of a long-acting insulin derivative (Insulin Glargine) is investigated. For a twofold supersaturation of the solution, the growth is governed by 2D nucleation at the edges of the crystallites followed by a spreading of molecular steps. The layer growth kinetics are well fitted by the simple cubic kinetic lattice model. We find that only about one of a thousand solute (protein) molecules which push a kink place due to their Brownian motion becomes really incorporated into the growing crystal.

Zinc-Containing Restorations Create Amorphous Biogenic Apatite at the Carious Dentin Interface: A X-Ray Diffraction (XRD) Crystal Lattice Analysis.

PubMed

Toledano, Manuel; Aguilera, Fátima S; López-López, Modesto T; Osorio, Estrella; Toledano-Osorio, Manuel; Osorio, Raquel

2016-10-01

The aim of this research was to assess the ability of amalgam restorations to induce amorphous mineral precipitation at the caries-affected dentin substrate. Sound and caries-affected dentin surfaces were subjected to both Zn-free and Zn-containing dental amalgam restorations. Specimens were submitted to thermocycling (100,000 cycles/5°C-55°C, 3 months). Dentin surfaces were studied by atomic force microscopy (nanoroughness), X-ray diffraction, field emission scanning electron microscopy, and energy-dispersive analysis, for physical and morphological surface characterization. Zn-containing amalgam placement reduced crystallinity, crystallite size, and grain size of calcium phosphate crystallites at the dentin surface. Both microstrain and nanoroughness were augmented in caries-affected dentin restored with Zn-containing amalgams. Caries-affected dentin showed the shortest mineral crystallites (11.04 nm), when Zn-containing amalgams were used for restorations, probably leading to a decrease of mechanical properties which might favor crack propagation and deformation. Sound dentin restored with Zn-free amalgams exhibited a substantial increase in length of grain particles (12.44 nm) embedded into dentin crystallites. Zn-containing amalgam placement creates dentin mineralization and the resultant mineral was amorphous in nature. Amorphous calcium phosphate provides a local ion-rich environment, which is considered favorable for in situ generation of prenucleation clusters, promotong further dentin remineralization.

Nucleation and growth of single layer graphene on electrodeposited Cu by cold wall chemical vapor deposition

NASA Astrophysics Data System (ADS)

Das, Shantanu; Drucker, Jeff

2017-03-01

The nucleation density and average size of graphene crystallites grown using cold wall chemical vapor deposition (CVD) on 4 μm thick Cu films electrodeposited on W substrates can be tuned by varying growth parameters. Growth at a fixed substrate temperature of 1000 °C and total pressure of 700 Torr using Ar, H2 and CH4 mixtures enabled the contribution of total flow rate, CH4:H2 ratio and dilution of the CH4/H2 mixture by Ar to be identified. The largest variation in nucleation density was obtained by varying the CH4:H2 ratio. The observed morphological changes are analogous to those that would be expected if the deposition rate were varied at fixed substrate temperature for physical deposition using thermal evaporation. The graphene crystallite boundary morphology progresses from irregular/jagged through convex hexagonal to regular hexagonal as the effective C deposition rate decreases. This observation suggests that edge diffusion of C atoms along the crystallite boundaries, in addition to H2 etching, may contribute to shape evolution of the graphene crystallites. These results demonstrate that graphene grown using cold wall CVD follows a nucleation and growth mechanism similar to hot wall CVD. As a consequence, the vast knowledge base relevant to hot wall CVD may be exploited for graphene synthesis by the industrially preferable cold wall method.

Separating the Laparoscopic Camera Cord From the Monopolar "Bovie" Cord Reduces Unintended Thermal Injury From Antenna Coupling: A Randomized Controlled Trial.

PubMed

Robinson, Thomas N; Jones, Edward L; Dunn, Christina L; Dunne, Bruce; Johnson, Elizabeth; Townsend, Nicole T; Paniccia, Alessandro; Stiegmann, Greg V

2015-06-01

The monopolar "Bovie" is used in virtually every laparoscopic operation. The active electrode and its cord emit radiofrequency energy that couples (or transfers) to nearby conductive material without direct contact. This phenomenon is increased when the active electrode cord is oriented parallel to another wire/cord. The parallel orientation of the "Bovie" and laparoscopic camera cords cause transfer of energy to the camera cord resulting in cutaneous burns at the camera trocar incision. We hypothesized that separating the active electrode/camera cords would reduce thermal injury occurring at the camera trocar incision in comparison to parallel oriented active electrode/camera cords. In this prospective, blinded, randomized controlled trial, patients undergoing standardized laparoscopic cholecystectomy were randomized to separated active electrode/camera cords or parallel oriented active electrode/camera cords. The primary outcome variable was thermal injury determined by histology from skin biopsied at the camera trocar incision. Eighty-four patients participated. Baseline demographics were similar in the groups for age, sex, preoperative diagnosis, operative time, and blood loss. Thermal injury at the camera trocar incision was lower in the separated versus parallel group (31% vs 57%; P = 0.027). Separation of the laparoscopic camera cord from the active electrode cord decreases thermal injury from antenna coupling at the camera trocar incision in comparison to the parallel orientation of these cords. Therefore, parallel orientation of these cords (an arrangement promoted by integrated operating rooms) should be abandoned. The findings of this study should influence the operating room setup for all laparoscopic cases.

Texture and anisotropy in ferroelectric lead metaniobate

NASA Astrophysics Data System (ADS)

Iverson, Benjamin John

Ferroelectric lead metaniobate, PbNb2O6, is a piezoelectric ceramic typically used because of its elevated Curie temperature and anisotropic properties. However, the piezoelectric constant, d33, is relatively low in randomly oriented ceramics when compared to other ferroelectrics. Crystallographic texturing is often employed to increase the piezoelectric constant because the spontaneous polarization axes of grains are better aligned. In this research, crystallographic textures induced through tape casting are distinguished from textures induced through electrical poling. Texture is described using multiple quantitative approaches utilizing X-ray and neutron time-of-flight diffraction. Tape casting lead metaniobate with an inclusion of acicular template particles induces an orthotropic texture distribution. Templated grain growth from seed particles oriented during casting results in anisotropic grain structures. The degree of preferred orientation is directly linked to the shear behavior of the tape cast slurry. Increases in template concentration, slurry viscosity, and casting velocity lead to larger textures by inducing more particle orientation in the tape casting plane. The maximum 010 texture distributions were two and a half multiples of a random distribution. Ferroelectric texture was induced by electrical poling. Electric poling increases the volume of material oriented with the spontaneous polarization direction in the material. Samples with an initial paraelectric texture exhibit a greater change in the domain volume fraction during electrical poling than randomly oriented ceramics. In tape cast samples, the resulting piezoelectric response is proportional to the 010 texture present prior to poling. This results in property anisotropy dependent on initial texture. Piezoelectric properties measured on the most textured ceramics were similar to those obtained with a commercial standard.

Depth profiling of high energy nitrogen ions implanted in the <1 0 0>, <1 1 0> and randomly oriented silicon crystals

NASA Astrophysics Data System (ADS)

Erić, M.; Petrović, S.; Kokkoris, M.; Lagoyannis, A.; Paneta, V.; Harissopulos, S.; Telečki, I.

2012-03-01

This work reports on the experimentally obtained depth profiles of 4 MeV 14N2+ ions implanted in the <1 0 0>, <1 1 0> and randomly oriented silicon crystals. The ion fluence was 1017 particles/cm2. The nitrogen depth profiling has been performed using the Nuclear Reaction Analysis (NRA) method, via the study of 14N(d,α0)12C and 14N(d,α1)12C nuclear reactions, and with the implementation of SRIM 2010 and SIMNRA computer simulation codes. For the randomly oriented silicon crystal, change of the density of silicon matrix and the nitrogen "bubble" formation have been proposed as the explanation for the difference between the experimental and simulated nitrogen depth profiles. During the implantation, the RBS/C spectra were measured on the nitrogen implanted and on the virgin crystal spots. These spectra provide information on the amorphization of the silicon crystals induced by the ion implantation.

Internal Stress and Microstructure of Zinc Oxide Films Sputter-Deposited with Carbon Dioxide Gas

NASA Astrophysics Data System (ADS)

Toru Ashida,; Kazuhiro Kato,; Hideo Omoto,; Atsushi Takamatsu,

2010-06-01

The internal stress and microstructure of ZnO films were investigated as a function of carbon dioxide (CO2) gas flow ratio [CO2/(O2+CO2)] during sputter deposition. The internal stress of the ZnO films decreased with increasing CO2 gas flow ratio. The carbon concentration in the films deposited using CO2 gas increased by up to 4.0 at. %. Furthermore, the ZnO films deposited without CO2 gas exhibited a preferred orientation of (002); however, the C-doped ZnO films exhibited random orientations. These findings suggest that the C atoms incorporated in the ZnO crystal lattice induce this random orientation, thereby relaxing the internal stress of C-doped ZnO films.

Method and apparatus for nucleating the crystallization of undercooled materials

DOEpatents

Benson, David K.; Barret, Peter F.

1989-01-01

A method of storing and controlling a release of latent heat of transition of a phase-change material is disclosed. The method comprises trapping a crystallite of the material between two solid objects and retaining it there under high pressure by applying a force to press the two solid objects tightly together. A crystallite of the material is exposed to a quantity of the material that is in a supercooled condition to nucleate the crystallization of the supercooled material.

Distribution of Orientation Selectivity in Recurrent Networks of Spiking Neurons with Different Random Topologies

PubMed Central

Sadeh, Sadra; Rotter, Stefan

2014-01-01

Neurons in the primary visual cortex are more or less selective for the orientation of a light bar used for stimulation. A broad distribution of individual grades of orientation selectivity has in fact been reported in all species. A possible reason for emergence of broad distributions is the recurrent network within which the stimulus is being processed. Here we compute the distribution of orientation selectivity in randomly connected model networks that are equipped with different spatial patterns of connectivity. We show that, for a wide variety of connectivity patterns, a linear theory based on firing rates accurately approximates the outcome of direct numerical simulations of networks of spiking neurons. Distance dependent connectivity in networks with a more biologically realistic structure does not compromise our linear analysis, as long as the linearized dynamics, and hence the uniform asynchronous irregular activity state, remain stable. We conclude that linear mechanisms of stimulus processing are indeed responsible for the emergence of orientation selectivity and its distribution in recurrent networks with functionally heterogeneous synaptic connectivity. PMID:25469704

Electron microscopy of carbonaceous matter in Allende acid residues

NASA Technical Reports Server (NTRS)

Lumpkin, G. R.

1982-01-01

On the basis of characteristic diffuse ring diffraction patterns, much of the carbonaceous matter in a large suite of Allende acid residues has been identified as a variety of turbostratic carbon. Crystallites of this phase contain randomly stacked sp(2) hybridized carbon layers and diffraction patterns resemble those from carbon black and glassy carbon. Carbynes are probably absent, and are certainly restricted to less than 0.5% of these acid residues. The work of Ott et al. (1981) provides a basis for the possibility that turbostratic carbon is a carrier of noble gases, but an additional component - amorphous carbon - may be necessary to explain the high release temperatures of noble gases as well as the glassy character of many of the carbonaceous particles. Carbynes are considered to be questionable as important carriers of noble gases in the Allende acid residues.

Synthesis and Structural Characterization of CdFe2O4 Nanostructures

NASA Astrophysics Data System (ADS)

Kalpanadevi, K.; Sinduja, C. R.; Manimekalai, R.

The synthesis of CdFe2O4 nanoparticles has been achieved by a simple thermal decomposition method from the inorganic precursor, [CdFe2(cin)3(N2H4)3], which was obtained by a simple precipitation method from the corresponding metal salts, cinnamic acid and hydrazine hydrate. The precursor was characterized by hydrazine and metal analyses, infrared spectral analysis and thermo gravimetric analysis. On appropriate annealing, [CdFe2(cin)3(N2H4)3] yielded CdFe2O4 nanoparticles. The XRD studies showed that the crystallite size of the particles was 13nm. The results of HRTEM studies also agreed well with those of XRD. SAED pattern of the sample established the polycrystalline nature of the nanoparticles. SEM images displayed a random distribution of grains in the sample.

Orientation of Hittite Monuments

NASA Astrophysics Data System (ADS)

González-García, A. César; Belmonte, Juan Antonio

The possible astronomical or topographical orientations of the Hittite monuments of the Bronze Age has remained unexplored until recently. This would provide an important insight into how temporality was imprinted by this culture in sacred spaces and in the landscape. The authors' analysis of a statistically significant sample of Hittite temples - and a few monumental gates - has demonstrated that ancient Hittite monuments were not randomly orientated as previously thought. On the contrary, there were well-defined patterns of orientation that can be interpreted within the context of Hittite culture and religion.

Development of a Model Competency-Based Orientation Program

DTIC Science & Technology

1988-05-01

S. (1938). Basic writings of Sigmund Freud . New York: Random House. Hagerty, B.K. (1986). A competency-based orientation program for psychiatric...education, and nursing will be presented. • ..... Beginning with the field of psychology, Freud (1938) described motivation using the concept of psychic...Gosnell, D.J. (1987). Comparing two methods of hospital orientation for cost effective- ness. Journal of Nursing Staff Development, 3 , 3-8. Freud

XRD analysis of undoped and Fe doped TiO{sub 2} nanoparticles by Williamson Hall method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bharti, Bandna; Barman, P. B.; Kumar, Rajesh, E-mail: rajesh.kumar@juit.ac.in

2015-08-28

Undoped and Fe doped titanium dioxide (TiO{sub 2}) nanoparticles were synthesized by sol-gel method at room temperature. The synthesized samples were annealed at 500°C. For structural analysis, the prepared samples were characterized by X-ray diffraction (XRD). The crystallite size of TiO{sub 2} and Fe doped TiO{sub 2} nanoparticles were calculated by Scherer’s formula, and was found to be 15 nm and 11 nm, respectively. Reduction in crystallite size of TiO{sub 2} with Fe doping was observed. The anatase phase of Fe-doped TiO{sub 2} nanoparticles was also confirmed by X-ray diffraction. By using Williamson-Hall method, lattice strain and crystallite size weremore » also calculated. Williamson–Hall plot indicates the presence of compressive strain for TiO{sub 2} and tensile strain for Fe-TiO{sub 2} nanoparticles annealed at 500°C.« less

Study on the corrosion properties of nanocrystalline nickel electrodepositied by reverse pulse current

NASA Astrophysics Data System (ADS)

Cheng, Wen; Ge, Wen; Yang, Qian; Qu, Xinxin

2013-07-01

Nanocrystalline nickel coatings were produced by the method of reverse pulse electrodepositing on the surface of steel sheets. The crystallite size of nanocrystalline nickel coatings was determined by X-ray diffraction (XRD). The effect of saccharin concentration on the crystallite size of the coatings was studied. The average crystallite sizes were diminished as a result of increasing saccharin concentration. CHI660C electrochemical workstation was used to determine the Tafel polarization curves and electrochemical impedance spectroscopy (EIS) of the coatings. The value of corrosion potential, natural corrosion current density, polarizaiton resistance and impedance was calculated, the results suggested that smaller grain size led to higher polarization resistance. EIS gave the charge transfer resistance Rct and pore resistance Rpo variation trend from beginning to 30 min. Scanning electron microscopy (SEM) examination showed the surface morphology of the nickel coatings after the neutral salt spray (NSS) test or bathing in 10% HCl. The images indicated that the corrosion behavior of nanocrystalline nickel coatings was pitting corrosion, the mechanism was also discussed.

Template-mediated nano-crystallite networks in semiconducting polymers.

PubMed

Kwon, Sooncheol; Yu, Kilho; Kweon, Kyoungchun; Kim, Geunjin; Kim, Junghwan; Kim, Heejoo; Jo, Yong-Ryun; Kim, Bong-Joong; Kim, Jehan; Lee, Seoung Ho; Lee, Kwanghee

2014-06-18

Unlike typical inorganic semiconductors with a crystal structure, the charge dynamics of π-conjugated polymers (π-CPs) are severely limited by the presence of amorphous portions between the ordered crystalline regions. Thus, the formation of interconnected pathways along crystallites of π-CPs is desired to ensure highly efficient charge transport in printable electronics. Here we report the formation of nano-crystallite networks in π-CP films by employing novel template-mediated crystallization (TMC) via polaron formation and electrostatic interaction. The lateral and vertical charge transport of TMC-treated films increased by two orders of magnitude compared with pristine π-CPs. In particular, because of the unprecedented room temperature and solution-processing advantages of our TMC method, we achieve a field-effect mobility of 0.25 cm(2) V(-1) s(-1) using a plastic substrate, which corresponds to the highest value reported thus far. Because our findings can be applied to various π-conjugated semiconductors, our approach is universal and is expected to yield high-performance printable electronics.

Influence of the hydrothermal temperature and pH on the crystallinity of a sputtered hydroxyapatite film

NASA Astrophysics Data System (ADS)

Ozeki, K.; Aoki, H.; Masuzawa, T.

2010-09-01

Hydroxyapatite (HA) was coated onto titanium substrates using radio frequency sputtering, and the sputtered films were crystallized under hydrothermal conditions at 110-170 °C at pH values of 7.0 and 9.5. The crystallite size, the remnant film thickness, and the surface morphology of the films were observed using X-ray diffraction, energy dispersive X-ray spectroscopy, and scanning electron microscopy, respectively. The crystallite size increased with the process temperature, and reached 123.6 nm (pH 9.5 and 170 °C) after 24 h. All of the crystallite sizes of the film treated at pH 9.5 were higher than those treated at pH 7.0 at each process temperature. The film treated at pH 9.5 retained more than 90% of the initial film thickness at any process temperature. The ratio of the film treated at pH 7.0 did not reached 90% at less than 150 °C, and tended to increase with the process temperature.

[Microanalytical identification of barium sulphate crystals in statoliths of Chara rhizoids (Ch. fragilis, desv.)].

PubMed

Schröter, K; Läuchli, A; Sievers, A

1975-01-01

In contrast to the statocytes of higher plants, in which amyloplasts function as statoliths, Chara-rhizoids contain statolith vacuoles filled with biocrystallites of BaSO4. This was revealed by qualitative and quantitative electron microprobe analysis, atomic absorption spectrophotometry and selected area electron diffraction. The barium sulphate crystallites are rods which are linearly composed of globular subunits approximately 7 nm in diameter.The electron optical evidence of the crystallites depends on the nature of the fixatives. Best structural preservation was observed after fixation in a buffered solution of glutaraldehyde plus acrolein without addition of heavy metals. OsO4 and particularly KMnO4 partially dissolve the biocrystallites as well as synthetic BaSO4. The crystal solubility must be taken into consideration when micrographs of such small crystallites are interpreted.The fact that BaSO4 is chemically very inert seems to exclude biochemical interactions of the statoliths with other cell components during graviperception. It favours the theory that only the mass of the statoliths is effective.

Omitted data in randomized controlled trials for anxiety and depression: A systematic review of the inclusion of sexual orientation and gender identity.

PubMed

Heck, Nicholas C; Mirabito, Lucas A; LeMaire, Kelly; Livingston, Nicholas A; Flentje, Annesa

2017-01-01

The current study examined the frequency with which randomized controlled trials (RCTs) of behavioral and psychological interventions for anxiety and depression include data pertaining to participant sexual orientation and nonbinary gender identities. Using systematic review methodology, the databases PubMed and PsycINFO were searched to identify RCTs published in 2004, 2009, and 2014. Random selections of 400 articles per database per year (2,400 articles in total) were considered for inclusion in the review. Articles meeting inclusion criteria were read and coded by the research team to identify whether the trial reported data pertaining to participant sexual orientation and nonbinary gender identities. Additional trial characteristics were also identified and indexed in our database (e.g., sample size, funding source). Of the 232 articles meeting inclusion criteria, only 1 reported participants' sexual orientation, and zero articles included nonbinary gender identities. A total of 52,769 participants were represented in the trials, 93 of which were conducted in the United States, and 43 acknowledged the National Institutes of Health as a source of funding. Despite known mental health disparities on the basis of sexual orientation and nonbinary gender identification, researchers evaluating interventions for anxiety and depression are not reporting on these important demographic characteristics. Reporting practices must change to ensure that our interventions generalize to lesbian, gay, bisexual, and transgender persons. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

The Central Limit Theorem for Supercritical Oriented Percolation in Two Dimensions

NASA Astrophysics Data System (ADS)

Tzioufas, Achillefs

2018-04-01

We consider the cardinality of supercritical oriented bond percolation in two dimensions. We show that, whenever the the origin is conditioned to percolate, the process appropriately normalized converges asymptotically in distribution to the standard normal law. This resolves a longstanding open problem pointed out to in several instances in the literature. The result applies also to the continuous-time analog of the process, viz. the basic one-dimensional contact process. We also derive general random-indices central limit theorems for associated random variables as byproducts of our proof.

The Central Limit Theorem for Supercritical Oriented Percolation in Two Dimensions

NASA Astrophysics Data System (ADS)

Tzioufas, Achillefs

2018-06-01

We consider the cardinality of supercritical oriented bond percolation in two dimensions. We show that, whenever the the origin is conditioned to percolate, the process appropriately normalized converges asymptotically in distribution to the standard normal law. This resolves a longstanding open problem pointed out to in several instances in the literature. The result applies also to the continuous-time analog of the process, viz. the basic one-dimensional contact process. We also derive general random-indices central limit theorems for associated random variables as byproducts of our proof.

Source polarization effects in an optical fiber fluorosensor

NASA Technical Reports Server (NTRS)

Egalon, Claudio O.; Rogowski, Robert S.

1992-01-01

The exact field solution of a step-index profile fiber was used to determine the injection efficiency of a thin-film distribution of polarized sources located in the cladding of an optical fiber. Previous results for random source orientation were confirmed. The behavior of the power efficiency, P(eff), of a polarized distribution of sources was found to be similar to the behavior of a fiber with sources with random orientation. However, for sources polarized in either the x or y direction, P(eff) was found to be more efficient.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pratapa, S.; Susanti, L.; Insany, Y. A. S.

Simple coprecipitation method has been used to produce nanoparticles of MgO (magnesia), MgO{center_dot}Al{sub 2}O{sub 3}(spinel), Y{sub 2}O{sub 3}(yttria) and Fe{sub 3}O{sub 4}(ferrite). The raw materials were, in respective, magnesium powder, magnesium and aluminium powders, ytrria powder, and natural sand. The coprecipitation included the use of suitable acid and base to dissolve the powders or sand and to produce precipitates, as well as the use of water to wash and purify the precipitates, and drying at relatively low temperatures, namely lower than 100 deg. C, followed by heating at 450 deg. C, 750 deg. C, 600 deg. C and 200 deg.more » C to produce magnesia, spinel, yttria and ferrite nanopowders, respectively. X-ray diffractometry was used to characterise the purity and nanocrystallinity of the final powders. It was found qualitatively that the powders were of high purity. Further line-broadening analysis using single-line and Rietveld-based softwares was performed to reveal the nanocrystallinity of the powders. Different line breadth values were found for the powders, indicating different crystallite sizes. It was also found that, particularly for spinel and yttria, the diffraction peaks exhibited 'longer' tails, indicating broader crystallite size distribution. The average crystallite size for the powders ranged from 3 to 70 nm. The results could then be used as 'fingerprints' for nanocrystallinity using x-ray diffractometry. The XRD crystallite sizes for yttria and ferrite nanocrystals are in fair agreement with their counterparts from electron microscopy observation.« less

Substitutions of aspartic acid for glycine-220 and of arginine for glycine-664 in the triple helix of the pro alpha 1(I) chain of type I procollagen produce lethal osteogenesis imperfecta and disrupt the ability of collagen fibrils to incorporate crystalline hydroxyapatite.

PubMed Central

Culbert, A A; Lowe, M P; Atkinson, M; Byers, P H; Wallis, G A; Kadler, K E

1995-01-01

We identified two infants with lethal (type II) osteogenesis imperfecta (OI) who were heterozygous for mutations in the COL1A1 gene that resulted in substitutions of aspartic acid for glycine at position 220 and arginine for glycine at position 664 in the product of one COL1A1 allele in each individual. In normal age- and site-matched bone, approximately 70% (by number) of the collagen fibrils were encrusted with plate-like crystallites of hydroxyapatite. In contrast, approximately 5% (by number) of the collagen fibrils in the probands' bone contained crystallites. In contrast with normal bone, the c-axes of hydroxyapatite crystallites were sometimes poorly aligned with the long axis of fibrils obtained from OI bone. Chemical analysis showed that the OI samples contained normal amounts of calcium. The probands' bone samples contained type I collagen, overmodified type I collagen and elevated levels of type III and V collagens. On the basis of biochemical and morphological data, the fibrils in the OI samples were co-polymers of normal and mutant collagen. The results are consistent with a model of fibril mineralization in which the presence of abnormal type I collagen prevents normal collagen in the same fibril from incorporating hydroxyapatite crystallites. Images Figure 1 Figure 2 Figure 3 PMID:7487936

Tunable conductivity in mesoporous germanium

NASA Astrophysics Data System (ADS)

Beattie, Meghan N.; Bioud, Youcef A.; Hobson, David G.; Boucherif, Abderraouf; Valdivia, Christopher E.; Drouin, Dominique; Arès, Richard; Hinzer, Karin

2018-05-01

Germanium-based nanostructures have attracted increasing attention due to favourable electrical and optical properties, which are tunable on the nanoscale. High densities of germanium nanocrystals are synthesized via electrochemical etching, making porous germanium an appealing nanostructured material for a variety of applications. In this work, we have demonstrated highly tunable electrical conductivity in mesoporous germanium layers by conducting a systematic study varying crystallite size using thermal annealing, with experimental conductivities ranging from 0.6 to 33 (×10‑3) Ω‑1 cm‑1. The conductivity of as-prepared mesoporous germanium with 70% porosity and crystallite size between 4 and 10 nm is shown to be ∼0.9 × 10‑3 Ω‑1 cm‑1, 5 orders of magnitude smaller than that of bulk p-type germanium. Thermal annealing for 10 min at 400 °C further reduced the conductivity; however, annealing at 450 °C caused a morphological transformation from columnar crystallites to interconnecting granular crystallites and an increase in conductivity by two orders of magnitude relative to as-prepared mesoporous germanium caused by reduced influence of surface states. We developed an electrostatic model relating the carrier concentration and mobility of p-type mesoporous germanium to the nanoscale morphology. Correlation within an order of magnitude was found between modelled and experimental conductivities, limited by variation in sample uniformity and uncertainty in void size and fraction after annealing. Furthermore, theoretical results suggest that mesoporous germanium conductivity could be tuned over four orders of magnitude, leading to optimized hybrid devices.

Platinum clusters supported in zeolite LTL: Influence of catalyst morphology on performance in n-hexane reforming

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jentoft, R.E.; Gates, B.C.; Tsapatsis, M.

KLTL zeolite-supported platinum catalysts were synthesized from aqueous tetraammineplatinum(II) nitrate solutions and nonacidic KLTL zeolite crystallites, including some with dimensions as little as 300 x 500 {angstrom}. The zeolite crystallites had various morphologies, some being predominantly disk-shaped particles and some predominantly mosaics of rod-like domains with a range of c-dimension lengths. The activity and selectivity of each catalyst were evaluated for dehydrocyclization of n-hexane in the presence of H{sub 2} to form predominantly benzene at conversions of typically 45--90%. The data presented here provide a detailed characterization of the deactivation of such catalysts in the absence of sulfur. EXAFS datamore » show that the platinum in each catalyst was present in clusters of about 20 atoms each, on average. Electron micrographs show that the platinum clusters were nearly evenly dispersed on the surfaces of the zeolite crystallites, including the intracrystalline and extracrystalline surfaces. The catalytic performance was virtually independent of the zeolite channel length, but activity, selectivity, and resistance to deactivation were found to be correlated with the ratio of the surface area external to the crystallite domains to that within the intracrystalline pores. The catalyst performance is dependent on this ratio (which is related to the zeolite morphology) as follows: in comparison with the others, the catalysts with the relatively low fractions of platinum outside the intracrystalline pores are more active, more selective for benzene formation, and more resistant to deactivation.« less

Effect of Cu2+ substitution on the structural, optical and magnetic behaviour ofchemically derived manganese ferrite nanoparticles

NASA Astrophysics Data System (ADS)

Vasuki, G.; Balu, T.

2018-06-01

Mixed spinel copper manganese ferrite (CuXMn1‑XFe2O4, X = 0, 0.25, 0.5, 0.75, 1) nanoparticles were synthesized by chemical co-precipitation technique. From the powder x-ray diffraction analysis the lattice constant, volume of unit cell, x-ray density, hopping lengths, crystallite size, surface area, dislocation density and microstrain were calculated. The substitution of Cu2+ ions shows a considerable reduction in the crystallite size of manganese ferrite from 34 nm to 22 nm. Further a linear fit of Williamson-Hall plot has been drawn to determine the microstrain and crystallite size. The crystallite size and morphology were further observed through high resolution transmission electron microscope and scanning electron microscope. The diffraction rings observed from selected area electron diffraction pattern exhibits the crystalline nature of all the samples. The energy dispersive x-ray analysis shows the composition of all the elements incorporated in the synthesized nanomaterials. FTIR studies reveal the absorption peaks that correspond to the metal-oxygen vibrations in the tetrahedral and octahedral sites. From the UV–vis absorption spectra the band gap energy, refractive index and optical dielectric constant were determined. Magnetic studies carried out using vibrating sample magnetometer shows interesting behaviour in the variation of magnetisation and coercivity. Peculiar magnetic behaviour is observed when Cu2+ ions are substituted in manganese ferrites. All the synthesized materials have very low value of squareness ratio which attributes to the superparamagnetic behaviour.

Structure, microstructure, and size dependent catalytic properties of nanostructured ruthenium dioxide

NASA Astrophysics Data System (ADS)

Nowakowski, Pawel; Dallas, Jean-Pierre; Villain, Sylvie; Kopia, Agnieszka; Gavarri, Jean-Raymond

2008-05-01

Nanostructured powders of ruthenium dioxide RuO 2 were synthesized via a sol gel route involving acidic solutions with pH varying between 0.4 and 4.5. The RuO 2 nanopowders were characterized by X-ray diffraction, scanning and transmission electron microscopy (SEM and TEM). Rietveld refinement of mean crystal structure was performed on RuO 2 nanopowders and crystallized standard RuO 2 sample. Crystallite sizes measured from X-ray diffraction profiles and TEM analysis varied in the range of 4-10 nm, with a minimum of crystallite dimension for pH=1.5. A good agreement between crystallite sizes calculated from Williamson Hall approach of X-ray data and from direct TEM observations was obtained. The tetragonal crystal cell parameter (a) and cell volumes of nanostructured samples were characterized by values greater than the values of standard RuO 2 sample. In addition, the [Ru-O 6] oxygen octahedrons of rutile structure also depended on crystal size. Catalytic conversion of methane by these RuO 2 nanostructured catalysts was studied as a function of pH, catalytic interaction time, air methane composition, and catalysis temperature, by the way of Fourier transform infrared (FTIR) spectroscopy coupled to homemade catalytic cell. The catalytic efficiency defined as FTIR absorption band intensities I(CO 2) was maximum for sample prepared at pH=1.5, and mainly correlated to crystallite dimensions. No significant catalytic effect was observed from sintered RuO 2 samples.

The structure of anchovy outer retinae (Engraulididae, Clupeiformes) - a comparative light- and electron-microscopic study using museum-stored material.

PubMed

Hess, Martin; Melzer, Roland R; Eser, Roland; Smola, Ulrich

2006-11-01

The outer retinal architecture of Engraulididae is uncommon among vertebrates. In some anchovies, e.g., Anchoa, two cone types are arranged alternating in long photoreceptor chains, i.e., polycones. The cones have radially oriented outer segment lamellae in close contact with a complex guanine tapetum, most probably subserving polarization contrast vision. To clarify the distribution of the aberrant polycone architecture within the Engraulididae and to provide indications about polycone evolution, the outer retina morphology of 16 clupeoid species was investigated by light and electron microscopy, predominantly using museum-stored material. The outgroup representatives of four clupeid subfamilies (Clupeonella cultriventris, Dorosoma cepedianum, Ethmalosa fimbriata, Pellonula leonensis) show a row pattern of double cones, partially with single cones at defined positions and a pigment epithelium with lobopodial protrusions containing melanin. The pristigasterid Ilisha africana has double rows of single cones lying between linear curtains of pigment epithelium processes filled with minute crystallites and melanin concentrated near their vitreal tips. Within the Engraulididae, two main architectures are found: Coilia nasus and Thryssa setirostris have linear multiple cones or polycones separated by long pigment epithelium barriers containing tapetal crystallites and melanin in the tips (also found in Setipinna taty), whereas Anchoviella alleni, Encrasicholina heteroloba, Engraulis encrasicolus, Engraulis mordax, Lycengraulis batesii, and Stolephorus indicus exhibit the typical polycone architecture. Cetengraulis mysticetus and Lycothrissa crocodilus show cone patterns and pigment epithelium morphology differing from the other anchovy species. The sets of characters are compared, corroborated with the previous knowledge on clupeoid retinae and discussed in terms of functional morphology and visual ecology. A scenario on polycone evolution is developed that may serve as an aid for the reconstruction of engraulidid phylogeny. Furthermore, this study demonstrates the suitability of museum material for morphological studies, even at the electron microscopic level. Copyright 2006 Wiley-Liss, Inc.

Optimization of calcium concentration of saliva with phosphoryl oligosaccharides of calcium (POs-Ca) for enamel remineralization in vitro.

PubMed

Tanaka, Tomoko; Kobayashi, Takatsugu; Takii, Hiroshi; Kamasaka, Hiroshi; Ohta, Noboru; Matsuo, Tatsuhito; Yagi, Naoto; Kuriki, Takashi

2013-02-01

Phosphoryl oligosaccharides of calcium (POs-Ca) are highly soluble calcium source made from potato starch. The aim of this study was to investigate the optimal concentrations of POs-Ca for the remineralization of subsurface enamel lesions in vitro. Demineralized bovine enamel slabs (n=5) were remineralized in vitro for 24h at 37°C with artificial saliva (AS) containing 0-0.74% POs-Ca to adjust the Ca/P ratio to 0.4-3.0, then sectioned and analysed by transversal microradiography (TMR). The data were analysed by Scheffe's post hoc test. The Ca/P ratio with most remineralization was used to investigate the effect of calcium on enamel remineralization (n=11). The demineralized slabs were treated with AS with calcium-chloride- (CaCl2-) or POs-Ca with an identical calcium content, and sectioned for TMR and wide-angle X-ray diffraction (WAXRD) analyses to evaluate the local changes in hydroxyapatite (HAp) crystal content. The data were analysed using the Mann-Whitney U-test. The highest mineral recovery rate resulted from addition of POs-Ca to adjust the Ca/P to 1.67. At this ratio, the mineral recovery rate for AS containing POs-Ca (24.2±7.4%) was significantly higher than that for AS containing CaCl2 (12.5±11.3%) (mean±SD, p<0.05). The recovery rate of HAp crystallites for AS containing POs-Ca (35.7±10.9%) was also significantly higher than that for AS containing CaCl2 (23.1±13.5%) (p<0.05). The restored crystallites were oriented in the same directions as in sound enamel. POs-Ca effectively enhances enamel remineralization with ordered HAp at a Ca/P ratio of 1.67. Copyright © 2012 Elsevier Ltd. All rights reserved.

Activity- vs. structural-oriented treatment approach for frozen shoulder: a randomized controlled trial.

PubMed

Horst, Renata; Maicki, Tomasz; Trąbka, Rafał; Albrecht, Sindy; Schmidt, Katharina; Mętel, Sylwia; von Piekartz, Harry

2017-05-01

To compare the short- and long-term effects of a structural-oriented (convential) with an activity-oriented physiotherapeutic treatment in patients with frozen shoulder. Double-blinded, randomized, experimental study. Outpatient clinic. We included patients diagnosed with a limited range of motion and pain in the shoulder region, who had received a prescription for physiotherapy treatment, without additional symptoms of dizziness, a case history of headaches, pain and/or limited range of motion in the cervical spine and/or temporomandibular joint. The study group received treatment during the performance of activities. The comparison group was treated with manual therapy and proprioceptive neuromuscular facilitation (conventional therapy). Both groups received 10 days of therapy, 30 minutes each day. Range of motion, muscle function tests, McGill pain questionnaire and modified Upper Extremity Motor Activity Log were measured at baseline, after two weeks of intervention and after a three-month follow-up period without therapy. A total of 66 patients were randomized into two groups: The activity-oriented group ( n = 33, mean = 44 years, SD = 16 years) including 20 male (61%) and the structural-oriented group ( n = 33, mean = 47 years, SD = 17 years) including 21 male (64%). The activity-oriented group revealed significantly greater improvements in the performance of daily life activities and functional and structural tests compared with the group treated with conventional therapy after 10 days of therapy and at the three-month follow-up ( p < 0.05). Therapy based on performing activities seems to be more effective for pain reduction and the ability to perform daily life activities than conventional treatment methods.

bFGF-containing electrospun gelatin scaffolds with controlled nano-architectural features for directed angiogenesis

PubMed Central

Montero, Ramon B.; Vial, Ximena; Nguyen, Dat Tat; Farhand, Sepehr; Reardon, Mark; Pham, Si M.; Tsechpenakis, Gavriil; Andreopoulos, Fotios M.

2011-01-01

Current therapeutic angiogenesis strategies are focused on the development of biologically responsive scaffolds that can deliver multiple angiogenic cytokines and/or cells in ischemic regions. Herein, we report on a novel electrospinning approach to fabricate cytokine-containing nanofibrous scaffolds with tunable architecture to promote angiogenesis. Fiber diameter and uniformity were controlled by varying the concentration of the polymeric (i.e. gelatin) solution, the feed rate, needle to collector distance, and electric field potential between the collector plate and injection needle. Scaffold fiber orientation (random vs. aligned) was achieved by alternating the polarity of two parallel electrodes placed on the collector plate thus dictating fiber deposition patterns. Basic fibroblast growth factor (bFGF) was physically immobilized within the gelatin scaffolds at variable concentrations and human umbilical vein endothelial cells (HUVEC) were seeded on the top of the scaffolds. Cell proliferation and migration was assessed as a function of growth factor loading and scaffold architecture. HUVECs successfully adhered onto gelatin B scaffolds and cell proliferation was directly proportional to the loading concentrations of the growth factor (0–100 bFGF ng/mL). Fiber orientation had a pronounced effect on cell morphology and orientation. Cells were spread along the fibers of the electrospun scaffolds with the aligned orientation and developed a spindle-like morphology parallel to the scaffold's fibers. In contrast, cells seeded onto the scaffolds with random fiber orientation, did not demonstrate any directionality and appeared to have a rounder shape. Capillary formation (i.e. sprouts length and number of sprouts per bead), assessed in a 3-D in vitro angiogenesis assay, was a function of bFGF loading concentration (0 ng, 50 ng and 100 ng per scaffold) for both types of electrospun scaffolds (i.e. with aligned or random fiber orientation). PMID:22200610

Effects of peripheral sensory nerve stimulation plus task-oriented training on upper extremity function in patients with subacute stroke: a pilot randomized crossover trial.

PubMed

Ikuno, Koki; Kawaguchi, Saori; Kitabeppu, Shinsuke; Kitaura, Masaki; Tokuhisa, Kentaro; Morimoto, Shigeru; Matsuo, Atsushi; Shomoto, Koji

2012-11-01

To investigate the feasibility of peripheral sensory nerve stimulation combined with task-oriented training in patients with stroke during inpatient rehabilitation. A pilot randomized crossover trial. Two rehabilitation hospitals. Twenty-two patients with subacute stroke. Participants were randomly assigned to two groups and underwent two weeks of training in addition to conventional inpatient rehabilitation. The immediate group underwent peripheral sensory nerve stimulation combined with task-oriented training in the first week, followed by another week with task-oriented training alone. The delayed group underwent the same training in reverse order. Outcome measures were the level of fatigue and Wolf Motor Function Test. Patients were assessed at baseline, one and two weeks. All participants completed the study with no adverse events. There was no significant difference in level of fatigue between each treatment. From baseline to one week, the immediate group showed larger improvements than the delayed groups in the Wolf Motor Function Test (decrease in mean time (± SD) from 41.9 ± 16.2 seconds to 30.6 ± 11.4 seconds versus from 46.8 ± 19.4 seconds to 42.9 ± 14.7 seconds, respectively) but the difference did not reach significance after Bonferroni correction (P = 0.041). Within-group comparison showed significant improvements in the Wolf Motor Function Test mean time after the peripheral sensory nerve stimulation combined with task-oriented training periods in each group (P < 0.01). Peripheral sensory nerve stimulation is feasible in clinical settings and may enhance the effects of task-oriented training in patients with subacute stroke.

Feed mechanism and method for feeding minute items

DOEpatents

Stringer, Timothy Kent; Yerganian, Simon Scott

2012-11-06

A feeding mechanism and method for feeding minute items, such as capacitors, resistors, or solder preforms. The mechanism is adapted to receive a plurality of the randomly-positioned and randomly-oriented extremely small or minute items, and to isolate, orient, and position the items in a specific repeatable pickup location wherefrom they may be removed for use by, for example, a computer-controlled automated assembly machine. The mechanism comprises a sliding shelf adapted to receive and support the items; a wiper arm adapted to achieve a single even layer of the items; and a pushing arm adapted to push the items into the pickup location. The mechanism can be adapted for providing the items with a more exact orientation, and can also be adapted for use in a liquid environment.

Feed mechanism and method for feeding minute items

DOEpatents

Stringer, Timothy Kent [Bucyrus, KS; Yerganian, Simon Scott [Lee's Summit, MO

2009-10-20

A feeding mechanism and method for feeding minute items, such as capacitors, resistors, or solder preforms. The mechanism is adapted to receive a plurality of the randomly-positioned and randomly-oriented extremely small or minute items, and to isolate, orient, and position one or more of the items in a specific repeatable pickup location wherefrom they may be removed for use by, for example, a computer-controlled automated assembly machine. The mechanism comprises a sliding shelf adapted to receive and support the items; a wiper arm adapted to achieve a single even layer of the items; and a pushing arm adapted to push the items into the pickup location. The mechanism can be adapted for providing the items with a more exact orientation, and can also be adapted for use in a liquid environment.

Center of mass perception and inertial frames of reference.

PubMed

Bingham, G P; Muchisky, M M

1993-11-01

Center of mass perception was investigated by varying the shape, size, and orientation of planar objects. Shape was manipulated to investigate symmetries as information. The number of reflective symmetry axes, the amount of rotational symmetry, and the presence of radial symmetry were varied. Orientation affected systematic errors. Judgments tended to undershoot the center of mass. Random errors increased with size and decreased with symmetry. Size had no effect on random errors for maximally symmetric objects, although orientation did. The spatial distributions of judgments were elliptical. Distribution axes were found to align with the principle moments of inertia. Major axes tended to align with gravity in maximally symmetric objects. A functional and physical account was given in terms of the repercussions of error. Overall, judgments were very accurate.

Contour symmetry detection: the influence of axis orientation and number of objects.

PubMed

Friedenberg, J; Bertamini, M

2000-09-01

Participants discriminated symmetrical from random contours connected by straight lines to form part of one- or two-objects. In experiment one, symmetrical contours were translated or reflected and presented at vertical, horizontal, and oblique axis orientations with orientation constant within blocks. Translated two-object contours were detected more easily than one, replicating a "lock-and-key" effect obtained previously for vertical orientations only [M. Bertamini, J.D. Friedenberg, M. Kubovy, Acta Psychologica, 95 (1997) 119-140]. A second experiment extended these results to a wider variety of axis orientations under mixed block conditions. The pattern of performance for translation and reflection at different orientations corresponded in both experiments, suggesting that orientation is processed similarly in the detection of these symmetries.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luo, Sijun, E-mail: sluo1@tulane.edu; Riggs, Brian C.; Shipman, Joshua T.

Direct integration of proton conductor films on Pt-coated substrates opens the way to film-based proton transport devices. Columnar SrZr{sub 0.95}Y{sub 0.05}O{sub 3−δ} (SZY) films with dense microstructure were deposited on Pt-coated MgO(100) substrates at 830 °C by pulsed laser deposition. The optimal window of ambient O{sub 2} pressure for good crystallinity of SZY films is from 400 to 600 mTorr. The ambient O{sub 2} compresses the plasma plume of SZY and increases the deposition rate. The 10 nm thick Ti adhesion layer on MgO(100) greatly affects the orientation of the sputtered Pt layers. Pt deposited directly on MgO shows a highly (111)-preferredmore » orientation and leads to preferentially oriented SZY films while the addition of a Ti adhesion layer makes Pt show a less preferential orientation that leads to randomly oriented SZY films. The RMS surface roughness of preferentially oriented SZY films is larger than that of randomly oriented SZY films deposited under the same ambient O{sub 2} pressure. As the O{sub 2} pressure increased, the RMS surface roughness of preferentially oriented SZY films increased, reaching 45.7 nm (2.61% of film thickness) at 600 mTorr. This study revealed the ambient O{sub 2} pressure and orientation dependent surface roughness of SZY films grown on Pt-coated MgO substrates, which provides the potential to control the surface microstructure of SZY films for electrochemical applications in film-based hydrogen devices.« less

Biomimetic light-harvesting funnels for re-directioning of diffuse light.

PubMed

Pieper, Alexander; Hohgardt, Manuel; Willich, Maximilian; Gacek, Daniel Alexander; Hafi, Nour; Pfennig, Dominik; Albrecht, Andreas; Walla, Peter Jomo

2018-02-14

Efficient sunlight harvesting and re-directioning onto small areas has great potential for more widespread use of precious high-performance photovoltaics but so far intrinsic solar concentrator loss mechanisms outweighed the benefits. Here we present an antenna concept allowing high light absorption without high reabsorption or escape-cone losses. An excess of randomly oriented pigments collects light from any direction and funnels the energy to individual acceptors all having identical orientations and emitting ~90% of photons into angles suitable for total internal reflection waveguiding to desired energy converters (funneling diffuse-light re-directioning, FunDiLight). This is achieved using distinct molecules that align efficiently within stretched polymers together with others staying randomly orientated. Emission quantum efficiencies can be >80% and single-foil reabsorption <0.5%. Efficient donor-pool energy funneling, dipole re-orientation, and ~1.5-2 nm nearest donor-acceptor transfer occurs within hundreds to ~20 ps. Single-molecule 3D-polarization experiments confirm nearly parallel emitters. Stacked pigment selection may allow coverage of the entire solar spectrum.

Examining the Impact of Public Service Announcements on Help Seeking and Stigma: Results of a Randomized Controlled Trial.

PubMed

Corrigan, Patrick W; Powell, Karina J; Al-Khouja, Maya A

2015-11-01

Health communication campaigns often seek to diminish stigma and promote care seeking, with public service announcements (PSAs) frequently prominent in these campaigns. One example is the Australian-based beyondblue campaign. As an alternative approach, campaigns may seek to reduce stigma by promoting stories of recovery. Participants completed measures of stigmatizing and empowering attitudes at pre-, post-, and 72-hour follow-up after being randomized to a PSA recovery-oriented video, treatable disease-oriented video (beyondblue), or control. When exposed to the recovery-oriented PSA, participants showed significant reduction in stigmatizing attitudes from pre- to posttest than beyondblue or the control group with the emergence of nonsignificant trends identified at follow-up. Findings suggest a recovery-oriented video leads to better change on measures of stigma and affirming attitudes than beyondblue. Despite the aforementioned findings, results failed to show either the recovery or beyondblue videos had a significant impact on intent to seek treatment.

Rapid and Efficient Redox Processes within 2D Covalent Organic Framework Thin Films

DOE Office of Scientific and Technical Information (OSTI.GOV)

DeBlase, Catherine R.; Hernández-Burgos, Kenneth; Silberstein, Katharine E.

2015-03-24

Two-dimensional covalent organic frameworks (2D COFs) are ideally suited for organizing redox-active subunits into periodic, permanently porous polymer networks of interest for pseudocapacitive energy storage. Here we describe a method for synthesizing crystalline, oriented thin films of a redox-active 2D COF on Au working electrodes. The thickness of the COF film was controlled by varying the initial monomer concentration. A large percentage (80–99%) of the anthraquinone groups are electrochemically accessible in films thinner than 200 nm, an order of magnitude improvement over the same COF prepared as a randomly oriented microcrystalline powder. As a result, electrodes functionalized with oriented COFmore » films exhibit a 400% increase in capacitance scaled to electrode area as compared to those functionalized with the randomly oriented COF powder. These results demonstrate the promise of redox-active COFs for electrical energy storage and highlight the importance of controlling morphology for optimal performance.« less

Rapid and Efficient Redox Processes within 2D Covalent Organic Framework Thin Films

DOE Office of Scientific and Technical Information (OSTI.GOV)

DeBlase, Catherine R.; Hernández-Burgos, Kenneth; Silberstein, Katharine E.

2015-02-17

Two-dimensional covalent organic frameworks (2D COFs) are ideally suited for organizing redox-active subunits into periodic, permanently porous polymer networks of interest for pseudocapacitive energy storage. Here we describe a method for synthesizing crystalline, oriented thin films of a redox-active 2D COF on Au working electrodes. The thickness of the COF film was controlled by varying the initial monomer concentration. A large percentage (80–99%) of the anthraquinone groups are electrochemically accessible in films thinner than 200 nm, an order of magnitude improvement over the same COF prepared as a randomly oriented microcrystalline powder. As a result, electrodes functionalized with oriented COFmore » films exhibit a 400% increase in capacitance scaled to electrode area as compared to those functionalized with the randomly oriented COF powder. These results demonstrate the promise of redox-active COFs for electrical energy storage and highlight the importance of controlling morphology for optimal performance.« less

The organization of repeating units in mitochondrial DNA from yeast petite mutants.

PubMed

Bos, J L; Heyting, C; Van der Horst, G; Borst, P

1980-04-01

We have reinvestigated the linkage orientation of repeating units in mtDNAs of yeast ρ(-) petite mutants containing an inverted duplication. All five petite mtDNAs studied contain a continuous segment of wild-type mtDNA, part of which is duplicated and present in inverted form in the repeat. We show by restriction enzyme analysis that the non-duplicated segments between the inverted duplications are present in random orientation in all five petite mtDNAs. There is no segregation of sub-types with unique orientation. We attribute this to the high rate of intramolecular recombination between the inverted duplications. The results provide additional evidence for the high rate of recombination of yeast mtDNA even in haploid ρ(-) petite cells.We conclude that only two types of stable sequence organization exist in petite mtDNA: petites without an inverted duplication have repeats linked in straight head-to-tail arrangement (abcabc); petites with an inverted duplication have repeats in which the non-duplicated segments are present in random orientation.

Surface engineering with functional random copolymers for nanolithographic applications

NASA Astrophysics Data System (ADS)

Sparnacci, Katia; Antonioli, Diego; Gianotti, Valentina; Lupi, Federico Ferrarese; Giammaria, Tommaso Jacopo; Seguini, Gabriele; Perego, Michele; Laus, Michele

2016-05-01

Hydroxyl-terminated P(S-r-MMA) random copolymers with molecular weight ranging from 1.7 to 69 kg/mol and a styrene unit fraction of 61% were grafted onto a silicon oxide surface and subsequently used to study the orientation of domains with respect to the substrate, in cylinder-forming PS-b-PMMA block copolymer thin films. When the thickness (H) of the grafted layer is greater than 5-6 nm, a perpendicular orientation is always observed because of the efficient decoupling of the BCP film from the polar SiO2 surface. Conversely, if H is less than 5 nm, the critical thickness of the grafted layer, which allows the neutralization of the substrate and promotion of the perpendicular orientation of the nanodomains in the BCP film, is found to depend on the Mn of the RCP. In particular, when Mn = 1700, a 2.0 nm thick grafted layer is sufficient to promote the perpendicular orientation of the PMMA cylinders in the PS-b-PMMA BCP film.

Effects of 3 dimensional crystal geometry and orientation on 1D and 2D time-scale determinations of magmatic processes using olivine and orthopyroxene

NASA Astrophysics Data System (ADS)

Shea, Thomas; Krimer, Daniel; Costa, Fidel; Hammer, Julia

2014-05-01

One of the achievements in recent years in volcanology is the determination of time-scales of magmatic processes via diffusion in minerals and its addition to the petrologists' and volcanologists' toolbox. The method typically requires one-dimensional modeling of randomly cut crystals from two-dimensional thin sections. Here we address the question whether using 1D (traverse) or 2D (surface) datasets exploited from randomly cut 3D crystals introduces a bias or dispersion in the time-scales estimated, and how this error can be improved or eliminated. Computational simulations were performed using a concentration-dependent, finite-difference solution to the diffusion equation in 3D. The starting numerical models involved simple geometries (spheres, parallelepipeds), Mg/Fe zoning patterns (either normal or reverse), and isotropic diffusion coefficients. Subsequent models progressively incorporated more complexity, 3D olivines possessing representative polyhedral morphologies, diffusion anisotropy along the different crystallographic axes, and more intricate core-rim zoning patterns. Sections and profiles used to compare 1, 2 and 3D diffusion models were selected to be (1) parallel to the crystal axes, (2) randomly oriented but passing through the olivine center, or (3) randomly oriented and sectioned. Results show that time-scales estimated on randomly cut traverses (1D) or surfaces (2D) can be widely distributed around the actual durations of 3D diffusion (~0.2 to 10 times the true diffusion time). The magnitude over- or underestimations of duration are a complex combination of the geometry of the crystal, the zoning pattern, the orientation of the cuts with respect to the crystallographic axes, and the degree of diffusion anisotropy. Errors on estimated time-scales retrieved from such models may thus be significant. Drastic reductions in the uncertainty of calculated diffusion times can be obtained by following some simple guidelines during the course of data collection (i.e. selection of crystals and concentration profiles, acquisition of crystallographic orientation data), thus allowing derivation of robust time-scales.

Quantitative analysis of biological tissues using Fourier transform-second-harmonic generation imaging

NASA Astrophysics Data System (ADS)

Ambekar Ramachandra Rao, Raghu; Mehta, Monal R.; Toussaint, Kimani C., Jr.

2010-02-01

We demonstrate the use of Fourier transform-second-harmonic generation (FT-SHG) imaging of collagen fibers as a means of performing quantitative analysis of obtained images of selected spatial regions in porcine trachea, ear, and cornea. Two quantitative markers, preferred orientation and maximum spatial frequency are proposed for differentiating structural information between various spatial regions of interest in the specimens. The ear shows consistent maximum spatial frequency and orientation as also observed in its real-space image. However, there are observable changes in the orientation and minimum feature size of fibers in the trachea indicating a more random organization. Finally, the analysis is applied to a 3D image stack of the cornea. It is shown that the standard deviation of the orientation is sensitive to the randomness in fiber orientation. Regions with variations in the maximum spatial frequency, but with relatively constant orientation, suggest that maximum spatial frequency is useful as an independent quantitative marker. We emphasize that FT-SHG is a simple, yet powerful, tool for extracting information from images that is not obvious in real space. This technique can be used as a quantitative biomarker to assess the structure of collagen fibers that may change due to damage from disease or physical injury.

Task oriented training improves the balance outcome & reducing fall risk in diabetic population.

PubMed

Ghazal, Javeria; Malik, Arshad Nawaz; Amjad, Imran

2016-01-01

The objective was to determine the balance impairments and to compare task oriented versus traditional balance training in fall reduction among diabetic patients. The randomized control trial with descriptive survey and 196 diabetic patients were recruited to assess balance impairments through purposive sampling technique. Eighteen patients were randomly allocated into two groups; task oriented balance training group TOB (n=8) and traditional balance training group TBT (n=10). The inclusion criteria were 30-50 years age bracket and diagnosed cases of Diabetes Mellitus with neuropathy. The demographics were taken through standardized & valid assessment tools include Berg Balance Scale and Functional Reach Test. The measurements were obtained at baseline, after 04 and 08 weeks of training. The mean age of the participants was 49 ±6.79. The result shows that 165(84%) were at moderate risk of fall and 31(15%) were at mild risk of fall among total 196 diabetic patients. There was significant improvement (p <0.05) in task oriented balance training group for dynamic balance, anticipatory balance and reactive balance after 8 weeks of training as compare to traditional balance training. Task oriented balance training is effective in improving the dynamic, anticipator and reactive balance. The task oriented training reduces the risk of falling through enhancing balance outcome.

Task oriented training improves the balance outcome & reducing fall risk in diabetic population

PubMed Central

Ghazal, Javeria; Malik, Arshad Nawaz; Amjad, Imran

2016-01-01

Objectives: The objective was to determine the balance impairments and to compare task oriented versus traditional balance training in fall reduction among diabetic patients. Methods: The randomized control trial with descriptive survey and 196 diabetic patients were recruited to assess balance impairments through purposive sampling technique. Eighteen patients were randomly allocated into two groups; task oriented balance training group TOB (n=8) and traditional balance training group TBT (n=10). The inclusion criteria were 30-50 years age bracket and diagnosed cases of Diabetes Mellitus with neuropathy. The demographics were taken through standardized & valid assessment tools include Berg Balance Scale and Functional Reach Test. The measurements were obtained at baseline, after 04 and 08 weeks of training. Results: The mean age of the participants was 49 ±6.79. The result shows that 165(84%) were at moderate risk of fall and 31(15%) were at mild risk of fall among total 196 diabetic patients. There was significant improvement (p <0.05) in task oriented balance training group for dynamic balance, anticipatory balance and reactive balance after 8 weeks of training as compare to traditional balance training. Conclusion: Task oriented balance training is effective in improving the dynamic, anticipator and reactive balance. The task oriented training reduces the risk of falling through enhancing balance outcome. PMID:27648053

Core stability exercise is as effective as task-oriented motor training in improving motor proficiency in children with developmental coordination disorder: a randomized controlled pilot study.

PubMed

Au, Mei K; Chan, Wai M; Lee, Lin; Chen, Tracy Mk; Chau, Rosanna Mw; Pang, Marco Yc

2014-10-01

To compare the effectiveness of a core stability program with a task-oriented motor training program in improving motor proficiency in children with developmental coordination disorder (DCD). Randomized controlled pilot trial. Outpatient unit in a hospital. Twenty-two children diagnosed with DCD aged 6-9 years were randomly allocated to the core stability program or the task-oriented motor program. Both groups underwent their respective face-to-face training session once per week for eight consecutive weeks. They were also instructed to carry out home exercises on a daily basis during the intervention period. Short Form of the Bruininks-Oseretsky Test of Motor Proficiency (Second Edition) and Sensory Organization Test at pre- and post-intervention. Intention-to-treat analysis revealed no significant between-group difference in the change of motor proficiency standard score (P=0.717), and composite equilibrium score derived from the Sensory Organization Test (P=0.100). Further analysis showed significant improvement in motor proficiency in both the core stability (mean change (SD)=6.3(5.4); p=0.008) and task-oriented training groups (mean change(SD)=5.1(4.0); P=0.007). The composite equilibrium score was significantly increased in the task-oriented training group (mean change (SD)=6.0(5.5); P=0.009), but not in the core stability group (mean change(SD) =0.0(9.6); P=0.812). In the task-oriented training group, compliance with the home program was positively correlated with change in motor proficiency (ρ=0.680, P=0.030) and composite equilibrium score (ρ=0.638, P=0.047). The core stability exercise program is as effective as task-oriented training in improving motor proficiency among children with DCD. © The Author(s) 2014.

Effects of task-oriented robot training on arm function, activity, and quality of life in chronic stroke patients: a randomized controlled trial.

PubMed

Timmermans, Annick A A; Lemmens, Ryanne J M; Monfrance, Maurice; Geers, Richard P J; Bakx, Wilbert; Smeets, Rob J E M; Seelen, Henk A M

2014-03-31

Over fifty percent of stroke patients experience chronic arm hand performance problems, compromising independence in daily life activities and quality of life. Task-oriented training may improve arm hand performance after stroke, whereby augmented therapy may lead to a better treatment outcome. Technology-supported training holds opportunities for increasing training intensity. However, the effects of robot-supported task-oriented training with real life objects in stroke patients are not known to date. The aim of the present study was to investigate the effectiveness and added value of the Haptic Master robot combined with task-oriented arm hand training in chronic stroke patients. In a single-blind randomized controlled trial, 22 chronic stroke patients were randomly allocated to receive either task-oriented robot-assisted arm-hand training (experimental group) or task-oriented non-robotic arm-hand training (control group). For training, the T-TOAT (Technology-supported Task-Oriented Arm Training) method was applied. Training was provided during 8 weeks, 4 times/week, 2 × 30 min/day. A significant improvement after training on the Action Research Arm Test (ARAT) was demonstrated in the experimental group (p = 0.008). Results were maintained until 6 months after cessation of the training. On the perceived performance measure (Motor Activity Log (MAL)), both, the experimental and control group improved significantly after training (control group p = 0.008; experimental group p = 0.013). The improvements on MAL in both groups were maintained until 6 months after cessation of the training. With regard to quality of life, only in the control group a significant improvement after training was found (EuroQol-5D p = 0.015, SF-36 physical p = 0.01). However, the improvement on SF-36 in the control group was not maintained (p = 0.012). No between-group differences could be demonstrated on any of the outcome measures. Arm hand performance improved in chronic stroke patients, after eight weeks of task oriented training. The use of a Haptic Master robot in support of task-oriented arm training did not show additional value over the video-instructed task-oriented exercises in highly functional stroke patients. Current Controlled Trials ISRCTN82787126.

Structural changes during milling of aluminum oxide powders

NASA Technical Reports Server (NTRS)

Ziepler, G.

1984-01-01

The mechanical activation of four fused corundum powders and a calcined Al2O3 powder was studied. The milled powders were characterized by their structural properties, crystallite size, and lattice distortions. Structural changes during milling, detected by X-ray line broadening analysis, gave information about the enhanced activity of the powders caused by the lattice distortions and by the decreasing crystallite size during milling. The structural changes during milling, under the same milling conditions, can be quite different for the same ceramic material, but with different characteristics in the as received state.

Models for Amorphous Calcium Carbonate

NASA Astrophysics Data System (ADS)

Sinha, Sourabh

Many species e.g. sea urchin form amorphous calcium carbonate (ACC) precursor phases that subsequently transform into crystalline CaCO3. It is certainly possible that the biogenic ACC might have more than 10 wt% Mg and ˜3 wt% of water. The structure of ACC and the mechanisms by which it transforms to crystalline phase are still poorly understood. In this dissertation our goal is to determine an atomic structure model that is consistent with diffraction and IR measurements of ACC. For this purpose a calcite supercell with 24 formula units, containing 120 atoms, was constructed. Various configurations with substitution of Ca by 6 Mg ions (6 wt.%) and insertion of 3-5 H 2O molecules (2.25-3.75 wt.%) in the interstitial positions of the supercell, were relaxed using a robust density function code VASP. The most noticeable effects were the tilts of CO3 groups and the distortion of Ca sub-lattice, especially in the hydrated case. The distributions of Ca-Ca nearest neighbor distance and CO3 tilts were extracted from various configurations. The same methods were also applied to aragonite. Sampling from the calculated distortion distributions, we built models for amorphous calcite/aragonite of size ˜ 1700 nm3 based on a multi-scale modeling scheme. We used these models to generate diffraction patterns and profiles with our diffraction code. We found that the induced distortions were not enough to generate a diffraction profile typical of an amorphous material. We then studied the diffraction profiles from several nano-crystallites as recent studies suggest that ACC might be a random array of nano-cryatallites. It was found that the generated diffraction profile from a nano-crystallite of size ˜ 2 nm3 is similar to that from the ACC.

Effect of chain stiffness on the competition between crystallization and glass-formation in model unentangled polymers

NASA Astrophysics Data System (ADS)

Nguyen, Hong T.; Smith, Tyler B.; Hoy, Robert S.; Karayiannis, Nikos Ch.

2015-10-01

We map out the solid-state morphologies formed by model soft-pearl-necklace polymers as a function of chain stiffness, spanning the range from fully flexible to rodlike chains. The ratio of Kuhn length to bead diameter (lK/r0) increases monotonically with increasing bending stiffness kb and yields a one-parameter model that relates chain shape to bulk morphology. In the flexible limit, monomers occupy the sites of close-packed crystallites while chains retain random-walk-like order. In the rodlike limit, nematic chain ordering typical of lamellar precursors coexists with close-packing. At intermediate values of bending stiffness, the competition between random-walk-like and nematic chain ordering produces glass-formation; the range of kb over which this occurs increases with the thermal cooling rate | T ˙ | implemented in our molecular dynamics simulations. Finally, values of kb between the glass-forming and rodlike ranges produce complex ordered phases such as close-packed spirals. Our results should provide a useful initial step in a coarse-grained modeling approach to systematically determining the effect of chain stiffness on the crystallization-vs-glass-formation competition in both synthetic and colloidal polymers.

Nuclear resonant forward scattering of synchrotron radiation by randomly oriented iron complexes which exhibit nuclear Zeeman interaction

NASA Astrophysics Data System (ADS)

Haas, M.; Realo, E.; Winkler, H.; Meyer-Klaucke, W.; Trautwein, A. X.; Leupold, O.; Rüter, H. D.

1997-12-01

An expression for the amplitude of a pulse of synchrotron radiation (SR) coherently scattered in forward direction by a randomly oriented Mössbauer absorber is derived from the theory of γ optics. It is assumed that the hyperfine splittings present in the Mössbauer nuclei can be described in the framework of the spin-Hamiltonian formalism. In the general case of a thick Mössbauer sample, which consists of randomly oriented paramagnetic iron-containing molecules (for example, a frozen solution of a 57Fe protein) in an applied magnetic field, the response of this sample on an incident monochromatic and fully polarized SR beam cannot be given analytically because of the integrations involved. The way to evaluate nuclear forward-scattering spectra for this general case numerically is outlined and results of calculations with a corresponding program package called SYNFOS are shown and compared with experimental results obtained by measurements of the high-spin iron (II) ``picket-fence'' porphyrin [Fe(CH3COO)TPpivP]- in an applied field of 6 T.

Phytochrome-mediated agravitropism in Arabidopsis hypocotyls requires GIL1 and confers a fitness advantage.

PubMed

Allen, Trudie; Ingles, Patricia J; Praekelt, Uta; Smith, Harry; Whitelam, Garry C

2006-05-01

Plants use specialized photoreceptors to detect the amount, quality, periodicity and direction of light and to modulate their growth and development accordingly. These regulatory light signals often interact with other environmental cues. Exposure of etiolated Arabidopsis seedlings to red (R) or far-red (FR) light causes hypocotyls to grow in random orientations with respect to the gravitational vector, thus overcoming the signal from gravity to grow upwards. This light response, mediated by either phytochrome A or phytochrome B, represents a prime example of cross-talk between environmental signalling systems. Here, we report the isolation the mutant gil1 (for gravitropic in the light) in which hypocotyls continue to grow upwards after exposure of seedlings to R or FR light. The gil1 mutant displays no other phenotypic alterations in response to gravity or light. Cloning of GIL1 has identified a novel gene that is necessary for light-dependent randomization of hypocotyl growth orientation. Using gil1, we have demonstrated that phytochrome-mediated randomization of Arabidopsis hypocotyl orientation provides a fitness advantage to seedlings developing in patchy, low-light environments.

Real-Space x-ray tomographic reconstruction of randomly oriented objects with sparse data frames.

PubMed

Ayyer, Kartik; Philipp, Hugh T; Tate, Mark W; Elser, Veit; Gruner, Sol M

2014-02-10

Schemes for X-ray imaging single protein molecules using new x-ray sources, like x-ray free electron lasers (XFELs), require processing many frames of data that are obtained by taking temporally short snapshots of identical molecules, each with a random and unknown orientation. Due to the small size of the molecules and short exposure times, average signal levels of much less than 1 photon/pixel/frame are expected, much too low to be processed using standard methods. One approach to process the data is to use statistical methods developed in the EMC algorithm (Loh & Elser, Phys. Rev. E, 2009) which processes the data set as a whole. In this paper we apply this method to a real-space tomographic reconstruction using sparse frames of data (below 10(-2) photons/pixel/frame) obtained by performing x-ray transmission measurements of a low-contrast, randomly-oriented object. This extends the work by Philipp et al. (Optics Express, 2012) to three dimensions and is one step closer to the single molecule reconstruction problem.

Randomized Controlled Trial of a Brief Problem-Orientation Intervention for Suicidal Ideation

ERIC Educational Resources Information Center

Fitzpatrick, Kathleen Kara; Witte, Tracy K.; Schmidt, Norman B.

2005-01-01

Empirical evaluations suggest that problem orientation, the initial reaction to problems, differentiates suicidal youth from nonclinical controls and nonideating psychiatric controls. One promising area for intervention with suicidal youth relates to enhancing this specific coping skill. Nonclinical participants (N = 110) with active suicidal…

Structural, optical, and transport properties of nanocrystalline bismuth telluride thin films treated with homogeneous electron beam irradiation and thermal annealing.

PubMed

Takashiri, Masayuki; Asai, Yuki; Yamauchi, Kazuki

2016-08-19

We investigated the effects of homogeneous electron beam (EB) irradiation and thermal annealing treatments on the structural, optical, and transport properties of bismuth telluride thin films. Bismuth telluride thin films were prepared by an RF magnetron sputtering method at room temperature. After deposition, the films were treated with homogeneous EB irradiation, thermal annealing, or a combination of both the treatments (two-step treatment). We employed Williamson-Hall analysis for separating the strain contribution from the crystallite domain contribution in the x-ray diffraction data of the films. We found that strain was induced in the thin films by EB irradiation and was relieved by thermal annealing. The crystal orientation along c-axis was significantly enhanced by the two-step treatment. Scanning electron microscopy indicated the melting and aggregation of nano-sized grains on the film surface by the two-step treatment. Optical analysis indicated that the interband transition of all the thin films was possibly of the indirect type, and that thermal annealing and two-step treatment methods increased the band gap of the films due to relaxation of the strain. Thermoelectric performance was significantly improved by the two-step treatment. The power factor reached a value of 17.2 μW (cm(-1) K(-2)), approximately 10 times higher than that of the as-deposited thin films. We conclude that improving the crystal orientation and relaxing the strain resulted in enhanced thermoelectric performance.

Inverted Planar Perovskite Solar Cells with a High Fill Factor and Negligible Hysteresis by the Dual Effect of NaCl-Doped PEDOT:PSS.

PubMed

Hu, Lijun; Sun, Kuan; Wang, Ming; Chen, Wei; Yang, Bo; Fu, Jiehao; Xiong, Zhuang; Li, Xinyi; Tang, Xiaosheng; Zang, Zhigang; Zhang, Shupeng; Sun, Lidong; Li, Meng

2017-12-20

The performance of inverted perovskite solar cells is highly dependent on hole extraction and surface properties of hole transport layers. To highlight the important role of hole transport layers, a facile and simple method is developed by adding sodium chloride (NaCl) into poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS). The average power conversion efficiency of the perovskite solar cells prepared on NaCl-doped PEDOT:PSS is 17.1% with negligible hysteresis, compared favorably to the control devices (15.1%). Particularly, they exhibit markedly improved V oc and fill factor (FF), with the best FF as high as 81.9%. The enhancement of photovoltaic performance is ascribed to two effects. Better conductivity and hole extraction of PEDOT:PSS are observed after NaCl doping. More intriguingly, the perovskite polycrystalline film shows a preferred orientation along the (001) direction on NaCl-doped PEDOT:PSS, leading to a more uniform thin film. The comparison of the crystal structure between NaCl and MAPbCl 3 indicates a lattice constant mismatch less than 2% and a matched chlorine atom arrangement on the (001) surface, which implies that the NaCl crystallites on the top surface of PEDOT:PSS might serve as seeds guiding the growth of perovskite crystals. This simple method is fully compatible with printing technologies to mass-produce perovskite solar cells with high efficiency and tunable crystal orientations.

Physics of Hard Spheres Experiment: Significant and Quantitative Findings Made

NASA Technical Reports Server (NTRS)

Doherty, Michael P.

2000-01-01

Direct examination of atomic interactions is difficult. One powerful approach to visualizing atomic interactions is to study near-index-matched colloidal dispersions of microscopic plastic spheres, which can be probed by visible light. Such spheres interact through hydrodynamic and Brownian forces, but they feel no direct force before an infinite repulsion at contact. Through the microgravity flight of the Physics of Hard Spheres Experiment (PHaSE), researchers have sought a more complete understanding of the entropically driven disorder-order transition in hard-sphere colloidal dispersions. The experiment was conceived by Professors Paul M. Chaikin and William B. Russel of Princeton University. Microgravity was required because, on Earth, index-matched colloidal dispersions often cannot be density matched, resulting in significant settling over the crystallization period. This settling makes them a poor model of the equilibrium atomic system, where the effect of gravity is truly negligible. For this purpose, a customized light-scattering instrument was designed, built, and flown by the NASA Glenn Research Center at Lewis Field on the space shuttle (shuttle missions STS 83 and STS 94). This instrument performed both static and dynamic light scattering, with sample oscillation for determining rheological properties. Scattered light from a 532- nm laser was recorded either by a 10-bit charge-coupled discharge (CCD) camera from a concentric screen covering angles of 0 to 60 or by sensitive avalanche photodiode detectors, which convert the photons into binary data from which two correlators compute autocorrelation functions. The sample cell was driven by a direct-current servomotor to allow sinusoidal oscillation for the measurement of rheological properties. Significant microgravity research findings include the observation of beautiful dendritic crystals, the crystallization of a "glassy phase" sample in microgravity that did not crystallize for over 1 year in 1g (Earth's gravity), and the emergence of face-centered-cubic (FCC) crystals late in the coarsening process (as small crystallites lost particles to the slow ripening of large crystallites). Significant quantitative findings from the microgravity experiments have been developed describing complex interactions among crystallites during the growth process, as concentration fields overlap in the surrounding disordered phase. Time-resolved Bragg scattering under microgravity captures one effect of these interactions quite conclusively for the sample at a volume fraction of 0.528. From the earliest time until the sample is almost fully crystalline, the size and overall crystallinity grow monotonically, but the number of crystallites per unit volume (number density) falls. Apparently nucleation is slower than the loss of crystallites because of the transfer of particles from small to large crystals. Thus, coarsening occurs simultaneously with growth, rather than following the completion of nucleation and growth as is generally assumed. In the same sample, an interesting signature appears in the apparent number density of crystallites and the volume fraction within the crystallites shortly before full crystallinity is reached. A brief upturn in both indicates the creation of more domains of the size of the average crystallite simultaneous with the compression of the crystallites. Only the emergence of dendritic arms offers a reasonable explanation. The arms would be "seen" by the light scattering as separate domains whose smaller radii of curvature would compress the interior phase. In fiscal year 1999, numerous papers, a doctoral dissertation, and the PHaSE final report were produced. Although this flight project has been completed, plans are in place for a follow-on colloid experiment by Chaikin and Russel that employs a light microscope within Glenn's Fluids and Combustion Facility on the International Space Station. PHaSE is providing us with a deeper understanding of the nure of phase transitions. The knowledge derived has added to the understanding of condensed matter. In addition, the burgeoning study of the dynamics of colloidal self-assembly may lead to the development of a range of photonic materials that control the desirable properties of light. Thus, applications of ordered colloidal structures include not only ultrastructure ceramics, but also photonic crystals and photothermal nanosecond light-switching devices. Industries dealing with semiconductors, electro-optics, ceramics, and composites stand to benefit from such advancements.

Task-Oriented Training with Computer Games for People with Rheumatoid Arthritis or Hand Osteoarthritis: A Feasibility Randomized Controlled Trial.

PubMed

Srikesavan, Cynthia Swarnalatha; Shay, Barbara; Szturm, Tony

2016-09-13

To examine the feasibility of a clinical trial on a novel, home-based task-oriented training with conventional hand exercises in people with rheumatoid arthritis or hand osteoarthritis. To explore the experiences of participants who completed their respective home exercise programmes. Thirty volunteer participants aged between 30 and 60 years and diagnosed with rheumatoid arthritis or hand osteoarthritis were proposed for a single-center, assessor-blinded, randomized controlled trial ( ClinicalTrials.gov : NCT01635582). Participants received task-oriented training with interactive computer games and objects of daily life or finger mobility and strengthening exercises. Both programmes were home based and were done four sessions per week with 20 minutes each session for 6 weeks. Major feasibility outcomes were number of volunteers screened, randomized, and retained; completion of blinded assessments, exercise training, and home exercise sessions; equipment and data management; and clinical outcomes of hand function. Reaching the recruitment target in 18 months and achieving exercise compliance >80% were set as success criteria. Concurrent with the trial, focus group interviews explored experiences of those participants who completed their respective programmes. After trial initiation, revisions in inclusion criteria were required to promote recruitment. A total of 17 participants were randomized and 15 were retained. Completion of assessments, exercise training, and home exercise sessions; equipment and data collection and management demonstrated excellent feasibility. Both groups improved in hand function outcomes and exercise compliance was above 85%. Participants perceived both programmes as appropriate and acceptable. Participants who completed task-oriented training also agreed that playing different computer games was enjoyable, engaging, and motivating. Findings demonstrate initial evidence on recruitment, feasibility of trial procedures, and acceptability of task-oriented training in people with rheumatoid arthritis or hand osteoarthritis. Since the pilot trial was unsuccessful in participant recruitment, a large trial will not follow.

Electrospun meshes possessing region-wise differences in fiber orientation, diameter, chemistry and mechanical properties for engineering bone-ligament-bone tissues.

PubMed

Samavedi, Satyavrata; Vaidya, Prasad; Gaddam, Prudhvidhar; Whittington, Abby R; Goldstein, Aaron S

2014-12-01

Although bone-patellar tendon-bone (B-PT-B) autografts are the gold standard for repair of anterior cruciate ligament ruptures, they suffer from drawbacks such as donor site morbidity and limited supply. Engineered tissues modeled after B-PT-B autografts are promising alternatives because they have the potential to regenerate connective tissue and facilitate osseointegration. Towards the long-term goal of regenerating ligaments and their bony insertions, the objective of this study was to construct 2D meshes and 3D cylindrical composite scaffolds - possessing simultaneous region-wise differences in fiber orientation, diameter, chemistry and mechanical properties - by electrospinning two different polymers from off-set spinnerets. Using a dual drum collector, 2D meshes consisting of an aligned polycaprolactone (PCL) fiber region, randomly oriented poly(lactide-co-glycolide) (PLGA) fiber region and a transition region (comprised of both PCL and PLGA fibers) were prepared, and region-wise differences were confirmed by microscopy and tensile testing. Bone marrow stromal cells (BMSCs) cultured on these meshes exhibited random orientations and low aspect ratios on the random PLGA regions, and high aspect ratios and alignment on the aligned PCL regions. Next, meshes containing an aligned PCL region flanked by two transition regions and two randomly oriented PLGA regions were prepared and processed into 3D cylindrical composite scaffolds using an interpenetrating photo-crosslinkable polyethylene glycol diacrylate hydrogel to recapitulate the shape of B-PT-B autografts. Tensile testing indicated that cylindrical composites were mechanically robust, and eventually failed due to stress concentration in the aligned PCL region. In summary, this study demonstrates a process to fabricate electrospun meshes possessing region-wise differences in properties that can elicit region-dependent cell responses, and be readily processed into scaffolds with the shape of B-PT-B autografts. © 2014 Wiley Periodicals, Inc.

Etiology of homosexuality and attitudes toward same-sex parenting: a randomized study.

PubMed

Frias-Navarro, Dolores; Monterde-I-Bort, Hector; Pascual-Soler, Marcos; Badenes-Ribera, Laura

2015-01-01

Attribution theory suggests the hypothesis that heterosexuals' attitudes toward homosexual sexual orientation will be more negative when homosexuality is attributed to controllable causes. Our randomized study analyzed (a) whether beliefs about the genetic or environmental etiology of the homosexual sexual orientation can be immediately modified by reading a text and (b) the causal effect of attributions about the controllability (environmental etiology) or noncontrollability (genetic etiology) of homosexual sexual orientation on the rejection of same-sex parenting and their social rights. The sample was composed of 190 Spanish university students with a mean age of 22.07 years (SD = 8.46). The results show that beliefs about the etiology of the sexual orientation could be modified by means of a written text. Furthermore, participants who believed that sexual orientation had a genetic etiology showed greater support for social rights and less rejection of same-sex parenting. However, the effects were detected only when there was a traditional opposition to the family with same-sex parenting. When the opposition was normative, the effect was not statistically significant. Our results can be useful in planning variables for intervention programs designed to foster tolerance toward and normality of sexual diversity.

Measurements of orientation, sedimentation, and dispersal of ramified particles in isotropic turbulence

NASA Astrophysics Data System (ADS)

Voth, Greg A.; Kramel, Stefan; Menon, Udayshankar K.; Koch, Donald L.

2017-11-01

We experimentally measure the sedimentation of non-spherical particles in isotropic turbulence. We obtain time-resolved 3D orientations of the particles along with the fluid velocity field around them in a vertical water tunnel. An active jet array with 40 individually controllable jets enables us to adjust the turbulence intensity and observe the transition from strongly aligned to randomized particle orientations. We focus on the orientation statistics of ramified particles formed from several slender arms, including fibers and particles with three arms in planar symmetry (triads), which allows us to study alignment of both fibers and disk-like particles. We can predict the turbulent intensity at which the transition from aligned to randomized particle orientations occurs using a non-dimensional settling factor given by the ratio of rotation timescale of the turbulence at the scale of the particle to the rotation timescale of a particles in quiescent flow due to inertial torques. A model of ramified particle motion based on slender body theory provides accurate predictions of the vertical and horizontal particle velocities relative to the turbulent fluid. Supported by Army Research Office Grant W911NF1510205.

Investigating histological aspects of scars in children.

PubMed

Westra, I; Verhaegen, P D H M; Ibrahim Korkmaz, H; Braam, K I; Kaspers, G J L; Niessen, H W M; Niessen, F B

2017-05-02

Very little is known about histological aspects of paediatric scars and the possible role of the immune system during their formation. In this study, the histology thoracic scars caused by the placement of an implantable central venous access device in children who underwent treatment for cancer was assessed. The amount and type of collagen, the collagen orientation, the type of elastic fibres, the vascularsation, and the count of neutrophils, macrophages, and lymphocytes were analysed. The severity of scarring was assessed using the Vancouver scar scale (VSS). To evaluate the role of the immune system on scar severity and histology, the scars of children suffering from acute lymphoblastic leukaemia (ALL) were compared with the scars of children suffering from other types of childhood cancer. Our results showed an extremely random orientation of the collagen fibres of the paediatric scars with a mean collagen orientation index of 0.22 (standard deviation (SD) 0.10, zero indicating a perfectly random orientation and a perfectly parallel orientation). A lower collagen orientation index was seen in scars with a lower VSS score (VSS score <3: 0.19 versus VSS score ≥3 0.29, p=0.037). A higher total VSS score, resembling a worse scar, was assessed to the scars in the non-ALL group compared with the children with ALL (mean ALL: 0.91 (0-3) versus mean non-ALL: 2.50 (0-6), p=0.037). To our knowledge, this is the first study investigating a wide array of histological aspects in paediatric scars. Compared with adult scars, an extremely random collagen orientation was found (0.22 in children versus 0.41 and 0.46 adult normotrophic and hypertrophic scars, respectively). A lower collagen orientation index was found in scars with a lower VSS score. In addition, less severe scarring was measured in children suffering from ALL compared with children suffering from other types of childhood cancer. This suggests that the immune system could play a role in the development of aberrant scarring and should be a target for future research.

Effect of annealing on physical characteristics of the vacuum evaporated mixed phase Sn x S y thin films

NASA Astrophysics Data System (ADS)

Banotra, A.; Padha, N.

2017-11-01

The mixed phase Sn x S y films of the thickness of 200 nm were obtained by annealing in an indigenously designed furnace at 473 K, 523 K, 573 K and 623 K for 1 h at each temperature. Prior to annealing, the precursor ‘Sn’ and ‘S’ materials were mixed up in a ball milling setup and thermally evaporated at the vacuum pressure ~2  ×  10-6 mbar on corning glass substrate. The increase in the annealing temperature influenced the reaction kinetics of ‘Sn’ and ‘S’ materials and led to the formation of SnS phase at 473 K. The SnS phase existed from 473 K to 573 K and transformed to Sn2S3 at temperatures between 573 K and 623 K. Besides this, the SnS2 phase co-existed in all undertaken temperatures where intensity of its most prominent peak increased with increase in annealing temperature. The transmittance (%) values of the undertaken films increased with increase in the annealing temperature in the wavelengths varying from 400 nm (visible) to 1600 nm (NIR). The absorption coefficient (α) values decreased with increase in annealing temperature from 1  ×  105 to 4  ×  104 cm-1 in the visible region and attained saturation values (~2  ×  104 cm-1) in the NIR region. The films possessed direct bandgap (E g) with values increasing from 1.90 eV to 2.82 eV with increase in the annealing temperature from 473 K to 623 K it also possessed indirect bandgaps with E g values varying from 0.82 eV to 1.52 eV with increase in annealing temperature in the same temperature range. The 473 K annealed samples provided irregular shaped SnS grains indicated by bright crystallites which reached to their stable position with enhanced crystallinity at the annealing temperatures of 523 K and 573 K. The SnS grains, however, reduced to lesser number at 623 K due to growth of Sn2S3 crystallites at the expense of SnS. The ‘S’ rich SnS phase (SnS2) crystallites were seen represented by darker crystallites appeared at 523 K, 573 K and 623 K. The current-voltage (I-V) study of the FTO/Film/Ag structure confirmed the schottky diode formation between Ag and film interface. There are variations in the I-V behaviour of diodes which resulted in random changes in the values of ‘ideality factor’ and ‘barrier heights’. The changes in diode parameters may be due to variation in the interface states, surface defects and barrier inhomogenities occurring due to compositional changes in Sn x S y films.

Multiple groups of orientation-selective visual mechanisms underlying rapid orientated-line detection.

PubMed Central

Foster, D H; Westland, S

1998-01-01

Visual search for an edge or line element differing in orientation from a background of other edge or line elements can be performed rapidly and effortlessly. In this study, based on psychophysical measurements with ten human observers, threshold values of the angle between a target and background line elements were obtained as functions of background-element orientation, in brief masked displays. A repeated-loess analysis of the threshold functions suggested the existence of several groups of orientation-selective mechanisms contributing to rapid orientated-line detection; specifically, coarse, intermediate and fine mechanisms with preferred orientations spaced at angles of approximately 90 degrees, 35 degrees, and 10 degrees-25 degrees, respectively. The preferred orientations of coarse and some intermediate mechanisms coincided with the vertical or horizontal of the frontoparallel plane, but the preferred orientations of fine mechanisms varied randomly from observer to observer, possibly reflecting individual variations in neuronal sampling characteristics. PMID:9753784

Study design and "evidence" in patient-oriented research.

PubMed

Concato, John

2013-06-01

Individual studies in patient-oriented research, whether described as "comparative effectiveness" or using other terms, are based on underlying methodological designs. A simple taxonomy of study designs includes randomized controlled trials on the one hand, and observational studies (such as case series, cohort studies, and case-control studies) on the other. A rigid hierarchy of these design types is a fairly recent phenomenon, promoted as a tenet of "evidence-based medicine," with randomized controlled trials receiving gold-standard status in terms of producing valid results. Although randomized trials have many strengths, and contribute substantially to the evidence base in clinical care, making presumptions about the quality of a study based solely on category of research design is unscientific. Both the limitations of randomized trials as well as the strengths of observational studies tend to be overlooked when a priori assumptions are made. This essay presents an argument in support of a more balanced approach to evaluating evidence, and discusses representative examples from the general medical as well as pulmonary and critical care literature. The simultaneous consideration of validity (whether results are correct "internally") and generalizability (how well results apply to "external" populations) is warranted in assessing whether a study's results are accurate for patients likely to receive the intervention-examining the intersection of clinical and methodological issues in what can be called a medicine-based evidence approach. Examination of cause-effect associations in patient-oriented research should recognize both the strengths and limitations of randomized trials as well as observational studies.

Gravity and the orientation of cell division

NASA Technical Reports Server (NTRS)

Helmstetter, C. E.

1997-01-01

A novel culture system for mammalian cells was used to investigate division orientations in populations of Chinese hamster ovary cells and the influence of gravity on the positioning of division axes. The cells were tethered to adhesive sites, smaller in diameter than a newborn cell, distributed over a nonadhesive substrate positioned vertically. The cells grew and divided while attached to the sites, and the angles and directions of elongation during anaphase, projected in the vertical plane, were found to be random with respect to gravity. However, consecutive divisions of individual cells were generally along the same axis or at 90 degrees to the previous division, with equal probability. Thus, successive divisions were restricted to orthogonal planes, but the choice of plane appeared to be random, unlike the ordered sequence of cleavage orientations seen during early embryo development.

Architecture of crossed-lamellar bivalve shells: the southern giant clam (Tridacna derasa, Röding, 1798).

PubMed

Agbaje, O B A; Wirth, R; Morales, L F G; Shirai, K; Kosnik, M; Watanabe, T; Jacob, D E

2017-09-01

Tridacna derasa shells show a crossed lamellar microstructure consisting of three hierarchical lamellar structural orders. The mineral part is intimately intergrown with 0.9 wt% organics, namely polysaccharides, glycosylated and unglycosylated proteins and lipids, identified by Fourier transform infrared spectrometry. Transmission electron microscopy shows nanometre-sized grains with irregular grain boundaries and abundant voids. Twinning is observed across all spatial scales and results in a spread of the crystal orientation angles. Electron backscatter diffraction analysis shows a strong fibre texture with the [001] axes of aragonite aligned radially to the shell surface. The aragonitic [100] and [010] axes are oriented randomly around [001]. The random orientation of anisotropic crystallographic directions in this plane reduces anisotropy of the Young's modulus and adds to the optimization of mechanical properties of bivalve shells.

A Microstructural Analysis of Orientation Variation in Epitaxial AlN on Si, Its Probable Origin, and Effect on Subsequent GaN Growth

NASA Technical Reports Server (NTRS)

Beye, R.; George, T.; Yang, J. W.; Khan, M. A.

1996-01-01

A structural examination of aluminum nitride growth on [111] silicon was carried out using transmission electron microscopy. Electron diffraction indicates that the basal planes of the wurtzitic overlayer mimic the orientation of the close-packed planes of the substrate. However, considerable, random rotation in the basal plane and random out-of-plane tilts were evident. This article examines these issues with a structural examination of AlN and GaN/AlN on silicon and compares the findings to those reported in the literature.

Long-range ordering effect in electrodeposition of zinc and zinc oxide.

PubMed

Liu, Tao; Wang, Sheng; Shi, Zi-Liang; Ma, Guo-Bin; Wang, Mu; Peng, Ru-Wen; Hao, Xi-Ping; Ming, Nai-Ben

2007-05-01

In this paper, we report the long-range ordering effect observed in the electro-crystallization of Zn and ZnO from an ultrathin aqueous electrolyte layer of ZnSO4 . The deposition branches are regularly angled, covered with random-looking, scalelike crystalline platelets of ZnO. Although the orientation of each crystalline platelet of ZnO appears random, transmission electron microscopy shows that they essentially possess the same crystallographic orientation as the single-crystalline zinc electrodeposit underneath. Based on the experimental observations, we suggest that this unique long-range ordering effect results from an epitaxial nucleation effect in electrocrystallization.

Electromagnetic scattering from a layer of finite length, randomly oriented, dielectric, circular cylinders over a rough interface with application to vegetation

NASA Technical Reports Server (NTRS)

Karam, M. A.; Fung, A. K.

1988-01-01

A scattering model for defoliated vegetation is developed by treating a layer of defoliated vegetation as a collection of randomly oriented dielectric cylinders of finite length over an irregular ground surface. Both polarized and depolarized backscattering are computed and their behavior versus the volume fraction, the incidence angle, the frequency, the angular distribution and the cylinder size are illustrated. It is found that both the angular distribution and the cylinder size have significant effects on the backscattered signal. The present theory is compared with measurements from defoliated vegetations.

Nonholonomic diffusion of a stochastic sled

NASA Astrophysics Data System (ADS)

Jung, Peter; Marchegiani, Giampiero; Marchesoni, Fabio

2016-01-01

A sled is a stylized mechanical model of a system which is constrained to move in space in a specific orientation, i.e., in the direction of the runners of the sled or a blade. The negation of motion transverse to the runners renders the sled a nonholonomic mechanical system. In this paper we report on the unexpected and fascinating richness of the dynamics of such a sled if it is subject to random forces. Specifically we show that the ensuing random dynamics is characterized by relatively smooth sections of motion interspersed by episodes of persistent tumbling (change of orientation) and sharp reversals resembling the random walks of bacterial cells. In the presence of self-propulsion, the diffusivity of the sled can be enhanced and suppressed depending on the directionality and strength of the propulsive force.

Flow-induced phase separation of active particles is controlled by boundary conditions.

PubMed

Thutupalli, Shashi; Geyer, Delphine; Singh, Rajesh; Adhikari, Ronojoy; Stone, Howard A

2018-05-22

Active particles, including swimming microorganisms, autophoretic colloids, and droplets, are known to self-organize into ordered structures at fluid-solid boundaries. The entrainment of particles in the attractive parts of their spontaneous flows has been postulated as a possible mechanism underlying this phenomenon. Here, combining experiments, theory, and numerical simulations, we demonstrate the validity of this flow-induced ordering mechanism in a suspension of active emulsion droplets. We show that the mechanism can be controlled, with a variety of resultant ordered structures, by simply altering hydrodynamic boundary conditions. Thus, for flow in Hele-Shaw cells, metastable lines or stable traveling bands can be obtained by varying the cell height. Similarly, for flow bounded by a plane, dynamic crystallites are formed. At a no-slip wall, the crystallites are characterized by a continuous out-of-plane flux of particles that circulate and re-enter at the crystallite edges, thereby stabilizing them. At an interface where the tangential stress vanishes, the crystallites are strictly 2D, with no out-of-plane flux. We rationalize these experimental results by calculating, in each case, the slow viscous flow produced by the droplets and the long-ranged, many-body active forces and torques between them. The results of numerical simulations of motion under the action of the active forces and torques are in excellent agreement with experiments. Our work elucidates the mechanism of flow-induced phase separation in active fluids, particularly active colloidal suspensions, and demonstrates its control by boundaries, suggesting routes to geometric and topological phenomena in an active matter.

Structure of thin diamond films: A 1H and 13C nuclear-magnetic-resonance study

NASA Astrophysics Data System (ADS)

Pruski, M.; Lang, D. P.; Hwang, Son-Jong; Jia, H.; Shinar, J.

1994-04-01

The 1H and 13C nuclear magnetic resonance (NMR) of thin diamond films deposited from naturally abundant (1.1 at. %) as well as 50% and 100% 13enriched CH4 heavily diluted in H2 is described and discussed. Less than 0.6 at. % of hydrogen is found in the films which contain crystallites up to ~15 μm across. The 1H NMR consists of a broad 50-65-kHz-wide Gaussian line attributed to H atoms bonded to carbon and covering the crystallite surfaces. A narrow Lorentzian line was only occasionally observed and is found not to be intrinsic to the diamond structure. The 13C NMR demonstrates that >99.5% of the C atoms reside in a quaternary diamondlike configuration. 1-13C cross-polarization measurement indicates that, at the very least, the majority of 13C nuclei cross polarized by 1H, i.e., within three bond distances from a 1H at a crystallite surface, reside in sp3 diamondlike coordinated sites. The 13C relaxation rates of the films are four orders of magnitude faster than that of natural diamond and believed to be due to 13C spin diffusion to paramagnetic centers, presumably carbon dangling bonds. Analysis of the measured relaxation rates indicates that within the 13C spin-diffusion length of √DTc1 ~0.05 μm, these centers are uniformly distributed in the diamond crystallites. The possibility that the dangling bonds are located at internal nanovoid surfaces is discussed.

Effect of synthesis conditions on the nanopowder properties of Ce{sub 0.9}Zr{sub 0.1}O{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zimicz, M.G.; Fabregas, I.O.; Lamas, D.G.

Graphical abstract: . The synthesis of nanocrystalline Ce{sub 0.9}Zr{sub 0.1}O{sub 2} powders via the gel-combustion method, using different fuels, and following either stoichiometric or non-stoichiometric pH-controlled routes is investigated. Research highlights: {yields} All samples exhibited the fluorite-type crystal structure, nanometric average crystallite size and negligible carbon content. {yields} Synthesis conditions strongly affect the average crystallite size, the degree of agglomeration, the specific surface area and the pore volume. {yields} Our results indicate that, by controlling the synthesis conditions it is possible to obtain solids with custom-made morphological properties. -- Abstract: In this work, the synthesis of nanocrystalline Ce{sub 0.9}Zr{sub 0.1}O{submore » 2} powders via the gel-combustion method, using different fuels, and following either stoichiometric or non-stoichiometric pH-controlled routes is investigated. The objective is to evaluate the effect of synthesis conditions on the textural and morphological properties, and the crystal structure of the synthesized materials. The solids were characterized by nitrogen physisorption, Scanning Electron Microscopy (SEM), X-ray powder diffraction (XPD), and Carbon-Hydrogen-Nitrogen Elemental Analysis (CHN). All the powders exhibited nanometric crystallite size, fluorite-type structure and negligible carbon content. Synthesis conditions strongly affect the average crystallite size, the degree of agglomeration, the specific surface area and the pore volume. Our results indicate that, by controlling the synthesis conditions it is possible to obtain solids with custom-made morphological properties.« less

Crystallographic Analysis of a Japanese Sword by using Bragg Edge Transmission Spectroscopy

NASA Astrophysics Data System (ADS)

Shiota, Yoshinori; Hasemi, Hiroyuki; Kiyanagi, Yoshiaki

Neutron imaging using a pulsed neutron source can give crystallographic information over wide area of a sample by analysing position dependent transmission spectra. With the use of a Bragg edge imaging method we non-destructively obtained crystallographic information of a Japanese sword, signed by Bishu Osafune Norimitsu, in order to know position dependent crystallographic characteristics and to check usefulness of the method for the Japanese sword investigation. Strong texture appeared on the back side. On the other hand in the middle area almost isotropic feature appeared and edge side showed feature between them. Rather isotropic area in the centre area gradually reduced from the grip side to the tip side. The crystallite size was smaller near the edge and became larger towards the back side. The smaller crystallite size will be due to quenching around the edge and this trend disappeared in the grip (nakago) area. The larger crystallite size will be due to strong hammering. Coarse grains were also observed directly as transmission images with the use of a high spatial resolution detector. The spatial distribution of the grains was not uniform but the reason have not been understood. Furthermore, a white area around a tip area was proved to be a void by looking at the Brag edge transmission spectra. This void may be formed during forging process of two kinds of steel. It is suggested that consideration on differences in the texture and the crystallite size depending on position will give information to clarify the manufacturing process, and Bragg edge analysis will be a profitable tool for research of Japanese sword.

Pulsed supercritical synthesis of anatase TiO₂ nanoparticles in a water-isopropanol mixture studied by in situ powder X-ray diffraction.

PubMed

Rostgaard Eltzholtz, Jakob; Tyrsted, Christoffer; Ørnsbjerg Jensen, Kirsten Marie; Bremholm, Martin; Christensen, Mogens; Becker-Christensen, Jacob; Brummerstedt Iversen, Bo

2013-03-21

A new step in supercritical nanoparticle synthesis, the pulsed supercritical synthesis reactor, is investigated in situ using synchrotron powder X-ray diffraction (PXRD) to understand the formation of nanoparticles in real time. This eliminates the common problem of transferring information gained during in situ studies to subsequent laboratory reactor conditions. As a proof of principle, anatase titania nanoparticles were synthesized in a 50/50 mixture of water and isopropanol near and above the critical point of water (P = 250 bar, T = 300, 350, 400, 450, 500 and 550 °C). The evolution of the reaction product was followed by sequentially recording PXRD patterns with a time resolution of less than two seconds. The crystallite size of titania is found to depend on both temperature and residence time, and increasing either parameter leads to larger crystallites. A simple adjustment of either temperature or residence time provides a direct method for gram scale production of anatase nanoparticles of average crystallite sizes between 7 and 35 nm, thus giving the option of synthesizing tailor-made nanoparticles. Modeling of the in situ growth curves using an Avrami growth model gave an activation energy of 66(19) kJ mol(-1) for the initial crystallization. The in situ PXRD data also provide direct information about the size dependent macrostrain in the nanoparticles and with decreasing crystallite size the unit cell contracts, especially along the c-direction. This agrees well with previous ex situ results obtained for hydrothermal synthesis of titania nanoparticles.

Effects of Fiber Orientation on the Frictional Properties and Damage of Regenerative Articular Cartilage Surfaces

PubMed Central

Accardi, Mario Alberto; McCullen, Seth D.; Callanan, Anthony; Chung, Sangwon; Cann, Philippa M.

2013-01-01

Articular cartilage provides a low-friction, wear-resistant surface for diarthrodial joints. Due to overloading and overuse, articular cartilage is known to undergo significant wear and degeneration potentially resulting in osteoarthritis (OA). Regenerative medicine strategies offer a promising solution for the treatment of articular cartilage defects and potentially localized early OA. Such strategies rely on the development of materials to restore some aspects of cartilage. In this study, microfibrous poly(ɛ-caprolactone) scaffolds of varying fiber orientations (random and aligned) were cultured with bovine chondrocytes for 4 weeks in vitro, and the mechanical and frictional properties were evaluated. Mechanical properties were quantified using unconfined compression and tensile testing techniques. Frictional properties were investigated at physiological compressive strains occurring in native articular cartilage. Scaffolds were sheared along the fiber direction, perpendicular to the fiber direction and in random orientation. The evolution of damage as a result of shear was evaluated via white light interferometry and scanning electron microscopy. As expected, the fiber orientation strongly affected the tensile properties as well as the compressive modulus of the scaffolds. Fiber orientation did not significantly affect the equilibrium frictional coefficient, but it was, however, a key factor in dictating the evolution of surface damage on the surface. Scaffolds shear tested perpendicular to the fiber orientation displayed the highest surface damage. Our results suggest that the fiber orientation of the scaffold implanted in the joint could strongly affect its resistance to damage due to shear. Scaffold fiber orientation should thus be carefully considered when using microfibrous scaffolds. PMID:23688110

Structure and morphology evolution of silica-modified pseudoboehmite aerogels during heat treatment

NASA Astrophysics Data System (ADS)

Pakharukova, V. P.; Shalygin, A. S.; Gerasimov, E. Yu.; Tsybulya, S. V.; Martyanov, O. N.

2016-01-01

Silica-modified pseudoboehmite aerogels (0, 10, 20 at% of Si) were prepared by sol-gel method followed by supercritical drying. The phase transformations, changes in structure and morphology upon calcination were thoroughly investigated by advanced X-Ray diffraction (XRD) techniques and high-resolution transmission electron microscopy (HRTEM). Obtained pseudoboehmite samples had specific nanostructure: ultrathin two-dimensional (2D) crystallites were loosely packed. The silica dopant drastically enhanced the crystallite anisotropy. Thus, the aerogel with Al:Si atomic ratio of 9:1 consisted of the pseudoboehmite nanosheets with thickness of one unit cell (average dimensions of 14.0×1.2×14.5 nm). The specific nanostructure caused remarkable features of experimental XRD patterns, including anisotropic peak broadening and appearance of forbidden reflection. Direct simulation of XRD patterns with using the Debye Scattering Equation allowed the size and morphology of pseudoboehmite crystallites to be determined. The silica addition strongly delayed formation of γ-alumina and further phase transformations upon calcinaton. Thermal stability of alumina was suggested to be affected by the particle morphology inherited from the pseudoboehmite precursor.

Solid-state synthesis in the system Na 0.8Nb yW 1-yO 3 with 0⩽ y⩽0.4: A new phase, Na 0.5NbO 2.75, with perovskite-type structure

NASA Astrophysics Data System (ADS)

Debnath, Tapas; Rüscher, Claus H.; Gesing, Thorsten M.; Koepke, Jürgen; Hussain, Altaf

2008-04-01

Series of compounds in the system Na xNb yW 1-yO 3 were prepared according to the appropriate molar ratio of Na 2WO 4, WO 3, WO 2 and Nb 2O 5 with x=0.80 and 0.0⩽ y⩽0.4 at 600 °C in evacuated silica glass tubes. These compounds were investigated by X-ray powder diffraction, optical microscopy, microprobe analysis, Raman and optical microspectroscopy. A y-dependent separation into three distinct coloured crystallites with cubic perovskite-type structures is observed: (i) red-orange crystallites with composition Na xWO 3 with slightly decreasing x (i.e. 0.8-0.72) with increasing nominal y, (ii) bluish solid solution of composition Na xNb yW 1-yO 3 and (iii) white crystallites of a new phase having defect perovskite-type structure with composition Na 0.5NbO 2.75.

Reciprocal-space mapping of epitaxic thin films with crystallite size and shape polydispersity.

PubMed

Boulle, A; Conchon, F; Guinebretière, R

2006-01-01

A development is presented that allows the simulation of reciprocal-space maps (RSMs) of epitaxic thin films exhibiting fluctuations in the size and shape of the crystalline domains over which diffraction is coherent (crystallites). Three different crystallite shapes are studied, namely parallelepipeds, trigonal prisms and hexagonal prisms. For each shape, two cases are considered. Firstly, the overall size is allowed to vary but with a fixed thickness/width ratio. Secondly, the thickness and width are allowed to vary independently. The calculations are performed assuming three different size probability density functions: the normal distribution, the lognormal distribution and a general histogram distribution. In all cases considered, the computation of the RSM only requires a two-dimensional Fourier integral and the integrand has a simple analytical expression, i.e. there is no significant increase in computing times by taking size and shape fluctuations into account. The approach presented is compatible with most lattice disorder models (dislocations, inclusions, mosaicity, ...) and allows a straightforward account of the instrumental resolution. The applicability of the model is illustrated with the case of an yttria-stabilized zirconia film grown on sapphire.

High-performance porous polylactide stereocomplex crystallite scaffolds prepared by solution blending and salt leaching.

PubMed

Xie, Yan; Lan, Xiao-Rong; Bao, Rui-Ying; Lei, Yang; Cao, Zhi-Qiang; Yang, Ming-Bo; Yang, Wei; Wang, Yun-Bing

2018-09-01

Biodegradable stereocomplex crystallite polylactide (SC-PLA) porous scaffolds with well-defined pore structures, high heat resistance, mechanical strength, and solvent resistance together with good biocompatibility, were obtained through solution casting of mixed poly(l-lactide) and poly(d-lactide) solution and subsequent leaching of sodium chloride particles. The pore structure of the SC-PLA scaffolds can be perfectly maintained after a high-pressure sterilization treatment at 121 °C, owing to the extensive formation of stereocomplex crystallites in the scaffolds. In vivo pilot study demonstrates that the fibroblasts of rats can infiltrate into the SC-PLA scaffolds well through the open pores. Degradation tests in phosphate-buffered saline solution reveal that the structure of SC-PLA scaffolds was quite stable due to the enhanced hydrolysis-resistance and improved mechanical properties of the scaffolds. These results reveal that SC-PLA scaffolds with good biocompatibility are potentially to be used as implanted biomaterials for the regeneration and restoration of tissues or organs. Copyright © 2018 Elsevier B.V. All rights reserved.

Fabrication of hydroxyapatite and TiO 2 nanorods on microarc-oxidized titanium surface using hydrothermal treatment

NASA Astrophysics Data System (ADS)

Song, Ho-Jun; Kim, Ji-Woo; Kook, Min-Suk; Moon, Won-Jin; Park, Yeong-Joon

2010-09-01

AC-type microarc oxidation (MAO) and hydrothermal treatment techniques were used to enhance the bioactivity of commercially pure titanium (CP-Ti). The porous TiO 2 layer fabricated by the MAO treatment had a dominant anatase structure and contained Ca and P ions. The MAO-treated specimens were treated hydrothermally to form HAp crystallites on the titanium oxide layer in an alkaline aqueous solution (OH-solution) or phosphorous-containing alkaline solution (POH-solution). A small number of micro-sized hydroxyapatite (HAp) crystallites and a thin layer composed of nano-sized HAps were formed on the Ti-MAO-OH group treated hydrothermally in an OH-solution, whereas a large number of micro-sized HAp crystallites and dense anatase TiO 2 nanorods were formed on the Ti-MAO-POH group treated hydrothermally in a POH-solution. The layer of bone-like apatite that formed on the surface of the POH-treated sample after soaking in a modified simulated body fluid was thicker than that on the OH-treated samples.

On the peculiarities of galvanomagnetic effects in high magnetic fields in twisting bicrystals of the 3D topological insulator Bi{sub 1–x}Sb{sub x} (0.07 ≤ x ≤ 0.2)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Muntyanu, F. M., E-mail: muntean-teodor@yahoo.com; Gheorghitsa, E. I.; Gilewski, A.

2017-04-15

Galvanomagnetic effects in twisting bicrystals of Bi{sub 1–x}Sb{sub x} alloys (0.07 ≤ x ≤ 0.2) at low temperatures and in magnetic fields up to 40 T are studied. It is found that, at small crystallite misorientation angles, the semiconductor–semimetal transition is induced in the central layer (~60-nm-thick) and two adjacent layers (each ~20-nm-thick) of the interface at different values of ultraquantum magnetic field. Bicrystals with large misorientation angles, being located in strong magnetic fields, exhibit quantum oscillations of the magnetoresistance and the Hall effect, thus indicating that the density of states is higher and charge carriers are heavier in themore » adjacent layers of the interfaces than in the crystallites. Our results show also that twisting bicrystals contain regions with different densities of quantum electronic states, which are determined by the crystallite misorientation angle and magnetic-field strength.« less

Fabrication of Nanosized Island-Like CdO Crystallites-Decorated TiO₂ Rod Nanocomposites via a Combinational Methodology and Their Low-Concentration NO₂ Gas-Sensing Behavior.

PubMed

Liang, Yuan-Chang; Xu, Nian-Cih; Wang, Chein-Chung; Wei, Da-Hua

2017-07-10

TiO₂-CdO composite rods were synthesized through a hydrothermal method and sputtering thin-film deposition. The hydrothermally derived TiO₂ rods exhibited a rectangular cross-sectional crystal feature with a smooth surface, and the as-synthesized CdO thin film exhibited a rounded granular surface feature. Structural analyses revealed that the CdO thin film sputtered onto the surfaces of the TiO₂ rods formed a discontinuous shell layer comprising many island-like CdO crystallites. The TiO₂-CdO composite rods were highly crystalline, and their surfaces were rugged. A comparison of the NO₂ gas-sensing properties of the CdO thin film, TiO₂ rods, and TiO₂-CdO composite rods revealed that the composite rods exhibited superior gas-sensing responses to NO₂ gas than did the CdO thin film and TiO 2 rods, which can be attributed to the microstructural differences and the formation of heterojunctions between the TiO₂ core and CdO crystallites.

Synthesis and characterization of nanocrystalline mesoporous zirconia using supercritical drying.

PubMed

Tyagi, Beena; Sidhpuria, Kalpesh; Shaik, Basha; Jasra, Raksh Vir

2006-06-01

Synthesis of nano-crystalline zirconia aerogel was done by sol-gel technique and supercritical drying using n-propanol solvent at and above supercritical temperature (235-280 degrees C) and pressure (48-52 bar) of n-propanol. Zirconia xerogel samples have also been prepared by conventional thermal drying method to compare with the super critically dried samples. Crystalline phase, crystallite size, surface area, pore volume, and pore size distribution were determined for all the samples in detail to understand the effect of gel drying methods on these properties. Supercritical drying of zirconia gel was observed to give thermally stable, nano-crystalline, tetragonal zirconia aerogels having high specific surface area and porosity with narrow and uniform pore size distribution as compared to thermally dried zirconia. With supercritical drying, zirconia samples show the formation of only mesopores whereas in thermally dried samples, substantial amount of micropores are observed along with mesopores. The samples prepared using supercritical drying yield nano-crystalline zirconia with smaller crystallite size (4-6 nm) as compared to higher crystallite size (13-20 nm) observed with thermally dried zirconia.

A thermal study on the structural changes of bimetallic ZrO2-modified TiO2 nanotubes synthesized using supercritical CO2.

PubMed

Lucky, R A; Charpentier, P A

2009-05-13

In this study the thermal behavior of bimetallic ZrO(2)-TiO(2) (10/90 mol/mol) nanotubes are discussed which were synthesized via a sol-gel process in supercritical carbon dioxide (scCO(2)). The effects of calcination temperature on the morphology, phase structure, mean crystallite size, specific surface area and pore volume of the nanotubes were investigated by using a variety of physiochemical techniques. We report that SEM and TEM images showed that the nanotubular structure was preserved at up to 800 degrees C calcination temperature. When exposed to higher temperatures (900-1000 degrees C) the ZrO(2)-TiO(2) tubes deformed and the crystallites fused together, forming larger crystallites, and a bimetallic ZrTiO(4) species was detected. These results were further examined using TGA, FTIR, XRD and HRTEM analysis. The BET textural properties demonstrated that the presence of a small amount of Zr in the TiO(2) matrix inhibited the grain growth, stabilized the anatase phase and increased the thermal stability.

Random Wiring, Ganglion Cell Mosaics, and the Functional Architecture of the Visual Cortex

PubMed Central

Coppola, David; White, Leonard E.; Wolf, Fred

2015-01-01

The architecture of iso-orientation domains in the primary visual cortex (V1) of placental carnivores and primates apparently follows species invariant quantitative laws. Dynamical optimization models assuming that neurons coordinate their stimulus preferences throughout cortical circuits linking millions of cells specifically predict these invariants. This might indicate that V1’s intrinsic connectome and its functional architecture adhere to a single optimization principle with high precision and robustness. To validate this hypothesis, it is critical to closely examine the quantitative predictions of alternative candidate theories. Random feedforward wiring within the retino-cortical pathway represents a conceptually appealing alternative to dynamical circuit optimization because random dimension-expanding projections are believed to generically exhibit computationally favorable properties for stimulus representations. Here, we ask whether the quantitative invariants of V1 architecture can be explained as a generic emergent property of random wiring. We generalize and examine the stochastic wiring model proposed by Ringach and coworkers, in which iso-orientation domains in the visual cortex arise through random feedforward connections between semi-regular mosaics of retinal ganglion cells (RGCs) and visual cortical neurons. We derive closed-form expressions for cortical receptive fields and domain layouts predicted by the model for perfectly hexagonal RGC mosaics. Including spatial disorder in the RGC positions considerably changes the domain layout properties as a function of disorder parameters such as position scatter and its correlations across the retina. However, independent of parameter choice, we find that the model predictions substantially deviate from the layout laws of iso-orientation domains observed experimentally. Considering random wiring with the currently most realistic model of RGC mosaic layouts, a pairwise interacting point process, the predicted layouts remain distinct from experimental observations and resemble Gaussian random fields. We conclude that V1 layout invariants are specific quantitative signatures of visual cortical optimization, which cannot be explained by generic random feedforward-wiring models. PMID:26575467

Recovery practice in community mental health teams: national survey

PubMed Central

Leamy, M.; Clarke, E.; Le Boutillier, C.; Bird, V.; Choudhury, R.; MacPherson, R.; Pesola, F.; Sabas, K.; Williams, J.; Williams, P.; Slade, M.

2016-01-01

Background There is consensus about the importance of ‘recovery’ in mental health services, but the link between recovery orientation of mental health teams and personal recovery of individuals has been underresearched. Aims To investigate differences in team leader, clinician and service user perspectives of recovery orientation of community adult mental health teams in England. Method In six English mental health National Health Service (NHS) trusts, randomly chosen community adult mental health teams were surveyed. A random sample of ten patients, one team leader and a convenience sample of five clinicians were surveyed from each team. All respondents rated the recovery orientation of their team using parallel versions of the Recovery Self Assessment (RSA). In addition, service users also rated their own personal recovery using the Questionnaire about Processes of Recovery (QPR). Results Team leaders (n = 22) rated recovery orientation higher than clinicians (n = 109) or patients (n = 120) (Wald(2) = 7.0, P = 0.03), and both NHS trust and team type influenced RSA ratings. Patient-rated recovery orientation was a predictor of personal recovery (b = 0.58, 95% CI 0.31–0.85, P<0.001). Team leaders and clinicians with experience of mental illness (39%) or supporting a family member or friend with mental illness (76%) did not differ in their RSA ratings from other team leaders or clinicians. Conclusions Compared with team leaders, frontline clinicians and service users have less positive views on recovery orientation. Increasing recovery orientation may support personal recovery. PMID:27340113

The PULSAR primary care protocol: a stepped-wedge cluster randomized controlled trial to test a training intervention for general practitioners in recovery-oriented practice to optimize personal recovery in adult patients.

PubMed

Enticott, Joanne C; Shawyer, Frances; Brophy, Lisa; Russell, Grant; Fossey, Ellie; Inder, Brett; Mazza, Danielle; Vasi, Shiva; Weller, Penelope June; Wilson-Evered, Elisabeth; Edan, Vrinda; Meadows, Graham

2016-12-20

General practitioners (GPs) in Australia play a central role in the delivery of mental health care. This article describes the PULSAR (Principles Unite Local Services Assisting Recovery) Primary Care protocol, a novel mixed methods evaluation of a training intervention for GPs in recovery-oriented practice. The aim of the intervention is to optimize personal recovery in patients consulting study GPs for mental health issues. The intervention mixed methods design involves a stepped-wedge cluster randomized controlled trial testing the outcomes of training in recovery-oriented practice, together with an embedded qualitative study to identify the contextual enablers and challenges to implementing recovery-oriented practice. The project is conducted in Victoria, Australia between 2013 and 2017. Eighteen general practices and community health centers are randomly allocated to one of two steps (nine months apart) to start an intervention comprising GP training in the delivery of recovery-oriented practice. Data collection consists of cross-sectional surveys collected from patients of participating GPs at baseline, and again at the end of Steps 1 and 2. The primary outcome is improvement in personal recovery using responses to the Questionnaire about the Process of Recovery. Secondary outcomes are improvements in patient-rated measures of personal recovery and wellbeing, and of the recovery-oriented practice they have received, using the INSPIRE questionnaire, the Warwick-Edinburgh Mental Well-being Scale, and the Kessler Psychological Distress Scale. Participant data will be analyzed in the group that the cluster was assigned to at each study time point. Another per-protocol dataset will contain all data time-stamped according to the date of intervention received at each cluster site. Qualitative interviews with GPs and patients at three and nine months post-training will investigate experiences and challenges related to implementing recovery-oriented practice in primary care. Recovery-oriented practice is gaining increasing prominence in mental health service delivery and the outcomes of such an approach within the primary care sector for the first time will be evaluated in this project. If findings are positive, the intervention has the potential to extend recovery-oriented practice to GPs throughout the community. Australian and New Zealand Clinical Trial Registry ( ACTRN12614001312639 ). Registered: 8 August 2014.

Effect of nitrogen addition on the structural, electrical, and optical properties of In-Sn-Zn oxide thin films

NASA Astrophysics Data System (ADS)

Jia, Junjun; Torigoshi, Yoshifumi; Suko, Ayaka; Nakamura, Shin-ichi; Kawashima, Emi; Utsuno, Futoshi; Shigesato, Yuzo

2017-02-01

Indium-tin-zinc oxide (ITZO) films were deposited at various nitrogen flow ratios using magnetron sputtering. At a nitrogen flow ratio of 40%, the structure of ITZO film changed from amorphous, with a short-range-ordered In2O3 phase, to a c-axis oriented InN polycrystalline phase, where InN starts to nucleate from an amorphous In2O3 matrix. Whereas, nitrogen addition had no obvious effect on the structure of indium-gallium-zinc oxide (IGZO) films even at a nitrogen flow ratio of 100%. Nitrogen addition also suppressed the formation of oxygen-related vacancies in ITZO films when the nitrogen flow ratio was less than 20%, and higher nitrogen addition led to an increase in carrier density. Moreover, a red-shift in the optical band edge was observed as the nitrogen flow ratio increased, which could be attributed to the generation of InN crystallites. We anticipate that the present findings demonstrating nitrogen-addition induced structural changes can help to understand the environment-dependent instability in amorphous IGZO or ITZO based thin-film transistors (TFTs).

Optical Analysis of Iron-Doped Lead Sulfide Thin Films for Opto-Electronic Applications

NASA Astrophysics Data System (ADS)

Chidambara Kumar, K. N.; Khadeer Pasha, S. K.; Deshmukh, Kalim; Chidambaram, K.; Shakil Muhammad, G.

Iron-doped lead sulfide thin films were deposited on glass substrates using successive ionic layer adsorption and reaction method (SILAR) at room temperature. The X-ray diffraction pattern of the film shows a well formed crystalline thin film with face-centered cubic structure along the preferential orientation (1 1 1). The lattice constant is determined using Nelson Riley plots. Using X-ray broadening, the crystallite size is determined by Scherrer formula. Morphology of the thin film was studied using a scanning electron microscope. The optical properties of the film were investigated using a UV-vis spectrophotometer. We observed an increase in the optical band gap from 2.45 to 3.03eV after doping iron in the lead sulfide thin film. The cutoff wavelength lies in the visible region, and hence the grown thin films can be used for optoelectronic and sensor applications. The results from the photoluminescence study show the emission at 500-720nm. The vibrating sample magnetometer measurements confirmed that the lead sulfide thin film becomes weakly ferromagnetic material after doping with iron.

Synthesis and Characterization of Molybdenum (Mo) Thin Films Using DC-Magnetron Sputtering

NASA Astrophysics Data System (ADS)

Pandharkar, Subhash M.; Rondiya, Sachin R.; Rokade, Avinash V.; Gabhale, Bharat B.; Pathan, Habib M.; Jadkar, Sandesh R.

2018-03-01

In present work, we report synthesis of Mo thin films by DC-magnetron sputtering method. The structural, optical, morphological and electrical properties were investigated as a function of target-to-substrate distance. From the results, it is evident that with increase in target-to-substrate distance the thickness of films decreases while its sheet resistance and electrical resistivity increases, which is confirmed by van der Pauw method. Low angle XRD analysis revealed that with increase in target-to-substrate distance preferred orientation of Mo crystallites changes from (211) to (110) and its size decreases. The FE-SEM analysis revealed a significant change in surface morphology with increase in target-to-substrate distance. UV-Visible spectroscopy analysis showed that Mo films deposited at high target-to-substrate distance have more reflection than those deposited at lower target-to-substrate. Finally, adhesion test was performed using scotch hatch tape adhesion test which show all Mo films have excellent adhesion over the entire range of target-to-substrate distance studied. The employment of such Mo films as back contact can be useful to improve efficiency of CZTS solar cells.

The fracture behaviour of dental enamel.

PubMed

Bechtle, Sabine; Habelitz, Stefan; Klocke, Arndt; Fett, Theo; Schneider, Gerold A

2010-01-01

Enamel is the hardest tissue in the human body covering the crowns of teeth. Whereas the underlying dental material dentin is very well characterized in terms of mechanical and fracture properties, available data for enamel are quite limited and are apart from the most recent investigation mainly based on indentation studies. Within the current study, stable crack-growth experiments in bovine enamel have been performed, to measure fracture resistance curves for enamel. Single edge notched bending specimens (SENB) prepared out of bovine incisors were tested in 3-point bending and subsequently analysed using optical and environmental scanning electron microscopy. Cracks propagated primarily within the protein-rich rod sheaths and crack propagation occurred under an inclined angle to initial notch direction not only due to enamel rod and hydroxyapatite crystallite orientation but potentially also due to protein shearing. Determined mode I fracture resistance curves ranged from 0.8-1.5 MPa*m(1/2) at the beginning of crack propagation up to 4.4 MPa*m(1/2) at 500 microm crack extension; corresponding mode II values ranged from 0.3 to 1.5 MPa*m(1/2).

An affine microsphere approach to modeling strain-induced crystallization in rubbery polymers

NASA Astrophysics Data System (ADS)

Nateghi, A.; Dal, H.; Keip, M.-A.; Miehe, C.

2018-01-01

Upon stretching a natural rubber sample, polymer chains orient themselves in the direction of the applied load and form crystalline regions. When the sample is retracted, the original amorphous state of the network is restored. Due to crystallization, properties of rubber change considerably. The reinforcing effect of the crystallites stiffens the rubber and increases the crack growth resistance. It is of great importance to understand the mechanism leading to strain-induced crystallization. However, limited theoretical work has been done on the investigation of the associated kinetics. A key characteristic observed in the stress-strain diagram of crystallizing rubber is the hysteresis, which is entirely attributed to strain-induced crystallization. In this work, we propose a micromechanically motivated material model for strain-induced crystallization in rubbers. Our point of departure is constructing a micromechanical model for a single crystallizing polymer chain. Subsequently, a thermodynamically consistent evolution law describing the kinetics of crystallization on the chain level is proposed. This chain model is then incorporated into the affine microsphere model. Finally, the model is numerically implemented and its performance is compared to experimental data.

Inference of stress and texture from angular dependence of ultrasonic plate mode velocities

NASA Technical Reports Server (NTRS)

Thompson, R. B.; Smith, J. F.; Lee, S. S.

1986-01-01

The theory for the angular dependence of the ultrasonic wave velocity in a symmetry plane of an orthorhombic, stressed material is presented. The two waves having polarizations in this plane are shown to have velocities which can be estimated from measurements of the SH sub 0 and S sub 0 guided modes of a thin plate: the relationship being exact for the SH sub 0 mode and requiring a 10% correction for the S sub 0 mode at long wavelength. It is then shown how stress and texture can be independently inferred from various features of the angular dependence of these two velocities. From the SH sub 0 data, the ability to determine the directions and differences in magnitudes of principal stresses is described and supported by experimental data on several materials. From a combination of the SH sub 0 and S sub 0 data, a procedure is proposed for determining the coefficients W sub 400, W sub 420 and W sub 440 of an expansion of the crystallite orientation distribution function in terms of generalized Legendre functions. Possible applications in process control are indicated.

Atomistic modeling of interphases in spider silk fibers

NASA Astrophysics Data System (ADS)

Fossey, Stephen Andrew

The objective of this work is to create an atomistic model to account for the unusual physical properties of silk fibers. Silk fibers have exceptional mechanical toughness, which makes them of interest as high performance fibers. In order to explain the toughness, a model for the molecular structure based on simple geometric reasoning was formulated. The model consists of very small crystallites, on the order of 5 nm, connected by a noncrystalline interphase. The interphase is a region between the crystalline phase and the amorphous phase, which is defined by the geometry of the system. The interphase is modeled as a very thin (<5 nm) film of noncrystalline polymer constructed using a Monte Carlo, rotational isomeric states approach followed by simulated annealing in order to achieve equilibrium chain configurations and density. No additional assumptions are made about density, orientation, or packing. The mechanical properties of the interphase are calculated using the method of Theodoreau and Suter. Finally, observable properties such as wide angle X-ray scattering and methyl rotation rates are calculated and compared with experimental data available in the literature.

Vibrational algorithms for quantitative crystallographic analyses of hydroxyapatite-based biomaterials: II, application to decayed human teeth.

PubMed

Adachi, Tetsuya; Pezzotti, Giuseppe; Yamamoto, Toshiro; Ichioka, Hiroaki; Boffelli, Marco; Zhu, Wenliang; Kanamura, Narisato

2015-05-01

A systematic investigation, based on highly spectrally resolved Raman spectroscopy, was undertaken to research the efficacy of vibrational assessments in locating chemical and crystallographic fingerprints for the characterization of dental caries and the early detection of non-cavitated carious lesions. Raman results published by other authors have indicated possible approaches for this method. However, they conspicuously lacked physical insight at the molecular scale and, thus, the rigor necessary to prove the efficacy of this spectroscopy method. After solving basic physical challenges in a companion paper, we apply them here in the form of newly developed Raman algorithms for practical dental research. Relevant differences in mineral crystallite (average) orientation and texture distribution were revealed for diseased enamel at different stages compared with healthy mineralized enamel. Clear spectroscopy features could be directly translated in terms of a rigorous and quantitative classification of crystallography and chemical characteristics of diseased enamel structures. The Raman procedure enabled us to trace back otherwise invisible characteristics in early caries, in the translucent zone (i.e., the advancing front of the disease) and in the body of lesion of cavitated caries.

Experimental Plan for EDF Energy Creep Rabbit Graphite Irradiations- Rev. 2 (replaces Rev. 0 ORNL/TM/2013/49).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Burchell, Timothy D

2014-07-01

The experimental results obtained here will assist in the development and validation of future models of irradiation induced creep of graphite by providing the following data: Inert creep stain data from low to lifetime AGR fluence Inert creep-property data (especially CTE) from low to lifetime AGR fluence Effect of oxidation on creep modulus (by indirect comparison with experiment 1 and direct comparison with experiment 3 NB. Experiment 1 and 3 are not covered here) Data to develop a mechanistic understanding, including oAppropriate creep modulus (including pinning and high dose effects on structure) oInvestigation of CTE-creep strain behavior under inert conditionsmore » oInformation on the effect of applied stress/creep strain on crystallite orientation (requires XRD) oEffect of creep strain on micro-porosity (requires tomography & microscopy) This document describes the experimental work planned to meet the requirements of project technical specification [1] and EDF Energy requests for additional Pre-IE work. The PIE work is described in detail in this revision (Section 8 and 9).« less

Calculation of Debye-Scherrer diffraction patterns from highly stressed polycrystalline materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

MacDonald, M. J., E-mail: macdonm@umich.edu; SLAC National Accelerator Laboratory, Menlo Park, California 94025; Vorberger, J.

2016-06-07

Calculations of Debye-Scherrer diffraction patterns from polycrystalline materials have typically been done in the limit of small deviatoric stresses. Although these methods are well suited for experiments conducted near hydrostatic conditions, more robust models are required to diagnose the large strain anisotropies present in dynamic compression experiments. A method to predict Debye-Scherrer diffraction patterns for arbitrary strains has been presented in the Voigt (iso-strain) limit [Higginbotham, J. Appl. Phys. 115, 174906 (2014)]. Here, we present a method to calculate Debye-Scherrer diffraction patterns from highly stressed polycrystalline samples in the Reuss (iso-stress) limit. This analysis uses elastic constants to calculate latticemore » strains for all initial crystallite orientations, enabling elastic anisotropy and sample texture effects to be modeled directly. The effects of probing geometry, deviatoric stresses, and sample texture are demonstrated and compared to Voigt limit predictions. An example of shock-compressed polycrystalline diamond is presented to illustrate how this model can be applied and demonstrates the importance of including material strength when interpreting diffraction in dynamic compression experiments.« less

DNA-linked NanoParticle Lattices with Diamond Symmetry: Stability, Shape and Optical Properties

NASA Astrophysics Data System (ADS)

Emamy, Hamed; Tkachenko, Alexei; Gang, Oleg; Starr, Francis

The linking of nanoparticles (NP) by DNA has been proven to be an effective means to create NP lattices with specific order. Lattices with diamond symmetry are predicted to offer novel photonic properties, but self-assembly of such lattices has proven to be challenging due to the low packing fraction, sensitivity to bond orientation, and local heterogeneity. Recently, we reported an approach to create diamond NP lattices based on the association between anisotropic particles with well-defined tetravalent DNA binding topology and isotropically functionalized NP. Here, we use molecular dynamics simulations to evaluate the Gibbs free energy of these lattices, and thereby determine the stability of these lattices as a function of NP size and DNA stiffness. We also predict the equilibrium shape for the cubic diamond crystallite using the Wulff construction method. Specifically, we predict the equilibrium shape using the surface energy for different crystallographic planes. We evaluate surface energy directly form molecular dynamics simulation, which we correlate with theoretical estimates from the expected number of broken DNA bonds along a facet. Furthermore we study the optical properties of this structure, e.g optical bandgap.

First principles study of biomineral hydroxyapatite

NASA Astrophysics Data System (ADS)

Slepko, Alexander

2010-03-01

Hydroxyapatite (HA) [Ca10(PO4)6(OH)2] is one of the most abundant materials in mammal bone. It crystallizes within the spaces between the tropocollagen chains and strengthens the bone tissue. The mineral content of human bone increases with age reaching a maximum value from which it starts to decrease leading to diseases such as osteomalacia. Therefore, an emergent application of this study is bone repair and the production of synthetic bone. Despite its importance, little is known about the growth of HA crystallites in bones. Nor is it well understood how the HA attaches to protein chains and interacts with the surrounding aqueous solution. Using density functional theory (DFT) we calculate the theoretical ground state structure, electronic and vibration properties of hexagonal HA. We find several low energy structures and analyze the energy barriers for spontaneous phase transitions. We calculate the phonon density of states and study the surface energetics for different orientations. We identify the surfaces with highest reactivity using the frontier orbital approach and analyze interactions between these surfaces and water molecules/amino acids.

Micropatterned 2D Hybrid Perovskite Thin Films with Enhanced Photoluminescence Lifetimes.

PubMed

Kamminga, Machteld E; Fang, Hong-Hua; Loi, Maria Antonietta; Ten Brink, Gert H; Blake, Graeme R; Palstra, Thomas T M; Ten Elshof, Johan E

2018-04-18

The application of luminescent materials in display screens and devices requires micropatterned structures. In this work, we have successfully printed microstructures of a two-dimensional (2D), orange-colored organic/inorganic hybrid perovskite ((C 6 H 5 CH 2 NH 3 ) 2 PbI 4 ) using two different soft lithography techniques. Notably, both techniques yield microstructures with very high aspect ratios in the range of 1.5-1.8. X-ray diffraction reveals a strong preferential orientation of the crystallites along the c-axis in both patterned structures, when compared to nonpatterned, drop-casted thin films. Furthermore, (time-resolved) photoluminescence (PL) measurements reveal that the optical properties of (C 6 H 5 CH 2 NH 3 ) 2 PbI 4 are conserved upon patterning. We find that the larger grain sizes of the patterned films with respect to the nonpatterned film give rise to an enhanced PL lifetime. Thus, our results demonstrate easy and cost-effective ways to manufacture patterns of 2D organic/inorganic hybrid perovskites, while even improving their optical properties. This demonstrates the potential use of color-tunable 2D hybrids in optoelectronic devices.

Contributions of Raman spectroscopy to the understanding of bone strength.

PubMed

Mandair, Gurjit S; Morris, Michael D

2015-01-01

Raman spectroscopy is increasingly commonly used to understand how changes in bone composition and structure influence tissue-level bone mechanical properties. The spectroscopic technique provides information on bone mineral and matrix collagen components and on the effects of various matrix proteins on bone material properties as well. The Raman spectrum of bone not only contains information on bone mineral crystallinity that is related to bone hardness but also provides information on the orientation of mineral crystallites with respect to the collagen fibril axis. Indirect information on collagen cross-links is also available and will be discussed. After a short introduction to bone Raman spectroscopic parameters and collection methodologies, advances in in vivo Raman spectroscopic measurements for animal and human subject studies will be reviewed. A discussion on the effects of aging, osteogenesis imperfecta, osteoporosis and therapeutic agents on bone composition and mechanical properties will be highlighted, including genetic mouse models in which structure-function and exercise effects are explored. Similarly, extracellular matrix proteins, proteases and transcriptional proteins implicated in the regulation of bone material properties will be reviewed.

Properties of NiO thin films deposited by intermittent spray pyrolysis process

NASA Astrophysics Data System (ADS)

Reguig, B. A.; Khelil, A.; Cattin, L.; Morsli, M.; Bernède, J. C.

2007-02-01

NiO thin films have been grown on glass substrates by intermittent spray pyrolysis deposition of NiCl 2·6H 2O diluted in distilled water, using a simple "perfume atomizer". The effect of the solution molarity on their properties was studied and compared to those of NiO thin films deposited with a classical spray system. It is shown that NiO thin films crystallized in the NiO structure are achieved after deposition. Whatever the precursor molarity, the grain size is around 25-30 nm. The crystallites are preferentially oriented along the (1 1 1) direction. All the films are p-type. However, the thickness and the conductivity of the NiO films depend on the precursor contraction. By comparison with the properties of films deposited by classical spray technique, it is shown that the critical precursor concentration, which induces strong thin films properties perturbations, is higher when a perfume atomizer is used. This broader stability domain can be attributed to better chlorides decomposition during the rest time used in the perfume atomizer technique.

ZnO thin film piezoelectric micromachined microphone with symmetric composite vibrating diaphragm

NASA Astrophysics Data System (ADS)

Li, Junhong; Wang, Chenghao; Ren, Wei; Ma, Jun

2017-05-01

Residual stress is an important factor affecting the sensitivity of piezoelectric micromachined microphone. A symmetric composite vibrating diaphragm was adopted in the micro electro mechanical systems piezoelectric microphone to decrease the residual stress and improve the sensitivity of microphone in this paper. The ZnO film was selected as piezoelectric materials of microphone for its higher piezoelectric coefficient d 31 and lower relative dielectric constant. The thickness optimization of piezoelectric film on square diaphragm is difficult to be fulfilled by analytic method. To optimize the thickness of ZnO films, the stress distribution in ZnO film was analyzed by finite element method and the average stress in different thickness of ZnO films was given. The ZnO films deposited using dc magnetron sputtering exhibits a densely packed structure with columnar crystallites preferentially oriented along (002) plane. The diaphragm of microphone fabricated by micromachining techniques is flat and no wrinkling at corners, and the sensitivity of microphone is higher than 1 mV Pa-1. These results indicate the diaphragm has lower residual stress.

Enamel proteins mitigate mechanical and structural degradations in mature human enamel during acid attack

NASA Astrophysics Data System (ADS)

Lubarsky, Gennady V.; Lemoine, Patrick; Meenan, Brian J.; Deb, Sanjukta; Mutreja, Isha; Carolan, Patrick; Petkov, Nikolay

2014-04-01

A hydrazine deproteination process was used to investigate the role of enamel proteins in the acid erosion of mature human dental enamel. Bright field high resolution transmission electron micrographs and x-ray diffraction analysis show no crystallographic changes after the hydrazine treatment with similar nanoscale hydroxyapatite crystallite size and orientation for sound and de-proteinated enamel. However, the presence of enamel proteins reduces the erosion depth, the loss of hardness and the loss of structural order in enamel, following exposure to citric acid. Nanoindentation creep is larger for sound enamel than for deproteinated enamel but it reduces in sound enamel after acid attack. These novel results are consistent with calcium ion-mediated visco-elasticty in enamel matrix proteins as described previously for nacre, bone and dental proteins. They are also in good agreement with a previous double layer force spectroscopy study by the authors which found that the proteins electrochemically buffer enamel against acid attack. Finally, this suggests that acid attack, and more specifically dental erosion, is influenced by ionic permeation through the enamel layer and that it is mitigated by the enamel protein matrix.

Deposition of Nanostructured CdS Thin Films by Thermal Evaporation Method: Effect of Substrate Temperature

PubMed Central

Memarian, Nafiseh; Rozati, Seyeed Mohammad; Concina, Isabella

2017-01-01

Nanocrystalline CdS thin films were grown on glass substrates by a thermal evaporation method in a vacuum of about 2 × 10−5 Torr at substrate temperatures ranging between 25 °C and 250 °C. The physical properties of the layers were analyzed by transmittance spectra, XRD, SEM, and four-point probe measurements, and exhibited strong dependence on substrate temperature. The XRD patterns of the films indicated the presence of single-phase hexagonal CdS with (002) orientation. The structural parameters of CdS thin films (namely crystallite size, number of grains per unit area, dislocation density and the strain of the deposited films) were also calculated. The resistivity of the as-deposited films were found to vary in the range 3.11–2.2 × 104 Ω·cm, depending on the substrate temperature. The low resistivity with reasonable transmittance suggest that this is a reliable way to fine-tune the functional properties of CdS films according to the specific application. PMID:28773133

Thermally induced texture flip in semiconducting polymer stabilized by epitaxial relationship

NASA Astrophysics Data System (ADS)

O'Hara, Kathryn A.; Pokuri, Balaji S. S.; Takacs, Christopher J.; Beaujuge, Pierre M.; Ganapathysubramanian, Baskar; Chabinyc, Michael L.

The morphology of semiconducting polymer films has a large effect on the charge transport properties. Charges can move easily along the conjugated backbone and in the pi-pi stacking direction. However, transport through the film is determined by the connectivity between domains, which is not well understood. We previously observed quadrites in the polymer, PSBTBT, and proposed that the preferential overlap between lamellae may improve connectivity and provide an additional conduction pathway. Now, the presence of quadrites is revealed in another successful donor polymer, PBDTTPD, using high resolution transmission electron microscopy (HRTEM). A study of how side-chain substitution affects the epitaxial crossing is conducted by examining several PBDTTPD derivatives. The stability of the film texture with annealing is also examined as a function of quadrite formation. It has been shown that heating some semicrystalline polymers above the melting temperature and slow cooling can flip the lamellar texture from face-on to edge-on. We hypothesize that the orientation of lamellar crystallites in PBDTTPD films is stabilized by the epitaxial overlap between adjacent crystalline domains. This may have important implications for the electronic transport properties.

Actin cable dynamics in budding yeast

PubMed Central

Yang, Hyeong-Cheol; Pon, Liza A.

2002-01-01

Actin cables, bundles of actin filaments that align along the long axis of budding yeast, are crucial for establishment of cell polarity. We fused green fluorescent protein (GFP) to actin binding protein 140 (Abp140p) and visualized actin cable dynamics in living yeast. We detected two populations of actin cables: (i) bud-associated cables, which extend from the bud along the mother-bud axis, and (ii) randomly oriented cables, which are relatively short. Time-lapse imaging of Abp140p–GFP revealed an apparent increase in the length of bud-associated actin cables. Analysis of movement of Abp140p–GFP fiduciary marks on bud-associated cables and fluorescence loss in photobleaching experiments revealed that this apparent elongation occurs by assembly of new material at the end of the cable within the bud and movement of the opposite end of the cable toward the tip of the mother cell distal to the bud. The rate of extension of the tip of an elongating actin cable is 0.29 ± 0.08 μm/s. Latrunculin A (Lat-A) treatment completely blocked this process. We also observed movement of randomly oriented cables around the cortex of cells at a rate of 0.59 ± 0.14 μm/s. Mild treatment with Lat-A did not affect the velocity of movement of randomly oriented cables. However, Lat-A treatment did increase the number of randomly oriented, motile cables per cell. Our observations suggest that establishment of bud-associated actin cables during the cell cycle is accomplished not by realignment of existing cables but by assembly of new cables within the bud or bud neck, followed by elongation. PMID:11805329

Optical hyperpolarization of 13C nuclear spins in nanodiamond ensembles

NASA Astrophysics Data System (ADS)

Chen, Q.; Schwarz, I.; Jelezko, F.; Retzker, A.; Plenio, M. B.

2015-11-01

Dynamical nuclear polarization holds the key for orders of magnitude enhancements of nuclear magnetic resonance signals which, in turn, would enable a wide range of novel applications in biomedical sciences. However, current implementations of DNP require cryogenic temperatures and long times for achieving high polarization. Here we propose and analyze in detail protocols that can achieve rapid hyperpolarization of 13C nuclear spins in randomly oriented ensembles of nanodiamonds at room temperature. Our protocols exploit a combination of optical polarization of electron spins in nitrogen-vacancy centers and the transfer of this polarization to 13C nuclei by means of microwave control to overcome the severe challenges that are posed by the random orientation of the nanodiamonds and their nitrogen-vacancy centers. Specifically, these random orientations result in exceedingly large energy variations of the electron spin levels that render the polarization and coherent control of the nitrogen-vacancy center electron spins as well as the control of their coherent interaction with the surrounding 13C nuclear spins highly inefficient. We address these challenges by a combination of an off-resonant microwave double resonance scheme in conjunction with a realization of the integrated solid effect which, together with adiabatic rotations of external magnetic fields or rotations of nanodiamonds, leads to a protocol that achieves high levels of hyperpolarization of the entire nuclear-spin bath in a randomly oriented ensemble of nanodiamonds even at room temperature. This hyperpolarization together with the long nuclear-spin polarization lifetimes in nanodiamonds and the relatively high density of 13C nuclei has the potential to result in a major signal enhancement in 13C nuclear magnetic resonance imaging and suggests functionalized and hyperpolarized nanodiamonds as a unique probe for molecular imaging both in vitro and in vivo.

Self-composite comprised of nanocrystalline diamond and a non-diamond component useful for thermoelectric applications

DOEpatents

Gruen, Dieter M.

2012-09-04

One provides nanocrystalline diamond material that comprises a plurality of substantially ordered diamond crystallites that are sized no larger than about 10 nanometers. One then disposes a non-diamond component within the nanocrystalline diamond material. By one approach this non-diamond component comprises an electrical conductor that is formed at the grain boundaries that separate the diamond crystallites from one another. The resultant nanowire is then able to exhibit a desired increase with respect to its ability to conduct electricity while also preserving the thermal conductivity behavior of the nanocrystalline diamond material.

Self-composite comprised of nanocrystalline diamond and a non-diamond component useful for thermoelectric applications

DOEpatents

Gruen, Dieter M [Downers Grove, IL

2009-08-11

One provides nanocrystalline diamond material that comprises a plurality of substantially ordered diamond crystallites that are sized no larger than about 10 nanometers. One then disposes a non-diamond component within the nanocrystalline diamond material. By one approach this non-diamond component comprises an electrical conductor that is formed at the grain boundaries that separate the diamond crystallites from one another. The resultant nanowire is then able to exhibit a desired increase with respect to its ability to conduct electricity while also preserving the thermal conductivity behavior of the nanocrystalline diamond material.

Electron-Beam Deposition of Superconducting Molybdenum Thin Films for the Development of Mo/Au TES X-Ray Microcalorimeter

NASA Technical Reports Server (NTRS)

Finkbeiner, Fred Michael; Adams, Joseph S.; Bandler, Simon R.; Betancour-Martinez, Gabriele L.; Brown, Ari David; Chang, Meng-Ping; Chervenak, James A.; Chiao, Meng P.; Datesman, Aaron; Eckart, Megan E.;

Grain size effect on activation energy in spinel CoFe{sub 2}O{sub 4} ceramic

DOE Office of Scientific and Technical Information (OSTI.GOV)

Supriya, Sweety, E-mail: sweety@iitp.ac.in; Kumar, Sunil; Kar, Manoranjan

2016-05-23

Cobalt ferrite of different average crystallites (from nanocrystallite to micro crystallites) has been prepared by the Sol-Gel Method. The X-ray diffraction (XRD) analysis confirms the cubic spinel phase with no trace of impurity phases. The effect of annealing temperature on micro structure and electric transport properties as a function of frequency and temperature has been studied. It is observed that the electric impedance and conductivity are strongly dependent on grain size. The impedance spectroscopic study is employed to understand the electrical transport properties of cobalt ferrite.

Value Orientation of Singapore Adolescents Towards Truthfulness, Justice and Compassion.

ERIC Educational Resources Information Center

Seng, SeokHoon; Siang, Low Meow; Wei, Tan Tai

This study examined the value orientation of Singapore adolescents toward the three fundamental values of truthfulness, justice, and compassion. A random sample of 315 secondary school students from 4 schools in Singapore (135 males and 180 females) completed a questionnaire, and a select sample of 19 students completed interviews about their…

Psychological Sources of Systematic Rejection Among White and Black Adolescents.

ERIC Educational Resources Information Center

Long, Samuel

In this study, individual-oriented and system-oriented models of systemic rejection among white and black adolescents are investigated. Systemic rejection is defined as attitudes of political alienation and political violence justification. Twelve hypotheses were generated and tested using survey data collected in May 1976 from a random sample of…

Demographic influences on environmental value orientations and normative beliefs about national forest management

Treesearch

Jerry J. Vaske; Maureen P. Donnelly; Daniel R. Williams; Sandra Jonker

2001-01-01

Using the cognitive hierarchy as the theoretical foundation, this article examines the predictive influence of individuals' demographic characteristics on environmental value orientations and normative beliefs about national forest management. Data for this investigation were obtained from a random sample of Colorado residents (n = 960). As predicted by theory, a...

The Effects on Students' Conceptual Understanding of Electric Circuits of Introducing Virtual Manipulatives within a Physical Manipulatives-Oriented Curriculum

ERIC Educational Resources Information Center

Zacharia, Zacharias C.; de Jong, Ton

2014-01-01

This study investigates whether Virtual Manipulatives (VM) within a Physical Manipulatives (PM)-oriented curriculum affect conceptual understanding of electric circuits and related experimentation processes. A pre-post comparison study randomly assigned 194 undergraduates in an introductory physics course to one of five conditions: three…

Books and babies: clinical-based literacy programs.

PubMed

Fortman, Kristine K; Fisch, Robert O; Phinney, Margaret Y; Defor, Terese A

2003-01-01

The purpose of this study was to assess parental response to a clinic-based literacy program at a health maintenance organization. It was hypothesized that participation would be associated with increased literacy orientation by children. This randomized community trial took place at a Midwestern health maintenance organization. Six clinics were paired and randomly assigned to participate or not participate in Project Read. The main outcome variable was literacy orientation (book use). The target population was parents of children younger than 12 months (N = 165). After 6 months of participation, parents were surveyed by telephone. Seventy-five percent and 77% of the treatment and control groups, respectively, had positive literacy orientation; this difference was not significant. Persons receiving a videotape were more likely to have a positive literacy orientation (82.9% vs 69.2%; P <.05). The multivariate regression analyses also showed that receiving the free videotape was a significant intervention exposure. The members of the population in this study are reading to their children. Parents who receive a videotape on the importance of reading are likely to read more to their children.

DNA-fiber EPR investigation of the influence of amino-terminal residue stereochemistry on the DNA binding orientation of Cu(II)•Gly-Gly-His-derived metallopeptides

PubMed Central

Hamada, Hirokazu; Abe, Yuko; Nagane, Ryoichi; Fang, Ya-Yin; Lewis, Mark A.; Long, Eric C.; Chikira, Makoto

2007-01-01

DNA fiber EPR was used to investigate the DNA binding stabilities and orientations of Cu(II)•Gly-Gly-His-derived metallopeptides containing d- vs. l-amino acid substitutions in the first peptide position. This examination included studies of Cu(II)•d-Arg-Gly-His and Cu(II)•d-Lys-Gly-His for comparison to metallopeptides containing l-Arg/Lys substitutions, and also the diastereoisomeric pairs Cu(II)•d/l-Pro-Gly-His and Cu(II)•d/l-Pro-Lys-His. Results indicated that l-Arg/Lys to d-Arg/Lys substitutions considerably randomized the orientation of the metallopeptides on DNA whereas the replacement of l-Pro by d-Pro in Cu(II)•l-Pro-Gly-His caused a decrease in randomness. The difference in the extent of randomness of d- vs. l-Pro-Gly-His complexes was diminished through the substitution of Gly for Lys in the middle peptide position, supporting the notion that the ε-amino group of Lys triggered further randomization, likely through hydrogen bonding or electrostatic interactions that disrupt binding of the metallopeptide equatorial plane and the DNA. The relationship between the stereochemistry of amino acid residues and the binding and reaction of M(II)•Xaa-Xaa’-His metallopeptides with DNA are also discussed. PMID:17706784

Far field beam pattern of one MW combined beam of laser diode array amplifiers for space power transmission

NASA Technical Reports Server (NTRS)

Kwon, Jin H.; Lee, Ja H.

1989-01-01

The far-field beam pattern and the power-collection efficiency are calculated for a multistage laser-diode-array amplifier consisting of about 200,000 5-W laser diode arrays with random distributions of phase and orientation errors and random diode failures. From the numerical calculation it is found that the far-field beam pattern is little affected by random failures of up to 20 percent of the laser diodes with reference of 80 percent receiving efficiency in the center spot. The random differences in phases among laser diodes due to probable manufacturing errors is allowed to about 0.2 times the wavelength. The maximum allowable orientation error is about 20 percent of the diffraction angle of a single laser diode aperture (about 1 cm). The preliminary results indicate that the amplifier could be used for space beam-power transmission with an efficiency of about 80 percent for a moderate-size (3-m-diameter) receiver placed at a distance of less than 50,000 km.

Wetting morphologies on randomly oriented fibers.

PubMed

Sauret, Alban; Boulogne, François; Soh, Beatrice; Dressaire, Emilie; Stone, Howard A

2015-06-01

We characterize the different morphologies adopted by a drop of liquid placed on two randomly oriented fibers, which is a first step toward understanding the wetting of fibrous networks. The present work reviews previous modeling for parallel and touching crossed fibers and extends it to an arbitrary orientation of the fibers characterized by the tilting angle and the minimum spacing distance. Depending on the volume of liquid, the spacing distance between fibers and the angle between the fibers, we highlight that the liquid can adopt three different equilibrium morphologies: 1) a column morphology in which the liquid spreads between the fibers, 2) a mixed morphology where a drop grows at one end of the column or 3) a single drop located at the node. We capture the different morphologies observed using an analytical model that predicts the equilibrium configuration of the liquid based on the geometry of the fibers and the volume of liquid.

TENOGENIC DIFFERENTIATION OF HUMAN MSCs INDUCED BY THE TOPOGRAPHY OF ELECTROCHEMICALLY ALIGNED COLLAGEN THREADS

PubMed Central

Kishore, Vipuil; Bullock, Whitney; Sun, Xuanhao; Van Dyke, William Scott; Akkus, Ozan

2011-01-01

Topographical cues from the extracellular microenvironment can influence cellular activity including proliferation and differentiation. Information on the effects of material topography on tenogenic differentiation of human mesenchymal stem cells (human MSCs) is limited. A methodology using the principles of isoelectric focusing has previously been developed in our laboratory to synthesize electrochemically aligned collagen (ELAC) threads that mimics the packing density, alignment and strength of collagen dense connective tissues. In the current study, human MSCs were cultured on ELAC and randomly-oriented collagen threads and the effect of collagen orientation on cell morphology, proliferation and tenogenic differentiation was investigated. The results indicate that higher rates of proliferation were observed on randomly oriented collagen threads compared to ELAC threads. On the other hand, tendon specific markers such as scleraxis, tenomodulin, tenascin-C and collagen-III were significantly increased on ELAC threads compared to randomly oriented collagen threads. Additionally, osteocalcin, a specific marker of bone differentiation was suppressed on ELAC threads. Previous studies have reported that BMP-12 is a key growth factor to induce tenogenic differentiation of human MSCs. To evaluate the synergistic effect of BMP-12 and collagen orientation, human MSCs were cultured on ELAC threads in culture medium supplemented with and without BMP-12. The results revealed that BMP-12 did not have an additional effect on the tenogenic differentiation of human MSCs on ELAC threads. Together, these results suggest that ELAC induces tenogenic differentiation of human MSCs by presenting an aligned and dense collagen substrate, akin to the tendon itself. In conclusion, ELAC has a significant potential to be used as a tendon replacement and in the development of an osteotendinous construct towards the regeneration of bone-tendon interfaces. PMID:22177622

Nanostructuring on zinc phthalocyanine thin films for single-junction organic solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chaudhary, Dhirendra K.; Kumar, Lokendra, E-mail: lokendrakr@allduniv.ac.in

2016-05-23

Vertically aligned and random oriented crystalline molecular nanorods of organic semiconducting Zinc Phthalocyanine (ZnPc) have been grown on ITO coated glass substrate using solvent volatilization method. Interesting changes in surface morphology were observed under different solvent treatment. Vertically aligned nanorods of ZnPc thin film were observed in the films treated with acetone, where as the random oriented nanorods were observed in the films treated with chloroform. The X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM) have been used for characterization of nanostructures. The optical properties of the nanorods have been investigated by UV-Vis. absorption spectroscopy.

The Multi-Orientable Random Tensor Model, a Review

NASA Astrophysics Data System (ADS)

Tanasa, Adrian

2016-06-01

After its introduction (initially within a group field theory framework) in [Tanasa A., J. Phys. A: Math. Theor. 45 (2012), 165401, 19 pages, arXiv:1109.0694], the multi-orientable (MO) tensor model grew over the last years into a solid alternative of the celebrated colored (and colored-like) random tensor model. In this paper we review the most important results of the study of this MO model: the implementation of the 1/N expansion and of the large N limit (N being the size of the tensor), the combinatorial analysis of the various terms of this expansion and finally, the recent implementation of a double scaling limit.

Deconvolution of Composition and Crystallite Size of Silver Hollandite Nanorods: Influence on Electrochemistry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Durham, Jessica L.; Huang, Jianping; Zhang, Bingjie

In this paper, silver hollandite (Ag 1.4Mn 8O 16) has been synthesized by an aqueous, low-temperature co-precipitation technique to afford silver hollandite with distinct crystallite sizes (10 and 15 nm, identified as S-Ag 1.4Mn 8O 16 and L-Ag 1.4Mn 8O 16, respectively) and equivalent silver content (x), allowing for the deconvolution of electrochemical effects related to crystallite size and silver content. The as-prepared silver hollandite materials were confirmed to be structurally analogous. Notably, TEM imaging reveals a high degree of bundling of S-Ag 1.4Mn 8O 16 nanorods compared to L-Ag 1.4Mn 8O 16 which facilitates more intimate connection of themore » S-Ag 1.4Mn 8O 16 material with enhanced interparticle contact. The electrochemical behavior and lithium diffusion properties were investigated by galvanostatic cycling, CV, electrochemical impedance, pulsed-discharge experiments, and ex-situ XAS analysis of cycled cathodes. Lithium based electrochemical cells containing S-Ag 1.4Mn 8O 16 delivered a capacity 15X higher than L-Ag 1.4Mn 8O 16 on cycle 1. Ex-situ XAS demonstrated structural change for S-Ag 1.4Mn 8O 16 and formation of Ag 0 on insertion of 3.8 Li + intercalation. However, the samples of L-Ag 1.4Mn 8O 16 were lithiated by a more limited 0.25 molar equivalents, where no significant structural changes were observed. Finally, the findings affirm crystallite size significantly impacts electrochemistry independent of cation occupancy of the α-MnO 2 type structure.« less

Empirical test of an illite/muscovite 40Ar/39Ar thermochronometer

NASA Astrophysics Data System (ADS)

Verdel, C.; van der Pluijm, B. A.; Niemi, N. A.; Hall, C. M.

2010-12-01

Minerals which both preserve age information and indicate metamorphic conditions are particularly useful in thermochronology. Variations in sub-greenschist facies metamorphism have traditionally been quantified in terms of the illite to muscovite transition, a transformation which involves the growth of crystallites of increasing thickness at higher metamorphic temperatures. Thickness variations may influence Ar retention within these K-rich minerals, both in nature and during neutron irradiation. Along a transect in the southwestern US from the Grand Canyon to Death Valley, metamorphic conditions of a stratigraphic interval (the Middle Cambrian Bright Angel Shale and laterally equivalent Carrara Fm.) range from zeolite facies in the east to greenschist facies in the west, as determined by estimating illite crystallite thickness with X-ray diffraction. 40Ar/39Ar step-heating experiments were conducted on illite/muscovite-rich, micron to submicron grain sizes of these shales that were encapsulated in quartz tubes prior to irradiation. The proportion of 39Ar expelled during irradiation decreases in these samples as both crystallite thickness and grain size increases. Spectra from the least metamorphosed samples (diagenetic zone) are staircase-shaped and reach maximum ages that appear to reflect the age of detrital muscovite. Spectra from the highest grade samples (epizone) display partial plateaus and yield much younger maximum ages. Based on these findings we conclude that Ar can escape from illite via two processes: loss from low retention sites on crystallite edges and c-axis perpendicular volume diffusion. Based on our empirical data, the closure temperature of illite appears to lie at or near the anchizone-epizone bounday, or roughly 200-300 °C. Illite/muscovite thickness and 40Ar/39Ar data may therefore be useful for studies of detrital muscovite geochronology in very low grade shales and as a thermochronometer for higher grade pelites.

Strain and grain size of TiO2 nanoparticles from TEM, Raman spectroscopy and XRD: The revisiting of the Williamson-Hall plot method

NASA Astrophysics Data System (ADS)

Kibasomba, Pierre M.; Dhlamini, Simon; Maaza, Malik; Liu, Chuan-Pu; Rashad, Mohamed M.; Rayan, Diaa A.; Mwakikunga, Bonex W.

2018-06-01

The Williamson-Hall (W-H) equation, which has been used to obtain relative crystallite sizes and strains between samples since 1962, is revisited. A modified W-H equation is derived which takes into account the Scherrer equation, first published in 1918, (which traditionally gives more absolute crystallite size prediction) and strain prediction from Raman spectra. It is found that W-H crystallite sizes are on average 2.11 ± 0.01 times smaller than the sizes from Scherrer equation. Furthermore the strain from the W-H plots when compared to strain obtained from Raman spectral red-shifts yield factors whose values depend on the phases in the materials - whether anatase, rutile or brookite. Two main phases are identified in the annealing temperatures (350 °C-700 °C) chosen herein - anatase and brookite. A transition temperature of 550 °C has been found for nano-TiO2 to irreversibly transform from brookite to anatase by plotting the Raman peak shifts against the annealing temperatures. The W-H underestimation on the strain in the brookite phase gives W-H/Raman factor of 3.10 ± 0.05 whereas for the anatase phase, one gets 2.46 ± 0.03. The new βtot2cos2θ-sinθ plot and when fitted with a polynomial yield less strain but much better matching with experimental TEM crystallite sizes and the agglomerates than both the traditional Williamson-Hall and the Scherrer methods. There is greater improvement in the model when linearized - that is the βtotcos2θ-sinθ plot rather than the βtot2cos2θ-sinθ plot.

The effect of milling time and sintering temperature on Mn, Ti substituted barium hexaferrite nanoparticle

NASA Astrophysics Data System (ADS)

Yustanti, Erlina; Manaf, Azwar

2018-04-01

Barium hexaferrite (BaO.6Fe2O3/BaFe12O19) is a permanent magnetic material and microwave absorbing material. The value of microwave absorption can be increased through the engineering of the material structure, while the reduction of crystallite and particle size up to nanometer results device performance improvement to be superior. In this research, the structural engineering through mechanical alloying and crystallite size reduction through high power ultrasonic irradiation will be explained. Mixing and alloying of Sigma Aldrich BaCO3, Fe2O3, MnCO3, TiO2 p.a 99% precursor material used ball mill with powder ratio of vial at 1:10. Mechanical alloying for 60 hours at 160 rpm produced amorphous material. The process of the crystalline embryo nucleation for 4 hours produced multicrystalline material at a sinter temperature of 1100°C. Phase analysis of the mechanical alloying result using x-ray diffractometer was confirmed either the formation of BaO.6Fe2-xMnx/2Tix/2O3 (x=0.5) single phase. Multicrystalline powder of BaO.6Fe2-xMnx/2Tix/2O3 (x=0.5) was obtained through 20 hours hand grinding and re-milling to bulk sample. Crystallite size reduction in the analysis was conducted through particle density variation in ultrasonic reactor and variation of the increase in ultrasonic time. Increase in milling time up to 60 hours produced fragmenting so that particle size reduction from 18.8 µm to 0.9 µm was occurred. The 12-h ultrasonic irradiation at a frequency of 20 kHz amplitude of 60 µm produced a crystallite-size reduction up to 18 nm at a 10 g/L particle density.

Deconvolution of Composition and Crystallite Size of Silver Hollandite Nanorods: Influence on Electrochemistry

DOE PAGES

Durham, Jessica L.; Huang, Jianping; Zhang, Bingjie; ...

2017-12-16

In this paper, silver hollandite (Ag 1.4Mn 8O 16) has been synthesized by an aqueous, low-temperature co-precipitation technique to afford silver hollandite with distinct crystallite sizes (10 and 15 nm, identified as S-Ag 1.4Mn 8O 16 and L-Ag 1.4Mn 8O 16, respectively) and equivalent silver content (x), allowing for the deconvolution of electrochemical effects related to crystallite size and silver content. The as-prepared silver hollandite materials were confirmed to be structurally analogous. Notably, TEM imaging reveals a high degree of bundling of S-Ag 1.4Mn 8O 16 nanorods compared to L-Ag 1.4Mn 8O 16 which facilitates more intimate connection of themore » S-Ag 1.4Mn 8O 16 material with enhanced interparticle contact. The electrochemical behavior and lithium diffusion properties were investigated by galvanostatic cycling, CV, electrochemical impedance, pulsed-discharge experiments, and ex-situ XAS analysis of cycled cathodes. Lithium based electrochemical cells containing S-Ag 1.4Mn 8O 16 delivered a capacity 15X higher than L-Ag 1.4Mn 8O 16 on cycle 1. Ex-situ XAS demonstrated structural change for S-Ag 1.4Mn 8O 16 and formation of Ag 0 on insertion of 3.8 Li + intercalation. However, the samples of L-Ag 1.4Mn 8O 16 were lithiated by a more limited 0.25 molar equivalents, where no significant structural changes were observed. Finally, the findings affirm crystallite size significantly impacts electrochemistry independent of cation occupancy of the α-MnO 2 type structure.« less

Microstructure of Al2O3 scales formed on NiCrAl alloys. Ph.D. Thesis - Case Western Reserve Univ.

NASA Technical Reports Server (NTRS)

Smialek, J. L.

1981-01-01

The structure of transient scales formed on pure and Y or Zr-doped Ni-15Cr-13Al alloys oxidized for 0.1 hr at 1100 C was studied by the use of transmission electron microscopy. Crystallographically oriented scales were found on all three alloys, but especially for the Zr-doped NiCrAl. The oriented scales consisted of alpha-(Al,Cr)2O3, Ni(Al,Cr)2O4 and gamma-Al2O3. They were often found in intimate contact with each other such that the close-packed planes and directions of one oxide phase were aligned with those of another. The prominent structural features of the oriented scales were approximately equal to micrometer subgrains; voids, antiphase domain boundaries and aligned precipitates were also prevalent. Randomly oriented alpha-Al2O3 was also found and was the only oxide ever observed at the immediate oxide metal interface. These approximately 0.15 micrometer grains were populated by intragranular voids which decreased in size and number towards the oxide metal interface. A sequence of oxidation was proposed in which the composition of the growing scale changed from oriented oxides rich in Ni and Cr to oriented oxides rich in Al. At the same time the structure changed from cubic spinels to hexagonal corundums with apparent precipitates of one phase in the matrix of the other. Eventually randomly oriented pure alpha-Al2O3 formed as the stable oxide with an abrupt transition: there was no gradual loss of orientation, no gradual compositional change or no gradual decrease in precipitate density.

Evolution of Structural and Optical Properties of ZnO Nanorods Grown on Vacuum Annealed Seed Crystallites

PubMed Central

Khan, Fasihullah; Ajmal, Hafiz Muhammad Salman; Huda, Noor Ul; Kim, Ji Hyun; Kim, Sam-Dong

2018-01-01

In this study, the ambient condition for the as-coated seed layer (SL) annealing at 350 °C is varied from air or nitrogen to vacuum to examine the evolution of structural and optical properties of ZnO nanorods (NRs). The NR crystals of high surface density (~240 rods/μm2) and aspect ratio (~20.3) show greatly enhanced (002) degree of orientation and crystalline quality, when grown on the SLs annealed in vacuum, compared to those annealed in air or nitrogen ambient. This is due to the vacuum-annealed SL crystals of a highly preferred orientation toward (002) and large grain sizes. X-ray photoelectron spectroscopy also reveals that the highest O/Zn atomic ratio of 0.89 is obtained in the case of vacuum-annealed SL crystals, which is due to the effective desorption of hydroxyl groups and other contaminants adsorbed on the surface formed during aqueous solution-based growth process. Near band edge emission (ultra violet range of 360–400 nm) of the vacuum-annealed SLs is also enhanced by 44% and 33% as compared to those annealed in air and nitrogen ambient, respectively, in photoluminescence with significant suppression of visible light emission associated with deep level transition. Due to this improvement of SL optical crystalline quality, the NR crystals grown on the vacuum-annealed SLs produce ~3 times higher ultra violet emission intensity than the other samples. In summary, it is shown that the ZnO NRs preferentially grow along the wurtzite c-axis direction, thereby producing the high crystalline quality of nanostructures when they grow on the vacuum-annealed SLs of high crystalline quality with minimized impurities and excellent preferred orientation. The ZnO nanostructures of high crystalline quality achieved in this study can be utilized for a wide range of potential device applications such as laser diodes, light-emitting diodes, piezoelectric transducers and generators, gas sensors, and ultraviolet detectors. PMID:29373523

Do Savings Mediate Changes in Adolescents' Future Orientation and Health-Related Outcomes? Findings From Randomized Experiment in Uganda.

PubMed

Karimli, Leyla; Ssewamala, Fred M

2015-10-01

This present study tests the proposition that an economic strengthening intervention for families caring for AIDS-orphaned adolescents would positively affect adolescent future orientation and psychosocial outcomes through increased asset accumulation (in this case, by increasing family savings). Using longitudinal data from the cluster-randomized experiment, we ran generalized estimating equation models with robust standard errors clustering on individual observations. To examine whether family savings mediate the effect of the intervention on adolescents' future orientation and psychosocial outcomes, analyses were conducted in three steps: (1) testing the effect of intervention on mediator; (2) testing the effect of mediator on outcomes, controlling for the intervention; and (3) testing the significance of mediating effect using Sobel-Goodman method. Asymmetric confidence intervals for mediated effect were obtained through bootstrapping-to address the assumption of normal distribution. Results indicate that participation in a matched Child Savings Account (CSA) program improved adolescents' future orientation and psychosocial outcomes by reducing hopelessness, enhancing self-concept, and improving adolescents' confidence about their educational plans. However, the positive intervention effect on adolescent future orientation and psychosocial outcomes was not transmitted through saving. In other words, participation in the matched CSA program improved adolescent future orientation and psychosocial outcomes regardless of its impact on reported savings. Further research is necessary to understand exactly how participation in economic strengthening interventions, for example, those that employ matched CSAs, shape adolescent future orientation and psychosocial outcomes: what, if not savings, transmits the treatment effect and how? Copyright © 2015 Society for Adolescent Health and Medicine. Published by Elsevier Inc. All rights reserved.

Do savings mediate changes in adolescents’ future orientation and health-related outcomes? Findings from randomized experiment in Uganda

PubMed Central

Karimli, Leyla; Ssewamala, Fred M.

2015-01-01

Purpose This present study tests the proposition that an economic strengthening intervention for families caring for AIDS-orphaned adolescents would positively affect adolescent future orientation and psychosocial outcomes through increased asset-accumulation (in this case, by increasing family savings). Methods Using longitudinal data from the cluster-randomized experiment we ran generalized estimating equation (GEE) models with robust standard errors clustering on individual observations. To examine whether family savings mediate the effect of the intervention on adolescents’ future orientation and psychosocial outcomes, analyses were conducted in three steps: (1) testing the effect of intervention on mediator; (2) testing the effect of mediator on outcomes, controlling for the intervention; and (3) testing the significance of mediating effect using Sobel-Goodman method. Asymmetric confidence intervals for mediated effect were obtained through bootstrapping—to address the assumption of normal distribution. Results Results indicate that participation in a matched Child Savings Account program improved adolescents’ future orientation and psychosocial outcomes by reducing hopelessness, enhancing self-concept, and improving adolescents’ confidence about their educational plans. However, the positive intervention effect on adolescent future orientation and psychosocial outcomes was not transmitted through saving. In other words, participation in the matched Child Savings Account program improved adolescent future orientation and psychosocial outcomes regardless of its impact on reported savings. Conclusions Further research is necessary to understand exactly how participation in economic strengthening interventions, for example, those that employ matched Child Savings Accounts, shape adolescent future orientation and psychosocial outcomes: what, if not savings, transmits the treatment effect and how? PMID:26271162

Do Superior or Inferior Interlaminar Approach or Bevel Orientation Predispose to Nonepidural Needle Penetration?

PubMed

Koontz, Nicholas A; Wiggins, Richard H; Stoddard, Gregory J; Shah, Lubdha M

2017-10-01

There is a paucity of evidence-based literature regarding the advantages and disadvantages of the interlaminar approach and needle bevel orientation for performing a lumbar interlaminar epidural steroid injection (ESI). The purpose of this study was to determine if superior versus inferior lamina approach, needle bevel tip orientation, or both may predispose to inadvertent nonepidural penetration during lumbar interlaminar ESI. A prospective study was performed of patients with low back pain with or without radicular pain or neurogenic claudication referred for lumbar interlaminar ESI. Two hundred eleven patients were randomized by interlaminar approach (superior vs inferior) and bevel tip orientation (cranial vs caudal). Lumbar interlaminar ESI was performed by six interventionalists of varying levels of experience using fluoroscopic guidance with curved tip epidural needles, using loss-of-resistance technique and confirmation with contrast opacification. Exact Poisson regression was used to model the study outcome. Two hundred twenty-one lumbar interlaminar ESIs were performed on 211 patients, randomized to a superior (n = 121) or inferior lamina approach (n = 100) and to a cranial (n = 103) or caudal (n = 118) orientation of the bevel tip. Epidural needle placement was confirmed in 96.4% (n = 213) of cases. Nonepidural needle placement was most commonly associated with superior lamina approach and caudal bevel tip orientation, which was marginally significant (adjusted risk ratio, 6.88; 95% CI, 0.93-∞; p = 0.059). Inadvertent nonepidural needle penetration during fluoroscopically guided lumbar interlaminar ESI appears to be affected by approach, with superior lamina approach and caudal bevel tip orientation being the least favorable technique.

Phototactic orientation mechanism in the ciliate Fabrea salina, as inferred from numerical simulations.

PubMed

Marangoni, R; Preosti, G; Colombetti, G

2000-02-01

The marine ciliate Fabrea salina shows a clear positive phototaxis, but the mechanism by which a single cell is able to detect the direction of light and orient its swimming accordingly is still unknown. A simple model of phototaxis is that of a biased random walk, where the bias due to light can affect one or more of the parameters that characterize a random walk, i.e., the mean speed, the frequency distribution of the angles of directional changes and the frequency of directional changes. Since experimental evidence has shown no effect of light on the mean speed of Fabrea salina, we have excluded models depending on this parameter. We have, therefore, investigated the phototactic orientation of Fabrea salina by computer simulation of two simple models, the first where light affects the frequency distribution of the angles of directional changes (model M1) and the second where the light bias modifies the frequency of directional changes (model M2). Simulated M1 cells directly orient their swimming towards the direction of light, regardless of their current swimming orientation; simulated M2 cells, on the contrary, are unable to actively orient their motion, but remain locked along the light direction once they find it by chance. The simulations show that these two orientation models lead to different macroscopic behaviours of the simulated cell populations. By comparing the results of the simulations with the experimental ones, we have found that the phototactic behaviour of real cells is more similar to that of the M2 model.

Effect of Delay on Search Decisions in a Task-Oriented Reading Environment

ERIC Educational Resources Information Center

Mañá, Amelia; Vidal-Abarca, Eduardo; Salmerón, Ladislao

2017-01-01

The goal of this study was to determine the effect of setting a delay between reading a text and answering comprehension questions on "when"-to-search and "what"-to-search decisions in a task-oriented reading environment. Fifty-five eighth-grade students were randomly divided into two groups. One group read one text, answered…

Intra-Group Motivational Analysis of Students with Learning Disabilities: A Goal Orientation Approach

ERIC Educational Resources Information Center

Sideris, Georgios D.; Tsorbatzoudis, Charalambos

2003-01-01

The purpose of the present study was to profile, using a K-means cluster analysis, the cognitive, motivational, affective, and goal orientation characteristics of elementary school students with and without learning disabilities (LD). Participants were 58 fifth and 6 sixth graders (29 typical and 29 LD) selected using stratified random procedures.…

Do Sex, Sex-Role Orientation, and Exposure to Gender-Congruent Therapy Models Influence Receptivity to Psychotherapy?

ERIC Educational Resources Information Center

Park, Heather L.; Hatchett, Gregory T.

2006-01-01

This study had two objectives. The first objective was to evaluate how well sex and sex-role orientation predicted receptivity to psychotherapy. The second objective was to evaluate whether exposure to gender-congruent therapy videos influenced participants' receptivity to psychotherapy. Participants were randomly assigned to three conditions: (1)…

Fit between Future Thinking and Future Orientation on Creative Imagination

ERIC Educational Resources Information Center

Chiu, Fa-Chung

2012-01-01

The purpose of the current study is to investigate the impact of future thinking, and the fit between future thinking and future orientation on creative thinking. In Study 1, 83 undergraduates were randomly assigned to three groups: 50-year future thinking, 5-year future thinking, and the present-day thinking. First, the priming tasks, in which…

Effects of Coping-Oriented Couples Therapy on Depression: A Randomized Clinical Trial

ERIC Educational Resources Information Center

Bodenmann, Guy; Plancherel, Bernard; Beach, Steven R. H.; Widmer, Kathrin; Gabriel, Barbara; Meuwly, Nathalie; Charvoz, Linda; Hautzinger, Martin; Schramm, Elisabeth

2008-01-01

The aim of this study was to evaluate the effectiveness of treating depression with coping-oriented couples therapy (COCT) as compared with cognitive-behavioral therapy (CBT; A. T. Beck, C. Ward, & M. Mendelson, 1961) and interpersonal psychotherapy (IPT; M. M. Weissman, J. C. Markowitz, & G. L. Klerman, 2000). Sixty couples, including 1…

Realizations of highly heterogeneous collagen networks via stochastic reconstruction for micromechanical analysis of tumor cell invasion

NASA Astrophysics Data System (ADS)

Nan, Hanqing; Liang, Long; Chen, Guo; Liu, Liyu; Liu, Ruchuan; Jiao, Yang

2018-03-01

Three-dimensional (3D) collective cell migration in a collagen-based extracellular matrix (ECM) is among one of the most significant topics in developmental biology, cancer progression, tissue regeneration, and immune response. Recent studies have suggested that collagen-fiber mediated force transmission in cellularized ECM plays an important role in stress homeostasis and regulation of collective cellular behaviors. Motivated by the recent in vitro observation that oriented collagen can significantly enhance the penetration of migrating breast cancer cells into dense Matrigel which mimics the intravasation process in vivo [Han et al. Proc. Natl. Acad. Sci. USA 113, 11208 (2016), 10.1073/pnas.1610347113], we devise a procedure for generating realizations of highly heterogeneous 3D collagen networks with prescribed microstructural statistics via stochastic optimization. Specifically, a collagen network is represented via the graph (node-bond) model and the microstructural statistics considered include the cross-link (node) density, valence distribution, fiber (bond) length distribution, as well as fiber orientation distribution. An optimization problem is formulated in which the objective function is defined as the squared difference between a set of target microstructural statistics and the corresponding statistics for the simulated network. Simulated annealing is employed to solve the optimization problem by evolving an initial network via random perturbations to generate realizations of homogeneous networks with randomly oriented fibers, homogeneous networks with aligned fibers, heterogeneous networks with a continuous variation of fiber orientation along a prescribed direction, as well as a binary system containing a collagen region with aligned fibers and a dense Matrigel region with randomly oriented fibers. The generation and propagation of active forces in the simulated networks due to polarized contraction of an embedded ellipsoidal cell and a small group of cells are analyzed by considering a nonlinear fiber model incorporating strain hardening upon large stretching and buckling upon compression. Our analysis shows that oriented fibers can significantly enhance long-range force transmission in the network. Moreover, in the oriented-collagen-Matrigel system, the forces generated by a polarized cell in collagen can penetrate deeply into the Matrigel region. The stressed Matrigel fibers could provide contact guidance for the migrating cell cells, and thus enhance their penetration into Matrigel. This suggests a possible mechanism for the observed enhanced intravasation by oriented collagen.

Perceived change in orientation from optic flow in the central visual field

NASA Technical Reports Server (NTRS)

Dyre, Brian P.; Andersen, George J.

1988-01-01

The effects of internal depth within a simulation display on perceived changes in orientation have been studied. Subjects monocularly viewed displays simulating observer motion within a volume of randomly positioned points through a window which limited the field of view to 15 deg. Changes in perceived spatial orientation were measured by changes in posture. The extent of internal depth within the display, the presence or absence of visual information specifying change in orientation, and the frequency of motion supplied by the display were examined. It was found that increased sway occurred at frequencies equal to or below 0.375 Hz when motion at these frequencies was displayed. The extent of internal depth had no effect on the perception of changing orientation.