Formation of nano quasicrystalline and crystalline phases by mechanical alloying

International Nuclear Information System (INIS)

Shamah, A.M.; Ibrahim, S.; Hanna, F.F.

2011-01-01

Research highlights: → Mechanical alloying (MA) is an important method to investigate the formation of nano sized quasicrystalline phases in Al 86 Cr 14 , Al 84 Fe 16 and Al 62.5 Cu 25 Fe 12.5 compounds. The second part of the present work is an attempt to examine the possibility of formation of the i-phase of the Al 62.5 Cu 25 Fe 12.5 , which lies in the region of the perfect i-phase in the ternary phase diagram, by rapid solidification method. To perform the obtained quasi phase mechanical alloying and heat treatment at the rapid solidified sample were done. - Abstract: In the present work, the formation of nano quasicrystalline icosahedral phase in Al 86 Cr 14 , Al 84 Fe 16 and Al 62.5 Cu 25 Fe 12.5 alloys has been investigated by mechanical alloying. Mixtures of quasicrystalline and related crystalline phases have been observed under various milling conditions. The X-ray diffraction, differential thermal analysis and electrical resistivity techniques have been used for characterization and physical property measurements. The particle size was calculated by X-ray profile using Williamson-Hall plot method and it was found to be 25-50 nm size.

Low-pressure phase diagram of crystalline benzene from quantum Monte Carlo

Energy Technology Data Exchange (ETDEWEB)

Azadi, Sam, E-mail: s.azadi@ucl.ac.uk [Departments of Physics and Astronomy, University College London, Thomas Young Center, London Centre for Nanotechnology, London WC1E 6BT (United Kingdom); Cohen, R. E. [Extreme Materials Initiative, Geophysical Laboratory, Carnegie Institution for Science, Washington, DC 20015 (United States); Department of Earth- and Environmental Sciences, Ludwig Maximilians Universität, Munich 80333 (Germany); Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

2016-08-14

We studied the low-pressure (0–10 GPa) phase diagram of crystalline benzene using quantum Monte Carlo and density functional theory (DFT) methods. We performed diffusion quantum Monte Carlo (DMC) calculations to obtain accurate static phase diagrams as benchmarks for modern van der Waals density functionals. Using density functional perturbation theory, we computed the phonon contributions to the free energies. Our DFT enthalpy-pressure phase diagrams indicate that the Pbca and P2{sub 1}/c structures are the most stable phases within the studied pressure range. The DMC Gibbs free-energy calculations predict that the room temperature Pbca to P2{sub 1}/c phase transition occurs at 2.1(1) GPa. This prediction is consistent with available experimental results at room temperature. Our DMC calculations give 50.6 ± 0.5 kJ/mol for crystalline benzene lattice energy.

Investigations on the liquid crystalline phases of cation-induced ...

Indian Academy of Sciences (India)

liquid crystalline phases of Li–DNA system could be useful in the production of ... undergo unidirectional ordering (the solution starts to become birefringent under ... was spread over the glass slides with a cover slip and sealed with a neutral ...

Antibacterial photocatalytic activity of different crystalline TiO2 phases in oral multispecies biofilm.

Science.gov (United States)

Pantaroto, Heloisa N; Ricomini-Filho, Antonio P; Bertolini, Martinna M; Dias da Silva, José Humberto; Azevedo Neto, Nilton F; Sukotjo, Cortino; Rangel, Elidiane C; Barão, Valentim A R

2018-07-01

Titanium dioxide (TiO 2 ) incorporation in biomaterials is a promising technology due to its photocatalytic and antibacterial activities. However, the antibacterial potential of different TiO 2 crystalline structures on a multispecies oral biofilm remains unknown. We hypothesized that the different crystalline TiO 2 phases present different photocatalytic and antibacterial activities. Three crystalline TiO 2 films were deposited by magnetron sputtering on commercially pure titanium (cpTi), in order to obtain four groups: (1) machined cpTi (control); (2) A-TiO 2 (anatase); (3) M-TiO 2 (mixture of anatase and rutile); (4) R-TiO 2 (rutile). The morphology, crystalline phase, chemical composition, hardness, elastic modulus and surface free energy of the surfaces were evaluated. The photocatalytic potential was assessed by methylene blue degradation assay. The antibacterial activity was evaluated on relevant oral bacteria, by using a multispecies biofilm (Streptococcus sanguinis, Actinomyces naeslundii and Fusobacterium nucleatum) formed on the treated titanium surfaces (16.5h) followed by UV-A light exposure (1h) to generate reactive oxygen species production. All TiO 2 films presented around 300nm thickness and improved the hardness and elastic modulus of cpTi surfaces (p0.05 vs. control). This study brings new insights on the development of extra oral protocols for the photocatalytic activity of TiO 2 in oral biofilm-associated disease. Anatase and mixture-TiO 2 showed antibacterial activity on this oral bacterial biofilm, being promising surface coatings for dental implant components. Copyright © 2018 The Academy of Dental Materials. All rights reserved.

Formation of nano quasicrystalline and crystalline phases by mechanical alloying

Energy Technology Data Exchange (ETDEWEB)

Shamah, A.M.; Ibrahim, S. [Faculty of Petroleum and Mining Engineering, Suez Canal University, Suez (Egypt); Hanna, F.F., E-mail: fariedhanna@yahoo.com [Faculty of Petroleum and Mining Engineering, Suez Canal University, Suez (Egypt)

2011-02-03

Research highlights: > Mechanical alloying (MA) is an important method to investigate the formation of nano sized quasicrystalline phases in Al{sub 86}Cr{sub 14}, Al{sub 84}Fe{sub 16} and Al{sub 62.5}Cu{sub 25}Fe{sub 12.5} compounds. The second part of the present work is an attempt to examine the possibility of formation of the i-phase of the Al{sub 62.5}Cu{sub 25}Fe{sub 12.5}, which lies in the region of the perfect i-phase in the ternary phase diagram, by rapid solidification method. To perform the obtained quasi phase mechanical alloying and heat treatment at the rapid solidified sample were done. - Abstract: In the present work, the formation of nano quasicrystalline icosahedral phase in Al{sub 86}Cr{sub 14}, Al{sub 84}Fe{sub 16} and Al{sub 62.5}Cu{sub 25}Fe{sub 12.5} alloys has been investigated by mechanical alloying. Mixtures of quasicrystalline and related crystalline phases have been observed under various milling conditions. The X-ray diffraction, differential thermal analysis and electrical resistivity techniques have been used for characterization and physical property measurements. The particle size was calculated by X-ray profile using Williamson-Hall plot method and it was found to be 25-50 nm size.

Liquid crystalline dihydroazulene photoswitches

DEFF Research Database (Denmark)

Petersen, Anne Ugleholdt; Jevric, Martyn; Mandle, Richard J.

2015-01-01

A large selection of photochromic dihydroazulene (DHA) molecules incorporating various substituents at position 2 of the DHA core was prepared and investigated for their ability to form liquid crystalline phases. Incorporation of an octyloxy-substituted biphenyl substituent resulted in nematic...... phase behavior and it was possible to convert one such compound partly into its vinylheptafulvene (VHF) isomer upon irradiation with light when in the liquid crystalline phase. This conversion resulted in an increase in the molecular alignment of the phase. In time, the meta-stable VHF returns...... to the DHA where the alignment is maintained. The systematic structural variation has revealed that a biaryl spacer between the DHA and the alkyl chain is needed for liquid crystallinity and that the one aromatic ring in the spacer cannot be substituted by a triazole. This work presents an important step...

Phase behaviour of macromolecular liquid crystalline materials. Computational studies at the molecular level

International Nuclear Information System (INIS)

Stimson, Lorna M.

2003-01-01

Molecular simulations provide an increasingly useful insight into the static and dynamic characteristics of materials. In this thesis molecular simulations of macro-molecular liquid crystalline materials are reported. The first liquid crystalline material that has been investigated is a side chain liquid crystal polymer (SCLCP). In this study semi-atomistic molecular dynamics simulations have been conducted at a range of temperatures and an aligning potential has been applied to mimic the effect of a magnetic field. In cooling the SCLCP from an isotropic melt, microphase separation was observed yielding a domain structure. The application of a magnetic field to this structure aligns the domains producing a stable smectic mesophase. This is the first study in which mesophases have been observed using an off-lattice model of a SCLCP. The second material that has been investigated is a dendrimer with terminal mesogenic functionalization. Here, a multi-scale approach has been taken with Monte Carlo studies of a single dendrimer molecule in the gas phase at the atomistic level, semi-atomistic molecular dynamics of a single molecule in liquid crystalline solvents and a coarse-grained molecular dynamics study of the dendrimer in the bulk. The coarse-grained model has been developed and parameterized using the results of the atomistic and semi-atomistic work. The single molecule studies showed that the liquid crystalline dendrimer was able to change its structure by conformational changes in the flexible chains that link the mesogenic groups to the core. Structural change was seen under the application of a mean field ordering potential in the gas phase, and in the presence of liquid crystalline solvents. No liquid crystalline phases were observed for the bulk phase studies of the coarse-grained model. However, when the length of the mesogenic units was increased there was some evidence for microphase separation in these systems. (author)

New theory for competing interactions and microstructures in partially-ordered (liquid-crystalline) phases

International Nuclear Information System (INIS)

Dowell, F.

1987-01-01

A summary of results from a unique statistical-physics theory to predict and explain competing interactions and resulting microstructures in some partially-ordered [in this case, liquid-crystalline (LC)] phases is presented. The static aspects of both partial orientational and partial positional ordering of the molecules into various microstructures in these phases (including the incommensurate smectic-Ad phase) can be understood in terms of various competing interactions (both entropic and energetic) involved in the packing together of the different molecular sub-units at given pressures and temperatures. These microstructures are predicted and explained (using no ad hoc or arbitrarily adjustable parameter) as a function of molecule chemical structure [including lengths and shapes (from bond lengths and angles), intramolecular rotations, site-site polarizabilities and pair potentials, dipole moments, etc]. Theoretical results are presented for the nematic, re-entrant nematic, smectic-Ad, and smectic-Al LC phases and the isotropic phase

Synergy in lipofection by cationic lipid mixtures: superior activity at the gel-liquid crystalline phase transition.

Science.gov (United States)

Koynova, Rumiana; Wang, Li; MacDonald, Robert C

2007-07-12

Some mixtures of two cationic lipids including phospholipid compounds (O-ethylphosphatidylcholines) as well as common, commercially available cationic lipids, such as dimethylammonium bromides and trimethylammonium propanes, deliver therapeutic DNA considerably more efficiently than do the separate molecules. In an effort to rationalize this widespread "mixture synergism", we examined the phase behavior of the cationic lipid mixtures and constructed their binary phase diagrams. Among a group of more than 50 formulations, the compositions with maximum delivery activity resided unambiguously in the solid-liquid crystalline two-phase region at physiological temperature. Thus, the transfection efficacy of formulations exhibiting solid-liquid crystalline phase coexistence is more than 5 times higher than that of formulations in the gel (solid) phase and over twice that of liquid crystalline formulations; phase coexistence occurring at physiological temperature thus appears to contribute significantly to mixture synergism. This relationship between delivery activity and physical property can be rationalized on the basis of the known consequences of lipid-phase transitions, namely, the accumulation of defects and increased disorder at solid-liquid crystalline phase boundaries. Packing defects at the borders of coexisting solid and liquid crystalline domains, as well as large local density fluctuations, could be responsible for the enhanced fusogenicity of mixtures. This study leads to the important conclusion that manipulating the composition of the lipid carriers so that their phase transition takes place at physiological temperature can enhance their delivery efficacy.

Second amorphous-to-crystalline phase transformation in Cu60Ti20Zr20 bulk metallic glass

DEFF Research Database (Denmark)

Cao, Q.P.; Li, J.F.; Zhang, P.N.

2007-01-01

The second amorphous-to-crystalline phase transformation in Cu60Ti20Zr20 bulk metallic glass was investigated by differential scanning calorimetry and x-ray diffractometry. The difference of the Gibbs free energies between the amorphous phase and the crystalline products during the transformation...

Casimir Force Contrast Between Amorphous and Crystalline Phases of AIST

NARCIS (Netherlands)

Torricelli, Gauthier; van Zwol, Peter J.; Shpak, Olex; Palasantzas, George; Svetovoy, Vitaly B.; Binns, Chris; Kooi, Bart J.; Jost, Peter; Wuttig, Matthias

2012-01-01

Phase change materials (PCMs) can be rapidly and reversibly switched between the amorphous and crystalline state. The structural transformation is accompanied by a significant change of optical and electronic properties rendering PCMs suitable for rewritable optical data storage and non-volatile

Casimir Force Contrast Between Amorphous and Crystalline Phases of AIST

NARCIS (Netherlands)

Torrichelli, G.; van Zwol, P.J.; Shpak, O.; Palasantzas, G.; Svetovoy, Vitaly; Binns, C.; Kooi, B.J.; Jost, P.; Wittig, M.

2012-01-01

Phase change materials (PCMs) can be rapidly and reversibly switched between the amorphous and crystalline state. The structural transformation is accompanied by a signifi cant change of optical and electronic properties rendering PCMs suitable for rewritable optical data storage and nonvolatile

Drug Release and Skin Permeation from Lipid Liquid Crystalline Phases

Science.gov (United States)

Costa-Balogh, F. O.; Sparr, E.; Sousa, J. J. S.; Pais, A. A. C. C.

We have studied drug release and skin permeation from several different liquid crystalline lipid formulations that may be used to control the respective release rates. We have studied the release and permeation through human skin of a water-soluble and amphiphilic drug, propranolol hydrochloride, from several formulations prepared with monoolein and phytantriol as permeation enhancers and controlled release excipients. Diolein and cineol were added to selected formulations. We observed that viscosity decreases with drug load, wich is compatible with the occurrence of phase changes. Diolein stabilizes the bicontinuous cubic phases leading to an increase in viscosity and sustained release of the drug. The slowest release was found for the cubic phases with higher viscosity. Studies on skin permeation showed that these latter formulations also presented lower permeability than the less viscous monoolein lamellar phases. Formulations containing cineol originated higher permeability with higher enhancement ratios. Thus, the various formulations are adapted to different circumstances and delivery routes. While a slow release is usually desired for drug sustained delivery, the transdermal route may require a faster release. Lamellar phases, which are less viscous, are more adapted to transdermal applications. Thus, systems involving lamellar phases of monoolein and cineol are good candidates to be used as skin permeation enhancers for propranolol hydrochloride.

High-quality single crystalline NiO with twin phases grown on sapphire substrate by metalorganic vapor phase epitaxy

Directory of Open Access Journals (Sweden)

Kazuo Uchida

2012-12-01

Full Text Available High-quality single crystalline twin phase NiO grown on sapphire substrates by metalorganic vapor phase epitaxy is reported. X-ray rocking curve analysis of NiO films grown at different temperatures indicates a minimum full width at half maximum of the cubic (111 diffraction peak of 0.107° for NiO film grown at as low as 550 °C. Detailed microstructural analysis by Φ scan X-ray diffraction and transmission electron microscopy reveal that the NiO film consists of large single crystalline domains with two different crystallographic orientations which are rotated relative to each other along the [111] axis by 60°. These single crystal domains are divided by the twin phase boundaries.

Mass transfer processes in crystalline aggregates containing a fluid phase

NARCIS (Netherlands)

Visser, H.J.M.

1999-01-01

Understanding mass transfer processes in porous crystalline aggregates containing a fluid phase is of major importance for modelling partially molten regions of the Earth's mantle, such as those under mid-ocean spreading ridges. Despite the fact that mid-ocean ridges can be considered the

Mass transfer processes in crystalline aggregates containing a fluid phase

NARCIS (Netherlands)

Visser, H.J.M.

1999-01-01

Understanding mass transfer processes in porous crystalline aggregates containing a fluid phase is of major importance for modelling partially molten regions of the Earth's mantle, such as those under mid-ocean spreading ridges. Despite the fact that mid-ocean ridges can be considered the simplest

Dissolution of crystalline ceramics

International Nuclear Information System (INIS)

White, W.B.

1982-01-01

The present program objectives are to lay out the fundamentals of crystalline waste form dissolution. Nuclear waste ceramics are polycrystalline. An assumption of the work is that to the first order, the release rate of a particular radionuclide is the surface-weighted sum of the release rates of the radionuclide from each crystalline form that contains it. In the second order, of course, there will be synergistic effects. There will be also grain boundary and other microstructural influences. As a first approximation, we have selected crystalline phases one at a time. The sequence of investigations and measurements is: (i) Identification of the actual chemical reactions of dissolution including identification of the solid reaction products if such occur. (ii) The rates of these reactions are then determined empirically to give what may be called macroscopic kinetics. (iii) Determination of the rate-controlling mechanisms. (iv) If the rate is controlled by surface reactions, the final step would be to determine the atomic kinetics, that is the specific atomic reactions that occur at the dissolving interface. Our concern with the crystalline forms are in two areas: The crystalline components of the reference ceramic waste form and related ceramics and the alumino-silicate phases that appear in some experimental waste forms and as waste-rock interaction products. Specific compounds are: (1) Reference Ceramic Phases (zirconolite, magnetoplumbite, spinel, Tc-bearing spinel and perovskite); (2) Aluminosilicate phases (nepheline, pollucite, CsAlSi 5 O 12 , Sr-feldspar). 5 figures, 1 table

Inducing β Phase Crystallinity in Block Copolymers of Vinylidene Fluoride with Methyl Methacrylate or Styrene

Directory of Open Access Journals (Sweden)

Nahal Golzari

2017-07-01

Full Text Available Block copolymers of poly(vinylidene fluoride (PVDF with either styrene or methyl methacrylate (MMA were synthesized and analyzed with respect to the type of the crystalline phase occurring. PVDF with iodine end groups (PVDF-I was prepared by iodine transfer polymerization either in solution with supercritical CO2 or in emulsion. To activate all iodine end groups Mn2(CO10 is employed. Upon UV irradiation Mn(CO5 radicals are obtained, which abstract iodine from PVDF-I generating PVDF radicals. Subsequent polymerization with styrene or methyl methacrylate (MMA yields block copolymers. Size exclusion chromatography and NMR results prove that the entire PVDF-I is converted. XRD, FT-IR, and differential scanning calorimetry (DSC analyses allow for the identification of crystal phase transformation. It is clearly shown that the original α crystalline phase of PVDF-I is changed to the β crystalline phase in case of the block copolymers. For ratios of the VDF block length to the MMA block length ranging from 1.4 to 5 only β phase material was detected.

An investigation of phase transformation and crystallinity in laser surface modified H13 steel

Science.gov (United States)

Aqida, S. N.; Brabazon, D.; Naher, S.

2013-03-01

This paper presents a laser surface modification process of AISI H13 tool steel using 0.09, 0.2 and 0.4 mm size of laser spot with an aim to increase hardness properties. A Rofin DC-015 diffusion-cooled CO2 slab laser was used to process AISI H13 tool steel samples. Samples of 10 mm diameter were sectioned to 100 mm length in order to process a predefined circumferential area. The parameters selected for examination were laser peak power, overlap percentage and pulse repetition frequency (PRF). X-ray diffraction analysis (XRD) was conducted to measure crystallinity of the laser-modified surface. X-ray diffraction patterns of the samples were recorded using a Bruker D8 XRD system with Cu K α ( λ=1.5405 Å) radiation. The diffraction patterns were recorded in the 2 θ range of 20 to 80°. The hardness properties were tested at 981 mN force. The laser-modified surface exhibited reduced crystallinity compared to the un-processed samples. The presence of martensitic phase was detected in the samples processed using 0.4 mm spot size. Though there was reduced crystallinity, a high hardness was measured in the laser-modified surface. Hardness was increased more than 2.5 times compared to the as-received samples. These findings reveal the phase source of the hardening mechanism and grain composition in the laser-modified surface.

Oxidation studies of β-sialon ceramics containing amorphous and / or crystalline intergranular phases

International Nuclear Information System (INIS)

Persson, J.; Kall, P.O.; Jansson, K.; Nygren, M.

1992-01-01

β-sialon ceramics of equal overall compositions but containing amorphous, partly crystalline and almost completely crystalline intergranular phase(s) have been oxidized in oxygen at 1350 deg C for 20 hours. The obtained weight gain curves do not follow the parabolic rate law (ΔW/A 0 ) 2 = k p t + β. To the extent that crystallization occurs in the oxide scale during the oxidation experiment, the amorphous cross section area through which oxygen most easily diffuses will decrease with time. A brief description of this new rate law is given, and the obtained oxidation curves will be discussed within that framework. 4 refs., 2 tabs., 2 figs

Electrostatic Effects in Phase Transitions of Biomembranes between Cubic Phases and Lamellar Liquid-Crystalline (Lα) phase

Science.gov (United States)

Masum, Shah Md.; Li, Shu Jie; Tamba, Yukihiro; Yamashita, Yuko; Yamazaki, Masahito

2004-04-01

Elucidation of the mechanisms of transitions between cubic phase and liquid-crystalline (Lα) phase, and between different IPMS cubic phases, are essential for understanding of dynamics of biomembranes and topological transformation of lipid membranes. Recently, we found that electrostatic interactions due to surface charges of lipid membranes induce transition between cubic phase and Lα phase, and between different IPMS cubic phases. As electrostatic interactions increase, the most stable phase of a monoolein (MO) membrane changes: Q224 ⇒ Q229 ⇒ Lα. We also found that a de novo designed peptide partitioning into electrically neutral lipid membrane changed the phase stability of the MO membranes. As peptide-1 concentration increased, the most stable phase of a MO membrane changes: Q224 ⇒ Q229 ⇒Lα. In both cases, the increase in the electrostatic repulsive interaction greatly reduced the absolute value of spontaneous curvature of the MO monolayer membrane. We also investigated factors such as poly (L-lysine) and osmotic stress to control structure and phase stability of DOPA/MO membranes. Based on these results, we discuss the mechanism of the effect of electrostatic interactions on the stability of cubic phase.

Quantitative analysis of crystalline and remaining glass phases in CaO-B2O3-SiO2 ternary system glass ceramics

International Nuclear Information System (INIS)

He Ming; Wu Mengqiang; Zhang Shuren; Zhou Xiaohua; Zhang Ting; Chen Song

2010-01-01

Research highlights: → As for CBS ternary system glass ceramics, due to the complex phase compositions, many methods could be difficult to determine quantitatively the absolute amounts of crystalline and remaining oxides. In this study, an available method based on the Rietveld method was used to quantitatively analyze the relative weight fraction and densities of crystalline phases. These above data are used to obtain a table of both relative weight fraction of crystalline phases and densities of all phases including CBS LTCC. Using volume additivity rule, it is possible to analysis quantitatively the absolute weight fraction of crystalline phases and also the oxides molar content in the remaining glass. - Abstract: Based on Rietveld method of X-ray techniques and volume additivity rule, a new method was developed to quantitatively analyze the phase composition of CaO-B 2 O 3 -SiO 2 ternary system glass ceramics. Lattice parameters, densities and relative weight fractions of crystalline phases in CaO-B 2 O 3 -SiO 2 ternary system were obtained by X-ray diffraction (XRD) refinement. According to the relative weight fraction of crystalline phases and densities of various components, the volume additivity rule was revealed by calculating the absolute weight fraction of crystalline phases of CaO-B 2 O 3 -SiO 2 glass ceramics. In addition, molar contents of the oxides in the remaining glass can also be determined by this method. Comparing this method with internal standard method, it is found that the maximum deviations of the crystallinity and the absolute weight fraction of crystalline phases are less than 2.6% and 2.9%, respectively. As a result, quantitative evaluation of CaO-B 2 O 3 -SiO 2 ternary system glass ceramics can be achieved using this method.

A crystalline quark-hadron mixed phase in neutron stars

International Nuclear Information System (INIS)

Glendenning, N.K.

1994-01-01

The mixed phase of a substance undergoing a first order phase transition has entirely different behavior according as the substance has more than one conserved charge or only one, as in the text book examples. In the latter case the pressure and nature of the phases are constants throughout the coexistence phase. For systems with more than one conserved charge (or independent component) we prove two theorems: (1) The pressure and the nature of the phases in equilibrium change continuously as the proportion of the phases varies from one pure phase to the other. (2) If one of the conserved charges is the Coulomb force, an intermediate-range order will be created by the competition between Coulomb and surface interface energy. Their sum is minimized when the coexistence phase assumes a Coulomb lattice of one phase immersed in the other. The geometry will vary continuously as the proportion of phases. We illustrate the theorems for a simple description of the hadron to quark phase transition in neutron stars and find a crystalline phase many kilometers thick. However the theorems are general and pertain to chemical mixtures, nuclear systems, either static as in stars or dynamic as in collisions, and have possible application to phase transitions in the early universe

The strength of crystalline color superconductors

International Nuclear Information System (INIS)

Mannarelli, Massimo; Rajagopal, Krishna; Sharma, Rishi

2007-01-01

We present a study of the shear modulus of the crystalline color superconducting phase of quark matter, showing that this phase of dense, but not asymptotically dense, quark matter responds to shear stress as a very rigid solid. This phase is characterized by a gap parameter Δ that is periodically modulated in space and therefore spontaneously breaks translational invariance. We derive the effective action for the phonon fields that describe space- and time-dependent fluctuations of the crystal structure formed by Δ, and obtain the shear modulus from the coefficients of the spatial derivative terms. Within a Ginzburg-Landau approximation, we find shear moduli which are 20 to 1000 times larger than those of neutron star crusts. This phase of matter is thus more rigid than any known material in the universe, but at the same time the crystalline color superconducting phase is also superfluid. These properties raise the possibility that the presence of this phase within neutron stars may have distinct implications for their phenomenology. For example (some) pulsar glitches may originate in crystalline superconducting neutron star cores

Goldstone bosons in a crystalline chiral phase

International Nuclear Information System (INIS)

Schramm, Marco

2017-01-01

The phase diagram of strong interaction matter is expected to exhibit a rich structure. Different models have shown, that crystalline phases with a spatially varying chiral condensate can occur in the regime of low temperatures and moderate densities, where they replace the first-order phase transition found for spatially constant order parameters. We investigate this inhomogeneous phase, where in addition to the chiral symmetry, translational and rotational symmetry are broken as well, in a two flavor Nambu--Jona-Lasinio model. The main goal of this work is to describe the Goldstone bosons in this phase, massless excitations that occur for spontaneously broken symmetries. We take one of the simplest possible modulations, the chiral density wave, and show how to derive the quark propagator of the theory analytically, by means of transformations in chiral and momentum space. We apply this to a test case for the gap equation. We show the derivation of Nambu-Goldstone modes in the inhomogeneous phase and find, that for our case only three different modes have to be taken into account. We proceed to calculate the Goldstone boson related to the breaking of spatial symmetry, which can be related to the neutral pion. By evaluating a Bethe-Salpeter equation, we can show, that we have indeed found a Goldstone boson and give its dispersion relation in terms of momenta perpendicular, as well as parallel to the mass modulation.

Goldstone bosons in a crystalline chiral phase

Energy Technology Data Exchange (ETDEWEB)

Schramm, Marco

2017-07-24

The phase diagram of strong interaction matter is expected to exhibit a rich structure. Different models have shown, that crystalline phases with a spatially varying chiral condensate can occur in the regime of low temperatures and moderate densities, where they replace the first-order phase transition found for spatially constant order parameters. We investigate this inhomogeneous phase, where in addition to the chiral symmetry, translational and rotational symmetry are broken as well, in a two flavor Nambu--Jona-Lasinio model. The main goal of this work is to describe the Goldstone bosons in this phase, massless excitations that occur for spontaneously broken symmetries. We take one of the simplest possible modulations, the chiral density wave, and show how to derive the quark propagator of the theory analytically, by means of transformations in chiral and momentum space. We apply this to a test case for the gap equation. We show the derivation of Nambu-Goldstone modes in the inhomogeneous phase and find, that for our case only three different modes have to be taken into account. We proceed to calculate the Goldstone boson related to the breaking of spatial symmetry, which can be related to the neutral pion. By evaluating a Bethe-Salpeter equation, we can show, that we have indeed found a Goldstone boson and give its dispersion relation in terms of momenta perpendicular, as well as parallel to the mass modulation.

Amorphous and crystalline phase interaction during the Brill transition in nylon 66

Directory of Open Access Journals (Sweden)

2009-07-01

Full Text Available A prominent α' process in specifically treated nylon 66 and microcomposite samples is identified by dynamic mechanical analysis and proposed to be an amorphous phase counterpart of the Brill transition identified by synchrotron wide-angle X-ray diffraction (WAXD. It is suggested that this α' process, which marks a critical free volume change and an onset of segmental chain movement in the amorphous phase, precedes and prompts the Brill transition in the crystalline phase.

Crystalline phases by an improved gradient expansion technique

Science.gov (United States)

Carignano, S.; Mannarelli, M.; Anzuini, F.; Benhar, O.

2018-02-01

We develop an innovative technique for studying inhomogeneous phases with a spontaneous broken symmetry. The method relies on the knowledge of the exact form of the free energy in the homogeneous phase and on a specific gradient expansion of the order parameter. We apply this method to quark matter at vanishing temperature and large chemical potential, which is expected to be relevant for astrophysical considerations. The method is remarkably reliable and fast as compared to performing the full numerical diagonalization of the quark Hamiltonian in momentum space and is designed to improve the standard Ginzburg-Landau expansion close to the phase transition points. For definiteness, we focus on inhomogeneous chiral symmetry breaking, accurately reproducing known results for one-dimensional and two-dimensional modulations and examining novel crystalline structures, as well. Consistently with previous results, we find that the energetically favored modulation is the so-called one-dimensional real-kink crystal. We propose a qualitative description of the pairing mechanism to motivate this result.

Opto-electronic properties of bismuth oxide films presenting different crystallographic phases

Energy Technology Data Exchange (ETDEWEB)

Gomez, Celia L. [Instituto de Investigaciones en Materiales, UNAM, Circuito Exterior s/n CU, México D.F. 04510 (Mexico); Posgrado en Ciencia e Ingeniería de Materiales, UNAM, Unidad de Posgrado, Edificio C, Piso 1, Zona Cultural de CU, México, D.F. 04510 (Mexico); Depablos-Rivera, Osmary, E-mail: osmarydep@yahoo.com [Instituto de Investigaciones en Materiales, UNAM, Circuito Exterior s/n CU, México D.F. 04510 (Mexico); Posgrado en Ciencia e Ingeniería de Materiales, UNAM, Unidad de Posgrado, Edificio C, Piso 1, Zona Cultural de CU, México, D.F. 04510 (Mexico); Silva-Bermudez, Phaedra [Instituto de Investigaciones en Materiales, UNAM, Circuito Exterior s/n CU, México D.F. 04510 (Mexico); Instituto Nacional de Rehabilitación, Calz. México Xochimilco No. 289 Col. Arenal de Guadalupe, C.P.14389, Ciudad de México, D.F. (Mexico); Muhl, Stephen [Instituto de Investigaciones en Materiales, UNAM, Circuito Exterior s/n CU, México D.F. 04510 (Mexico); Zeinert, Andreas; Lejeune, Michael; Charvet, Stephane; Barroy, Pierre [Laboratoire de Physique de la Matière Condensée, Université de Picardie Jules Verne, 33 rue Saint Leu, 80039 Amiens Cedex 1 (France); Camps, Enrique [Instituto Nacional de Investigaciones Nucleares, Carretera México-Toluca S/N, kilómetro 36.5. La Marquesa, Municipio de Ocoyoacac, CP 52750, Estado de México (Mexico); Rodil, Sandra E. [Instituto de Investigaciones en Materiales, UNAM, Circuito Exterior s/n CU, México D.F. 04510 (Mexico)

2015-03-02

The optical, electrical and structural properties of bismuth oxide thin films deposited by radio frequency reactive magnetron sputtering were studied. The Bi{sub 2}O{sub 3} thin films were grown on Si and glass substrates under different power and substrate temperatures in an oxygen-enriched plasma leading to films with different crystalline phase as evidenced by X-ray diffraction and Raman spectroscopy. The optical properties of the films were measured using ellipsometric spectroscopy and optical transmission spectra. In order to parameterize the optical dispersion functions (n, k) of the films, the Tauc–Lorentz dispersion model was used. The optical bandgap was then assessed by different methods and the results are compared to the thermal variations of the electrical resistivity of the films. It was found that the refractive index, extinction coefficient and optical gap strongly depend on the deposition conditions and the crystalline phase; the fluorite defect cubic δ-Bi{sub 2}O{sub 3} phase showed the lowest optical gap and lower resistivity. - Highlights: • Different bismuth oxide phases were obtained by sputtering. • The power and substrate temperature were the two key parameters. • Room temperature delta-Bi{sub 2}O{sub 3} thin films were obtained. • The optical bandgap was around 1.5 and 2.2 eV, depending on the phase. • The bismuth oxide films presented activation energies around 1 eV.

Opto-electronic properties of bismuth oxide films presenting different crystallographic phases

International Nuclear Information System (INIS)

Gomez, Celia L.; Depablos-Rivera, Osmary; Silva-Bermudez, Phaedra; Muhl, Stephen; Zeinert, Andreas; Lejeune, Michael; Charvet, Stephane; Barroy, Pierre; Camps, Enrique; Rodil, Sandra E.

2015-01-01

The optical, electrical and structural properties of bismuth oxide thin films deposited by radio frequency reactive magnetron sputtering were studied. The Bi 2 O 3 thin films were grown on Si and glass substrates under different power and substrate temperatures in an oxygen-enriched plasma leading to films with different crystalline phase as evidenced by X-ray diffraction and Raman spectroscopy. The optical properties of the films were measured using ellipsometric spectroscopy and optical transmission spectra. In order to parameterize the optical dispersion functions (n, k) of the films, the Tauc–Lorentz dispersion model was used. The optical bandgap was then assessed by different methods and the results are compared to the thermal variations of the electrical resistivity of the films. It was found that the refractive index, extinction coefficient and optical gap strongly depend on the deposition conditions and the crystalline phase; the fluorite defect cubic δ-Bi 2 O 3 phase showed the lowest optical gap and lower resistivity. - Highlights: • Different bismuth oxide phases were obtained by sputtering. • The power and substrate temperature were the two key parameters. • Room temperature delta-Bi 2 O 3 thin films were obtained. • The optical bandgap was around 1.5 and 2.2 eV, depending on the phase. • The bismuth oxide films presented activation energies around 1 eV

Crystalline-to-amorphous phase transition in irradiated silicon

International Nuclear Information System (INIS)

Seidman, D.N.; Averback, R.S.; Okamoto, P.R.; Baily, A.C.

1986-01-01

The amorphous(a)-to-crystalline (c) phase transition has been studied in electron(e - ) and/or ion irradiated silicon (Si). The irradiations were performed in situ in the Argonne High Voltage Microscope-Tandem Facility. The irradiation of Si, at 0 K, with 1-MeV e - to a fluence of 14 dpa failed to induce the c-to-a transition. Whereas an irradiation, at 0 K, with 1.0 or 1.5-MeV Kr+ ions induced the c-to-a transition by a fluence of approx.0.37 dpa. Alternatively a dual irradiation, at 10 0 K, with 1.0-MeV e - and 1.0 or 1.5-MeV Kr+ to a Kr+ fluence of 1.5 dpa - where the ratio of the displacement rates for e - to ions was approx.0.5 - resulted in the Si specimen retaining a degree of crystallinity. These results are discussed in terms of the degree of dispersion of point defects in the primary state of damage and the mobilities of point defects

Liquid crystalline composites toward organic photovoltaic application (Conference Presentation)

Science.gov (United States)

Shimizu, Yo; Sosa-Vargas, Lydia; Shin, Woong; Higuchi, Yumi; Itani, Hiromichi; Kawano, Koki; Dao, Quang Duy; Fujii, Akihiko; Ozaki, Masanori

2017-02-01

Liquid crystalline semiconductor is an interesting category of organic electronic materials and also has been extensively studied in terms of "Printed Electronics". For the wider diversity in research toward new applications, one can consider how to use a combination of miscibility and phase separation in liquid crystals. Here we report discotic liquid crystals in making a composite of which structural order is controlled in nano-scale toward photovoltaic applications. Discotic columnar LCs were studied on their resultant molecular order and carrier transport properties. Liquid crystals of phthalocyanine and its analogues which exhibit columnar mesomorphism with high carrier mobility (10-1 cm2/Vs) were examined with making binary phase diagrams and the correlation to carrier transport properties by TOF measurements was discussed. The shape-analogues in chemical structure shows a good miscibility even for the different lattice-type of columnar arrangement and the carrier mobility is mostly decrease except for a case of combination with a metal-free and the metal complex. For the mixtures with non-mesogenic C60 derivatives, one sees a phase-separated structure due to its immiscibility, though the columnar order is remained in a range of component ratio.Especially, in a range of the ratio, it was observed the phase separated C60 derivatives are fused into the matrix of columnar bundles, indicating C60 derivatives could be diffused in columnar arrays in molecular level.

Appearance of large crystalline domains in VO{sub 2} films grown on sapphire (001) and their phase transition characteristics

Energy Technology Data Exchange (ETDEWEB)

Azhan, Nurul Hanis; Su, Kui; Okimura, Kunio, E-mail: okifn@keyaki.cc.u-tokai.ac.jp [Graduate School of Science and Technology, Tokai University, Hiratsuka 259-1292 (Japan); Zaghrioui, Mustapha; Sakai, Joe [GREMAN, UMR 7347 CNRS, Université François Rabelais de Tours, Parc de Grandmont 37200 Tours (France)

2015-06-28

We report the first observation of large crystalline domains of several μm-size in VO{sub 2} films deposited on Al{sub 2}O{sub 3} (001) substrates by rf-biased reactive sputtering technique. The large crystalline domains, dominated with random in-plane oriented growth of (011){sub M1}-orientation, appear only under adequate substrate biasing, such as 10 W, while most biasing conditions result in conventional nanosized grains of highly oriented (010){sub M1}-orientation. Two temperature-controlled analyses, x-ray diffraction and micro-Raman spectroscopy, have revealed that some parts of large crystalline domains undergo intermediate monoclinic (M2) phase during the thermally-induced structural phase transition from monoclinic (M1) to rutile-tetragonal (R) phase. As an effect of the appearance of large crystalline domains, the film showed in-plane tensile stress, resulting in high T{sub IMT} of 69 °C due to the elongation of the V-V distance in its low-temperature monoclinic phase.

Systematic comparison of crystalline and amorphous phases: Charting the landscape of water structures and transformations

International Nuclear Information System (INIS)

Pietrucci, Fabio; Martoňák, Roman

2015-01-01

Systematically resolving different crystalline phases starting from the atomic positions, a mandatory step in algorithms for the prediction of structures or for the simulation of phase transitions, can be a non-trivial task. Extending to amorphous phases and liquids which lack the discrete symmetries, the problem becomes even more difficult, involving subtle topological differences at medium range that, however, are crucial to the physico-chemical and spectroscopic properties of the corresponding materials. Typically, system-tailored order parameters are devised, like global or local symmetry indicators, ring populations, etc. We show that a recently introduced metric provides a simple and general solution to this intricate problem. In particular, we demonstrate that a map can be traced displaying distances among water phases, including crystalline as well as amorphous states and the liquid, consistently with experimental knowledge in terms of phase diagram, structural features, and preparation routes

Collagen films with stabilized liquid crystalline phases and concerns on osteoblast behaviors

Energy Technology Data Exchange (ETDEWEB)

Tang, Minjian; Ding, Shan; Min, Xiang; Jiao, Yanpeng, E-mail: tjiaoyp@jnu.edu.cn; Li, Lihua; Li, Hong; Zhou, Changren, E-mail: tcrz9@jnu.edu.cn

2016-01-01

To duplicate collagen's in vivo liquid crystalline (LC) phase and investigate the relationship between the morphology of LC collagen and osteoblast behavior, a self-assembly method was introduced for preparing collagen films with a stabilized LC phase. The LC texture and topological structure of the films before and after stabilization were observed with polarizing optical microscopy, scanning electron microscopy (SEM), and atomic force microscopy (AFM). The relationship between the collagen films and osteoblast behavior was studied with the 3-(4,5)-dimethylthiahiazo(-z-y1)-3,5-di-phenytetrazoliumromide method, proliferation index detection, alkaline phosphatase measurements, osteocalcin assay, inverted microscopy, SEM observation, AFM observation, and cytoskeleton fluorescence staining. The results showed that the LC collagen film had continuously twisting orientations in the cholesteric phase with a typical series of arced patterns. The collagen fibers assembled in a well-organized orientation in the LC film. Compared to the non-LC film, the LC collagen film can promote cell proliferation, and increase ALP and osteocalcin expression, revealing a contact guide effect on osteoblasts. - Highlights: • Collagen film with liquid crystalline (LC) phase was observed by POM, SEM and AFM. • The effect of LC collagen film on osteoblasts behaviors was studied in detail. • LC collagen film promoted osteoblast proliferation and osteogenesis activity.

Observing the amorphous-to-crystalline phase transition in Ge{sub 2}Sb{sub 2}Te{sub 5} non-volatile memory materials from ab initio molecular-dynamics simulations

Energy Technology Data Exchange (ETDEWEB)

Lee, T.H.; Elliott, S.R. [Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1EW Cambridge (United Kingdom)

2012-10-15

Phase-change memory is a promising candidate for the next generation of non-volatile memory devices. This technology utilizes reversible phase transitions between amorphous and crystalline phases of a recording material, and has been successfully used in rewritable optical data storage, revealing its feasibility. In spite of the importance of understanding the nucleation and growth processes that play a critical role in the phase transition, this understanding is still incomplete. Here, we present observations of the early stages of crystallization in Ge{sub 2}Sb{sub 2}Te{sub 5} materials through ab initio molecular-dynamics simulations. Planar structures, including fourfold rings and planes, play an important role in the formation and growth of crystalline clusters in the amorphous matrix. At the same time, vacancies facilitate crystallization by providing space at the glass-crystalline interface for atomic diffusion, which results in fast crystal growth, as observed in simulations and experiments. The microscopic mechanism of crystallization presented here may deepen our understanding of the phase transition occurring in real devices, providing an opportunity to optimize the memory performance of phase-change materials. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Crystalline structure in the confined-deconfined mixed phase: Neutron stars as an example

International Nuclear Information System (INIS)

Glendenning, N.K.

1996-01-01

We review the differences in first order phase transition of single and multi-component systems, and then discuss the crystalline structure expected to exist in the mixed confined deconfined phase of hadronic matter. The particular context of neutron stars is chosen for illustration. The qualitative results are general and apply for example to the vapor-liquid transition in subsaturated asymmetric nuclear matter

A possible mechanism of ultrafast amorphization in phase-change memory alloys: an ion slingshot from the crystalline to amorphous position

International Nuclear Information System (INIS)

Kolobov, A V; Mishchenko, A S; Fons, P; Yakubenya, S M; Tominaga, J

2007-01-01

We propose that the driving force of the ultrafast crystalline-to-amorphous transition in phase-change memory alloys is caused by strained bonds existing in the (metastable) crystalline phase. For the prototypical example of Ge 2 Sb 2 Te 5 , we demonstrate that upon breaking of the longer Ge-Te bond by photoexcitation, a Ge ion is shot from an octahedral crystalline to a tetrahedral amorphous position by the uncompensated force of strained short bonds. Subsequent lattice relaxation stabilizes the tetrahedral surroundings of the Ge atoms and ensures the long-term stability of the optically induced phase

Amorphous and crystalline aerosol particles interacting with water vapor: conceptual framework and experimental evidence for restructuring, phase transitions and kinetic limitations

Directory of Open Access Journals (Sweden)

T. Koop

2009-12-01

Full Text Available Interactions with water are crucial for the properties, transformation and climate effects of atmospheric aerosols. Here we present a conceptual framework for the interaction of amorphous aerosol particles with water vapor, outlining characteristic features and differences in comparison to crystalline particles. We used a hygroscopicity tandem differential mobility analyzer (H-TDMA to characterize the hydration and dehydration of crystalline ammonium sulfate, amorphous oxalic acid and amorphous levoglucosan particles (diameter ~100 nm, relative humidity 5–95% at 298 K. The experimental data and accompanying Köhler model calculations provide new insights into particle microstructure, surface adsorption, bulk absorption, phase transitions and hygroscopic growth. The results of these and related investigations lead to the following conclusions:

(1 Many organic substances, including carboxylic acids, carbohydrates and proteins, tend to form amorphous rather than crystalline phases upon drying of aqueous solution droplets. Depending on viscosity and microstructure, the amorphous phases can be classified as glasses, rubbers, gels or viscous liquids.

(2 Amorphous organic substances tend to absorb water vapor and undergo gradual deliquescence and hygroscopic growth at lower relative humidity than their crystalline counterparts.

(3 In the course of hydration and dehydration, certain organic substances can form rubber- or gel-like structures (supramolecular networks and undergo transitions between swollen and collapsed network structures.

(4 Organic gels or (semi-solid amorphous shells (glassy, rubbery, ultra-viscous with low molecular diffusivity can kinetically limit the uptake and release of water and may influence the hygroscopic growth and activation of aerosol particles as cloud condensation nuclei (CCN and ice nuclei (IN. Moreover, (semi-solid amorphous phases may influence the uptake of gaseous photo

Quasicrystalline and crystalline phases in Al65Cu20(Fe, Cr)15 alloys

International Nuclear Information System (INIS)

Liu, W.; Koester, U.; Mueller, F.; Rosenberg, M.

1992-01-01

Two types of icosahedral quasicrystals are observed in Al 65 Cu 20 Fe 15-x Cr x (0 ≤ x ≤ 15) alloys, the face-centred AlCuFe-type icosahedral phase with dissoluted Cr and the primitive AlCuCr-type icosahedral phase with dissoluted Fe. In the vicinity of Al 65 Cu 20 Fe 8 Cr 7 a stable decagonal phase (a=0.45 nm and c=1.23 nm) forms competitively with the icosahedral quasicrystals. All these three quasicrystalline phases can be regarded as Hume-Rothery phases stabilized by the energy band factor. The density is measured to be 4.57, 4.44, and 4.11 g/cm 3 for the icosahedral Al 65 Cu 20 Fe 15 , the decagonal Al 65 Cu 20 Fe 8 Cr 7 , and the icosahedral Al 65 Cu 20 Cr 15 alloys, respectively. Depending on the composition in the range between Al 65 Cu 20 Fe 8 Cr 7 and Al 65 Cu 20 Cr 15 , several crystalline phases are observed during the transormation of the AlCuCr-type icosahedral phase: the 1/1-3/2-type orthorhombic (o) and the 1/0-3/2-type tetragonal (t) approximants of the decagonal phase, a hexagonal (h) phase, as well as a long-range vacancy ordered τ 3 -phase derived from a CsCl-type structure with a=0.2923 nm. The structures of all the crystalline phases are closely related to those of the icosahedral (i) and decagonal (d) quasicrystals, which leads to a definite orientation relationship as follows: i5 parallel d10 parallel o[100] parallel t[100] parallel h[001] parallel τ 3 [110]. (orig.)

Crystalline and magnetic ordering in the monoclinic phase of the layered perovskite PAMC

DEFF Research Database (Denmark)

Harris, P.; Lebech, B.; Achiwa, N.

1994-01-01

A single-crystal elastic neutron scattering experiment between 4.2 and 115 K has been performed on the low-temperature monoclinic zeta phase of the layered perovskite bis(propylammonium) manganesetetrachloride (PAMC). The crystalline structure is commensurately modulated, with a modulation vector...

Emergence of topological and topological crystalline phases in TlBiS2 and TlSbS2

KAUST Repository

Zhang, Qingyun

2015-02-11

Using first-principles calculations, we investigate the band structure evolution and topological phase transitions in TlBiS2 and TlSbS2 under hydrostatic pressure as well as uniaxial and biaxial strain. The phase transitions are identified by parity analysis and by calculating the surface states. Zero, one, and four Dirac cones are found for the (111) surfaces of both TlBiS2 and TlSbS2 when the pressure grows, which confirms trivial-nontrivial-trivial phase transitions. The Dirac cones at the (M) over bar points are anisotropic with large out-of-plane component. TlBiS2 shows normal, topological, and topological crystalline insulator phases under hydrostatic pressure, thus being the first compound to exhibit a phase transition from a topological to a topological crystalline insulator.

Emergence of topological and topological crystalline phases in TlBiS2 and TlSbS2

KAUST Repository

Zhang, Qingyun; Cheng, Yingchun; Schwingenschlö gl, Udo

2015-01-01

Using first-principles calculations, we investigate the band structure evolution and topological phase transitions in TlBiS2 and TlSbS2 under hydrostatic pressure as well as uniaxial and biaxial strain. The phase transitions are identified by parity analysis and by calculating the surface states. Zero, one, and four Dirac cones are found for the (111) surfaces of both TlBiS2 and TlSbS2 when the pressure grows, which confirms trivial-nontrivial-trivial phase transitions. The Dirac cones at the (M) over bar points are anisotropic with large out-of-plane component. TlBiS2 shows normal, topological, and topological crystalline insulator phases under hydrostatic pressure, thus being the first compound to exhibit a phase transition from a topological to a topological crystalline insulator.

Temperature, Crystalline Phase and Influence of Substrate Properties in Intense Pulsed Light Sintering of Copper Sulfide Nanoparticle Thin Films.

Science.gov (United States)

Dexter, Michael; Gao, Zhongwei; Bansal, Shalu; Chang, Chih-Hung; Malhotra, Rajiv

2018-02-02

Intense Pulsed Light sintering (IPL) uses pulsed, visible light to sinter nanoparticles (NPs) into films used in functional devices. While IPL of chalcogenide NPs is demonstrated, there is limited work on prediction of crystalline phase of the film and the impact of optical properties of the substrate. Here we characterize and model the evolution of film temperature and crystalline phase during IPL of chalcogenide copper sulfide NP films on glass. Recrystallization of the film to crystalline covellite and digenite phases occurs at 126 °C and 155 °C respectively within 2-7 seconds. Post-IPL films exhibit p-type behavior, lower resistivity (~10 -3 -10 -4  Ω-cm), similar visible transmission and lower near-infrared transmission as compared to the as-deposited film. A thermal model is experimentally validated, and extended by combining it with a thermodynamic approach for crystal phase prediction and via incorporating the influence of film transmittivity and optical properties of the substrate on heating during IPL. The model is used to show the need to a-priori control IPL parameters to concurrently account for both the thermal and optical properties of the film and substrate in order to obtain a desired crystalline phase during IPL of such thin films on paper and polycarbonate substrates.

Schottky barrier formation at amorphous-crystalline interfaces of GeSb phase change materials

NARCIS (Netherlands)

Kroezen, H. J.; Eising, G.; ten Brink, Gert; Palasantzas, G.; Kooi, B. J.; Pauza, A.

2012-01-01

The electrical properties of amorphous-crystalline interfaces in phase change materials, which are important for rewritable optical data storage and for random access memory devices, have been investigated by surface scanning potential microscopy. Analysis of GeSb systems indicates that the surface

Enzymatic biofuel cell based on electrodes modified with lipid liquid-crystalline cubic phases

Science.gov (United States)

Nazaruk, Ewa; Smoliński, Sławomir; Swatko-Ossor, Marta; Ginalska, Grażyna; Fiedurek, Jan; Rogalski, Jerzy; Bilewicz, Renata

Two glassy carbon electrodes modified with enzymes embedded in lyotropic liquid-crystalline cubic phase were used for the biofuel cell construction. The monoolein liquid-crystalline film allowed to avoid separators in the biofuel cell. Glucose and oxygen as fuels, and glucose oxidase and laccase as anode and cathode biocatalysts, respectively were used. The biofuel cell parameters were examined in McIlvaine buffer, pH 7 solution containing 15 mM of glucose and saturated with dioxygen. A series of mediators were tested taking into account their formal potentials, stability in the cubic phase and efficiency of mediation. Most stable was the biofuel cell based on tetrathiafulvalene (TTF) and 2,2‧-azino-bis(3-ethylbenzothiazoline-6-sulfonate) (ABTS) as anode and cathode mediators, respectively. The open-circuit voltage was equal to 450 ± 40 mV. The power densities and current densities were measured for all the systems studied.

Electric-field triggered controlled release of bioactive volatiles from imine-based liquid crystalline phases.

Science.gov (United States)

Herrmann, Andreas; Giuseppone, Nicolas; Lehn, Jean-Marie

2009-01-01

Application of an electric field to liquid crystalline film forming imines with negative dielectric anisotropy, such as N-(4-methoxybenzylidene)-4-butylaniline (MBBA, 1), results in the expulsion of compounds that do not participate in the formation of the liquid crystalline phase. Furthermore, amines and aromatic aldehydes undergo component exchange with the imine by generating constitutional dynamic libraries. The strength of the electric field and the duration of its application to the liquid crystalline film influence the release rate of the expelled compounds and, at the same time, modulate the equilibration of the dynamic libraries. The controlled release of volatile organic molecules with different chemical functionalities from the film was quantified by dynamic headspace analysis. In all cases, higher headspace concentrations were detected in the presence of an electric field. These results point to the possibility of using imine-based liquid crystalline films to build devices for the controlled release of a broad variety of bioactive volatiles as a direct response to an external electric signal.

Theory of phase transformation and reorientation in single crystalline shape memory alloys

International Nuclear Information System (INIS)

Zhu, J J; Liang, N G; Cai, M; Liew, K M; Huang, W M

2008-01-01

A constitutive model, based on an (n+1)-phase mixture of the Mori–Tanaka average theory, has been developed for stress-induced martensitic transformation and reorientation in single crystalline shape memory alloys. Volume fractions of different martensite lattice correspondence variants are chosen as internal variables to describe microstructural evolution. Macroscopic Gibbs free energy for the phase transformation is derived with thermodynamics principles and the ensemble average method of micro-mechanics. The critical condition and the evolution equation are proposed for both the phase transition and reorientation. This model can also simulate interior hysteresis loops during loading/unloading by switching the critical driving forces when an opposite transition takes place

Development of bifunctional microencapsulated phase change materials with crystalline titanium dioxide shell for latent-heat storage and photocatalytic effectiveness

International Nuclear Information System (INIS)

Chai, Luxiao; Wang, Xiaodong; Wu, Dezhen

2015-01-01

Highlights: • We designed and synthesized a sort of bifunctional PCMs-based microcapsules. • These microcapsules have an n-eicosane core and a crystalline TiO 2 shell. • Such a crystalline TiO 2 shell exhibited a good photocatalytic activity. • The microcapsules showed good performance in energy storage and sterilization. - Abstract: A sort of novel bifunctional microencapsulated phase change material (PCM) was designed by encapsulating n-eicosane into a crystalline titanium dioxide (TiO 2 ) shell and, then, was successfully synthesized through in-situ polycondensation in the sol–gel process using tetrabutyl titanate as a titania precursor. The resultant microcapsule samples were characterized by Fourier-transform infrared spectroscopy, energy-dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy to determine their chemical compositions and structures. Furthermore, the crystallinity of the TiO 2 shell was verified by powder X-ray diffraction patterns. It was confirmed that the fluorinions could induce the phase transition from the amorphous TiO 2 to the brookite-form crystals during the sol–gel process, thus resulting in a crystalline TiO 2 shell for the microencapsulated n-eicosane. The scanning and transmission electron microscopy investigations indicated that all of the resultant microcapsules presented a perfect spherical shape with a uniform particle size of 1.5–2 μm, and they also exhibited a well-defined core–shell structure as well as a smooth and compact shell. The crystalline TiO 2 shell made the resultant microcapsules a photocatalytic activity, and therefore, these microcapsules demonstrated a good photocatalytic effect for the chemical degradation and an antimicrobial function for some of the Gram-negative bacteria. Most of all, all of the microencapsulated n-eicosane samples indicated good phase-change performance and high thermal reliability for latent-heat storage and release, and moreover, they achieved a high

Second amorphous-to-crystalline phase transformation in Cu(60)Ti(20)Zr(20) bulk metallic glass.

Science.gov (United States)

Cao, Q P; Li, J F; Zhang, P N; Horsewell, A; Jiang, J Z; Zhou, Y H

2007-06-20

The second amorphous-to-crystalline phase transformation in Cu(60)Ti(20)Zr(20) bulk metallic glass was investigated by differential scanning calorimetry and x-ray diffractometry. The difference of the Gibbs free energies between the amorphous phase and the crystalline products during the transformation is estimated to be about 2.46 kJ mol(-1) at 753 K, much smaller than the 61 kJ mol(-1) obtained assuming that it is a polymorphic transformation. It was revealed that the phase transformation occurs through a eutectic crystallization of Cu(51)Zr(14) and Cu(2)TiZr, having an effective activation energy of the order of 400 kJ mol(-1). The average Avrami exponent n is about 2.0, indicating that the crystallization is diffusion controlled.

Lyotropic liquid crystalline phase behaviour in amphiphile-protic ionic liquid systems.

Science.gov (United States)

Chen, Zhengfei; Greaves, Tamar L; Fong, Celesta; Caruso, Rachel A; Drummond, Calum J

2012-03-21

Approximate partial phase diagrams for nine amphiphile-protic ionic liquid (PIL) systems have been determined by synchrotron source small angle X-ray scattering, differential scanning calorimetry and cross polarised optical microscopy. The binary phase diagrams of some common cationic (hexadecyltrimethyl ammonium chloride, CTAC, and hexadecylpyridinium bromide, HDPB) and nonionic (polyoxyethylene (10) oleyl ether, Brij 97, and Pluronic block copolymer, P123) amphiphiles with the PILs, ethylammonium nitrate (EAN), ethanolammonium nitrate (EOAN) and diethanolammonium formate (DEOAF), have been studied. The phase diagrams were constructed for concentrations from 10 wt% to 80 wt% amphiphile, in the temperature range 25 °C to >100 °C. Lyotropic liquid crystalline phases (hexagonal, cubic and lamellar) were formed at high surfactant concentrations (typically >50 wt%), whereas at thermal stability of the phases formed by these surfactants persisted to temperatures above 100 °C. The phase behaviour of amphiphile-PIL systems was interpreted by considering the PIL cohesive energy, liquid nanoscale order, polarity and ionicity. For comparison the phase behaviour of the four amphiphiles was also studied in water.

Nature of phase transitions in crystalline and amorphous GeTe-Sb2Te3 phase change materials.

Science.gov (United States)

Kalkan, B; Sen, S; Clark, S M

2011-09-28

The thermodynamic nature of phase stabilities and transformations are investigated in crystalline and amorphous Ge(1)Sb(2)Te(4) (GST124) phase change materials as a function of pressure and temperature using high-resolution synchrotron x-ray diffraction in a diamond anvil cell. The phase transformation sequences upon compression, for cubic and hexagonal GST124 phases are found to be: cubic → amorphous → orthorhombic → bcc and hexagonal → orthorhombic → bcc. The Clapeyron slopes for melting of the hexagonal and bcc phases are negative and positive, respectively, resulting in a pressure dependent minimum in the liquidus. When taken together, the phase equilibria relations are consistent with the presence of polyamorphism in this system with the as-deposited amorphous GST phase being the low entropy low-density amorphous phase and the laser melt-quenched and high-pressure amorphized GST being the high entropy high-density amorphous phase. The metastable phase boundary between these two polyamorphic phases is expected to have a negative Clapeyron slope. © 2011 American Institute of Physics

Filling the gap in Ca input-output budgets in base-poor forest ecosystems: The contribution of non-crystalline phases evidenced by stable isotopic dilution

Science.gov (United States)

van der Heijden, Gregory; Legout, Arnaud; Mareschal, Louis; Ranger, Jacques; Dambrine, Etienne

2017-07-01

solution chemistry on very short-term time scales. These phases are very abundant in acid soils and, in the present study, represent a substantial calcium pool (equivalent in size to the Ca exchangeable pool). The gradual isotopic dilution of Mg and Ca isotope ratios in the leaching solution during the experiment evidenced an input flux of Mg and Ca originating from a pool other than the labile pool. While the Mg input flux originated primarily from the weathering of primary minerals and secondarily from the non-crystalline phases, the Ca input flux originated primarily from the non-crystalline phases. Our results also show that the net calcium release flux from these phases may represent a significant source of calcium in forest ecosystems and actively contribute to compensating the depletion of Ca exchangeable pools in the soil. Non-crystalline phases therefore should be taken into account when computing input-output nutrient budgets and soil acid neutralizing capacity.

Crystalline and Crystalline International Disposal Activities

Energy Technology Data Exchange (ETDEWEB)

Viswanathan, Hari S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chu, Shaoping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Dittrich, Timothy M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hyman, Jeffrey De' Haven [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Karra, Satish [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Makedonska, Nataliia [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Reimus, Paul William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-03-06

This report presents the results of work conducted between September 2015 and July 2016 at Los Alamos National Laboratory in the crystalline disposal and crystalline international disposal work packages of the Used Fuel Disposition Campaign (UFDC) for DOE-NE’s Fuel Cycle Research and Development program. Los Alamos focused on two main activities during this period: Discrete fracture network (DFN) modeling to describe flow and radionuclide transport in complex fracture networks that are typical of crystalline rock environments, and a comprehensive interpretation of three different colloid-facilitated radionuclide transport experiments conducted in a fractured granodiorite at the Grimsel Test Site in Switzerland between 2002 and 2013. Chapter 1 presents the results of the DFN work and is divided into three main sections: (1) we show results of our recent study on the correlation between fracture size and fracture transmissivity (2) we present an analysis and visualization prototype using the concept of a flow topology graph for characterization of discrete fracture networks, and (3) we describe the Crystalline International work in support of the Swedish Task Force. Chapter 2 presents interpretation of the colloidfacilitated radionuclide transport experiments in the crystalline rock at the Grimsel Test Site.

Crystalline liquids: the blue phases

Science.gov (United States)

Wright, David C.; Mermin, N. David

1989-04-01

The blue phases of cholesteric liquid crystals are liquids that exhibit orientational order characterized by crystallographic space-group symmetries. We present here a pedagogical introduction to the current understanding of the equilibrium structure of these phases accompanied by a general overview of major experimental results. Using the Ginzburg-Landau free energy appropriate to the system, we first discuss in detail the character and stability of the usual helical phase of cholesterics, showing that for certain parameter ranges the helical phase is unstable to the appearance of one or more blue phases. The two principal models for the blue phases are two limiting cases of the Ginzburg-Landau theory. We explore each limit and conclude with some general considerations of defects in both models and an exact minimization of the free energy in a curved three-dimensional space.

Confined crystallization, crystalline phase deformation and their effects on the properties of crystalline polymers

Science.gov (United States)

Wang, Haopeng

volume hole size in propylene/ethylene copolymers over a range in comonomer content. Above the glass transition temperature (Tg), the reduced free volume hole size and the densification of the amorphous phase were attributed to constraint imposed on rubbery amorphous chain segments by attached chain segments in crystals. However constant free volume fraction was found at Tg, across the crystallinity range of the copolymers, in agreement with the iso-free volume concept of glass transition.

The transformation of amorphous calcium carbonate, ACC, to crystalline phases as function of time and temperature.

Science.gov (United States)

Gies, Hermann; Happel, Marian; Niedermayr, Andrea; Immenhauser, Adrian

2017-04-01

We present results from a structural study of the transformation of freeze dried amorphous calcium carbonate, ACC, in crystalline material using pair distribution function analysis, PDF analysis, of X-ray powder diffraction data, XPD data. PDF analysis allows for the analysis of local order of structural subunit in the range between molecular unit (1. and 2. coordination sphere) and long range periodicity as in crystalline materials. ACC was precipitated from aqueous solutions at 298 K and 278 K using different amounts of Mg cations as stabilizer. The samples were immediately separated from the solution and freeze dried. For the transformation study, the samples were heated and analysed using XPD until they were crystallized. The radial distribution obtained from the XPD data were compared to simulated radial distributions of the calcium carbonate polymorphs and their hydrated phases. An ACC precipitated from a solution with Ca:Mg:CO3 = 1:5:4 at 298 K (ration in mmol, pH = 8.2) and freeze dried right after isolation from the solution revealed a close resemblance with ikaite in its local order. Another ACC with Ca:Mg:CO3 = 1:10:1.4 (T = 298, pH = 8.7) showed distinctly different local order resembling monohydrocalcite. Both ACC, however, still had considerable amounts of water dominating the Ca-coordination sphere. During the transformation to calcite, the structural changes in the sample concerned the hydrate water coordinating Ca which was removed and replaced by the carbonate oxygens. The study shows that ACC obtained from different starting solutions show specific local order. Freeze drying leads to solid ACC powder which still contain considerable amounts of hydrate water. Structural subunits are distinct in ACC and different from the crystalline phase. The study supplements recent reports presented by Konrad et al., Purgstaller et al., and Tobler et al.. F. Konrad et al., Cryst. Growth Des. 16, 6310-6317(2016) B. Purgstaller et al., Geochimica et Cosmochimica

Assessment of wave propagation on surfaces of crystalline lens with phase sensitive optical coherence tomography

International Nuclear Information System (INIS)

Manapuram, R K; Larin, K V; Baranov, S A; Manne, V G R; Mashiatulla, M; Sudheendran, N; Aglyamov, S; Emelianov, S

2011-01-01

We propose a real-time technique based on phase-sensitive swept source optical coherence tomography (PhS-SSOCT) modality for noninvasive quantification of very small optical path length changes produced on the surface of a mouse crystalline lens. Propagation of submicron mechanical waves on the surface of the lens was induced by periodic mechanical stimulation. Obtained results demonstrate that the described method is capable of detecting minute damped vibrations with amplitudes as small as 30 nanometers on the lens surface and hence, PhS-SSOCT could be potentially used to assess biomechanical properties of a crystalline lens with high accuracy and sensitivity

Impact of vacancy ordering on thermal transport in crystalline phase-change materials

International Nuclear Information System (INIS)

Siegert, K S; Lange, F R L; Sittner, E R; Volker, H; Schlockermann, C; Wuttig, M; Siegrist, T

2015-01-01

Controlling thermal transport in solids is of paramount importance for many applications. Often thermal management is crucial for a device's performance, as it affects both reliability and power consumption. A number of intricate concepts have been developed to address this challenge, such as diamond-like coatings to enhance the thermal conductivity or low symmetry complex super-structures to reduce it. Here, a different approach is pursued, where we explore the potential of solids with a high yet controllable degree of disorder. Recently, it has been demonstrated that an unconventionally high degree of structural disorder characterizes a number of crystalline phase-change materials (PCMs). This disorder strongly impacts electronic transport and even leads to disorder induced localization (Anderson localization). This raises the question how thermal transport is affected by such conditions. Here thermal transport in highly disordered crystalline Ge–Sb–Te (GST) based PCMs is investigated. Glass-like thermal properties are observed for several crystalline PCMs, which are attributed to strong scattering by disordered point defects. A systematic study of different compounds along the pseudo-binary line between GeTe and Sb 2 Te 3 reveals that disordered vacancies act as point defects responsible for pronounced phonon scattering. Annealing causes a gradual ordering of the vacancies and leads to a more ‘crystal-like’ thermal conductivity. While both vibrational and electronic degrees of freedom are affected by disorder, the consequences differ for different stoichiometries. This opens up a pathway to tune electrical and thermal transport by controlling the degree of disorder. Materials with tailored transport properties may not only help to improve power efficiency and scaling in upcoming phase-change memories but are also of fundamental interest in the field of thermoelectric materials. (key issues review)

Impact of vacancy ordering on thermal transport in crystalline phase-change materials.

Science.gov (United States)

Siegert, K S; Lange, F R L; Sittner, E R; Volker, H; Schlockermann, C; Siegrist, T; Wuttig, M

2015-01-01

Controlling thermal transport in solids is of paramount importance for many applications. Often thermal management is crucial for a device's performance, as it affects both reliability and power consumption. A number of intricate concepts have been developed to address this challenge, such as diamond-like coatings to enhance the thermal conductivity or low symmetry complex super-structures to reduce it. Here, a different approach is pursued, where we explore the potential of solids with a high yet controllable degree of disorder. Recently, it has been demonstrated that an unconventionally high degree of structural disorder characterizes a number of crystalline phase-change materials (PCMs). This disorder strongly impacts electronic transport and even leads to disorder induced localization (Anderson localization). This raises the question how thermal transport is affected by such conditions. Here thermal transport in highly disordered crystalline Ge-Sb-Te (GST) based PCMs is investigated. Glass-like thermal properties are observed for several crystalline PCMs, which are attributed to strong scattering by disordered point defects. A systematic study of different compounds along the pseudo-binary line between GeTe and Sb2Te3 reveals that disordered vacancies act as point defects responsible for pronounced phonon scattering. Annealing causes a gradual ordering of the vacancies and leads to a more 'crystal-like' thermal conductivity. While both vibrational and electronic degrees of freedom are affected by disorder, the consequences differ for different stoichiometries. This opens up a pathway to tune electrical and thermal transport by controlling the degree of disorder. Materials with tailored transport properties may not only help to improve power efficiency and scaling in upcoming phase-change memories but are also of fundamental interest in the field of thermoelectric materials.

Mesomorphous versus traces of crystallinity: The itraconazole example

Energy Technology Data Exchange (ETDEWEB)

Atassi, Faraj, E-mail: fatassi@yahoo.com; Behme, Robert J.; Patel, Phenil J.

2013-12-20

Highlights: • Characterizing partially disordered pharmaceuticals is very challenging due to the fact that more than one discrete disordered phase can be present. • Dynamic mechanical analysis and dielectric analysis are extremely helpful in characterizing pharmaceutical mesophases (liquid crystals). • Thermotropic pharmaceutical mesophases, often mistaken as amorphous or partially crystalline, can show different phases of liquid crystallinity at different temperature. • Liquid crystalline pharmaceutical materials often show amorphous behavior along with other characteristics specific to mesomorphous materials. • The thermal and mechanical history of pharmaceutical disordered samples has a significant effect on their phase composition. - Abstract: Characterizing disordered pharmaceutical materials can be challenging, especially materials with partially disordered structures that lose one or two directional order (mesophases) and do not fit the traditional characterization categories of amorphous, crystalline or a combination of the two. Itraconazole, an antifungal agent, was chosen as a model compound that, when quench cooled, exhibits atypical disordered structure. Five different analytical tools were used to map out the molecular structure of this material and how it changes with changing temperature. X-ray diffraction showed some remnant crystallinity while dielectric analysis, dynamic mechanical analysis, DSC and hot stage microscopy gave more detailed molecular structure of the disordered material and explained all temperature related structural changes. The characterization of mesomorphous Itraconazole described here will help characterize a wide range of pharmaceuticals that exhibit thermotropic (temperature induced) mesomorphism at the molecular level.

Mesomorphous versus traces of crystallinity: The itraconazole example

International Nuclear Information System (INIS)

Atassi, Faraj; Behme, Robert J.; Patel, Phenil J.

2013-01-01

Highlights: • Characterizing partially disordered pharmaceuticals is very challenging due to the fact that more than one discrete disordered phase can be present. • Dynamic mechanical analysis and dielectric analysis are extremely helpful in characterizing pharmaceutical mesophases (liquid crystals). • Thermotropic pharmaceutical mesophases, often mistaken as amorphous or partially crystalline, can show different phases of liquid crystallinity at different temperature. • Liquid crystalline pharmaceutical materials often show amorphous behavior along with other characteristics specific to mesomorphous materials. • The thermal and mechanical history of pharmaceutical disordered samples has a significant effect on their phase composition. - Abstract: Characterizing disordered pharmaceutical materials can be challenging, especially materials with partially disordered structures that lose one or two directional order (mesophases) and do not fit the traditional characterization categories of amorphous, crystalline or a combination of the two. Itraconazole, an antifungal agent, was chosen as a model compound that, when quench cooled, exhibits atypical disordered structure. Five different analytical tools were used to map out the molecular structure of this material and how it changes with changing temperature. X-ray diffraction showed some remnant crystallinity while dielectric analysis, dynamic mechanical analysis, DSC and hot stage microscopy gave more detailed molecular structure of the disordered material and explained all temperature related structural changes. The characterization of mesomorphous Itraconazole described here will help characterize a wide range of pharmaceuticals that exhibit thermotropic (temperature induced) mesomorphism at the molecular level

Lattice Boltzmann simulations of liquid crystalline fluids: active gels and blue phases

OpenAIRE

Cates, M. E.; Henrich, O.; Marenduzzo, D.; Stratford, K.

2010-01-01

Lattice Boltzmann simulations have become a method of choice to solve the hydrodynamic equations of motion of a number of complex fluids. Here we review some recent applications of lattice Boltzmann to study the hydrodynamics of liquid crystalline materials. In particular, we focus on the study of (a) the exotic blue phases of cholesteric liquid crystals, and (b) active gels - a model system for actin plus myosin solutions or bacterial suspensions. In both cases lattice Boltzmann studies have...

Tuning Eu"3"+ emission in europium sesquioxide films by changing the crystalline phase

International Nuclear Information System (INIS)

Mariscal, A.; Quesada, A.; Camps, I.; Palomares, F.J.; Fernández, J.F.; Serna, R.

2016-01-01

Highlights: • PLD production of high quality europium sesquioxide (Eu_2O_3) films. • The deposition of Al_2O_3 capping and/or buffer layers modifies the crystallization for Eu_2O_3 films upon annealing. • The formation of cubic or monoclinic phases can be favored. • Eu"3"+ emission tuning is achieved as a consequence of crystal field effects. - Abstract: We report the growth of europium sesquioxide (Eu_2O_3) thin films by pulsed laser deposition (PLD) in vacuum at room temperature from a pure Eu_2O_3 ceramic bulk target. The films were deposited in different configurations formed by adding capping and/or buffer layers of amorphous aluminum oxide (a-Al_2O_3). The optical properties, refractive index and extinction coefficient of the as deposited Eu_2O_3 layers were obtained. X-ray photoelectron spectroscopy (XPS) measurements were done to assess its chemical composition. Post-deposition annealing was performed at 500 °C and 850 °C in air in order to achieve the formation of crystalline films and to accomplish photoluminescence emission. According to the analysis of X-ray diffraction (XRD) spectra, cubic and monoclinic phases were formed. It is found that the relative amount of the phases is related to the different film configurations, showing that the control over the crystallization phase can be realized by adequately designing the structures. All the films showed photoluminescence emission peaks (under excitation at 355 nm) that are attributed to the intra 4f-transitions of Eu"3"+ ions. The emission spectral shape depends on the crystalline phase of the Eu_2O_3 layer. Specifically, changes in the hypersensitive "5D_0 → "7F_2 emission confirm the strong influence of the crystal field effect on the Eu"3"+ energy levels.

Determination of crystallinity of ceramic materials from the Ruland Method

International Nuclear Information System (INIS)

Kniess, C.T.; Prates, P.B.; Gomes Junior, J.C.; Lima, J.C. de; Riella, H.G.; Kuhnen, N.C.

2011-01-01

Some methods found in literature approach the different characteristics between crystalline and amorphous phases by X ray diffraction technique. These methods use the relation between the intensities of the crystalline peaks and background amorphous or the absolute intensity of one of these to determine the relative amount of crystalline and amorphous material. However, a crystalline substance presents shows coherent diffuse scattering and a loss in the intensity of the peaks of diffraction in function of thermal vibrations of atoms and imperfections in the crystalline structure. A correct method for the determination of the crystallinity must take in account these effects. This work has as objective to determine the crystallinity of ceramic materials obtained with the addition of mineral coal bottom ashes, using the X ray diffraction technique and the Ruland Method, that considers the diminution of the intensity of the crystalline peak because of the disorder affects. The Ruland Method shows adequate for the determination of the crystallinity of the ceramic materials. (author)

High-resolution observation of phase contrast at 1MeV. Amorphous or crystalline objects

International Nuclear Information System (INIS)

Bourret, A.; Desseaux, J.

1975-01-01

Many authors have stressed the possibilities of high voltage to improve resolution, but owing to numerous experimental difficulties the resolution limit at 1MeV, which lies around 1A for conventional lenses, has so far been unattainable. Thus the phase contrast at 1MeV has not been studied on evaporated objects. On the other hand the fringes of crystal planes have been observed at 1MeV. the CEN-G microscope having been considerably modified it has been possible to observe the phase contrast of amorphous or crystalline objects [fr

Liquid Crystalline Perylene diimides : Architecture and Charge Carrier Mobilities

NARCIS (Netherlands)

Struijk, C.W.; Sieval, A.B.; Dakhorst, J.E.J.; Dijk, van M.; Kimkes, P.; Koehorst, R.B.M.; Donker, H.

2000-01-01

The phase behavior of three N-alkyl-substituted perylene diimide derivatives is examined by differential scanning calorimetry and polarized optical microscopy. The occurrence of multiple phase transitions indicates several crystalline and several liquid crystalline phases. X-ray diffraction

Nanoscale characteristics of triacylglycerol oils: phase separation and binding energies of two-component oils to crystalline nanoplatelets.

Science.gov (United States)

MacDougall, Colin J; Razul, M Shajahan; Papp-Szabo, Erzsebet; Peyronel, Fernanda; Hanna, Charles B; Marangoni, Alejandro G; Pink, David A

2012-01-01

Fats are elastoplastic materials with a defined yield stress and flow behavior and the plasticity of a fat is central to its functionality. This plasticity is given by a complex tribological interplay between a crystalline phase structured as crystalline nanoplatelets (CNPs) and nanoplatelet aggregates and the liquid oil phase. Oil can be trapped within microscopic pores within the fat crystal network by capillary action, but it is believed that a significant amount of oil can be trapped by adsorption onto crystalline surfaces. This, however, remains to be proven. Further, the structural basis for the solid-liquid interaction remains a mystery. In this work, we demonstrate that the triglyceride liquid structure plays a key role in oil binding and that this binding could potentially be modulated by judicious engineering of liquid triglyceride structure. The enhancement of oil binding is central to many current developments in this area since an improvement in the health characteristics of fat and fat-structured food products entails a reduction in the amount of crystalline triacylglycerols (TAGs) and a relative increase in the amount of liquid TAGs. Excessive amounts of unbound, free oil, will lead to losses in functionality of this important food component. Engineering fats for enhanced oil binding capacity is thus central to the design of more healthy food products. To begin to address this, we modelled the interaction of triacylglycerol oils, triolein (OOO), 1,2-olein elaidin (OOE) and 1,2-elaidin olein (EEO) with a model crystalline nanoplatelet composed of tristearin in an undefined polymorphic form. The surface of the CNP in contact with the oil was assumed to be planar. We considered pure OOO and mixtures of OOO + OOE and OOO + EEO with 80% OOO. The last two cases were taken as approximations to high oleic sunflower oil (HOSO). The intent was to investigate whether phase separation on a nanoscale took place. We defined an "oil binding capacity" parameter, B

Crystalline and Crystalline International Disposal Activities

Energy Technology Data Exchange (ETDEWEB)

Viswanathan, Hari S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chu, Shaoping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Reimus, Paul William [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Makedonska, Nataliia [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hyman, Jeffrey De' Haven [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Karra, Satish [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Dittrich, Timothy M. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2015-12-21

This report presents the results of work conducted between September 2014 and July 2015 at Los Alamos National Laboratory in the crystalline disposal and crystalline international disposal work packages of the Used Fuel Disposition Campaign (UFDC) for DOE-NE’s Fuel Cycle Research and Development program.

The evolution of strength and crystalline phases for alkali-activated ground blast furnace slag and fly ash-based geopolymers

KAUST Repository

Oh, Jae Eun

2010-02-01

The increase in strength and evolution of crystalline phases in inorganic polymer cement, made by the alkali activation of slag, Class C and Class F fly ashes, was followed using compressive strength test and synchrotron X-ray diffraction. In order to increase the crystallinity of the product the reactions were carried out at 80 °C. We found that hydrotalcite formed in both the alkali-activated slag cements and the fly ash-based geopolymers. Hydroxycancrinite, one member of the ABC-6 family of zeolites, was found only in the fly ash geopolymers. Assuming that the predominantly amorphous geopolymer formed under ambient conditions relates to the crystalline phases found when the mixture is cured at high temperature, we propose that the structure of this zeolitic precursor formed in Na-based high alkaline environment can be regarded as a disordered form of the basic building unit of the ABC-6 group of zeolites which includes poly-types such as hydroxycancrinite, hydroxysodalite and chabazite-Na. © 2009 Elsevier Ltd.

The evolution of strength and crystalline phases for alkali-activated ground blast furnace slag and fly ash-based geopolymers

International Nuclear Information System (INIS)

Oh, Jae Eun; Monteiro, Paulo J.M.; Jun, Ssang Sun; Choi, Sejin; Clark, Simon M.

2010-01-01

The increase in strength and evolution of crystalline phases in inorganic polymer cement, made by the alkali activation of slag, Class C and Class F fly ashes, was followed using compressive strength test and synchrotron X-ray diffraction. In order to increase the crystallinity of the product the reactions were carried out at 80 deg. C. We found that hydrotalcite formed in both the alkali-activated slag cements and the fly ash-based geopolymers. Hydroxycancrinite, one member of the ABC-6 family of zeolites, was found only in the fly ash geopolymers. Assuming that the predominantly amorphous geopolymer formed under ambient conditions relates to the crystalline phases found when the mixture is cured at high temperature, we propose that the structure of this zeolitic precursor formed in Na-based high alkaline environment can be regarded as a disordered form of the basic building unit of the ABC-6 group of zeolites which includes poly-types such as hydroxycancrinite, hydroxysodalite and chabazite-Na.

The fabrication of quantum wires in silicon utilising the characteristics of solid phase epitaxial regrowth of crystalline silicon

International Nuclear Information System (INIS)

Liu, A.C.Y.; McCallum, J.C.

1998-01-01

The process of solid phase epitaxy (SPE) in semiconductor materials is one which has been intensively researched due to possible applications in the semiconductor industry. SPE is a solid phase transformation, in which an amorphous layer can be recrystallized either through heating or a combination of heating and ion bombardment. The transformation is believed to occur exclusively at the interface between the amorphous and crystalline layers, with individual atoms from the amorphous phase being incorporated into the crystalline phase by some point defect mechanism. The process has been observed to follow an Arrhenius temperature dependence. A wafer silicon was subjected to a multi-energy silicon implant through a fine nickel grid to amorphise region to a depth of 5μm creating an array of amorphous wells. Metal impurity atoms were then implanted in this region at energy of 500 keV. Samples were examined using an optical microscope and the Alphastep profiler at RMIT. It was confirmed that burgeoning wells were about 2 μm wide and rose about 0.01 μm above the silicon substrate

Combined toxicity of two crystalline phases (anatase and rutile) of Titania nanoparticles towards freshwater microalgae: Chlorella sp

Energy Technology Data Exchange (ETDEWEB)

Iswarya, V.; Bhuvaneshwari, M.; Alex, Sruthi Ann; Iyer, Siddharth; Chaudhuri, Gouri [Centre for Nanobiotechnology, VIT University, Vellore (India); Chandrasekaran, Prathna Thanjavur [Department of Materials Engineering, Indian Institute of Science, Bangalore (India); Bhalerao, Gopalkrishna M.; Chakravarty, Sujoy [UGC-DAE CSR, Kalpakkam Node, Kokilamedu (India); Raichur, Ashok M. [Department of Materials Engineering, Indian Institute of Science, Bangalore (India); Chandrasekaran, N. [Centre for Nanobiotechnology, VIT University, Vellore (India); Mukherjee, Amitava, E-mail: amit.mookerjea@gmail.com [Centre for Nanobiotechnology, VIT University, Vellore (India)

2015-04-15

Highlights: • Toxicity of two crystalline phases of titania NPs on freshwater microalgae studied. • (Anatase, Rutile) mixture showed additive and antagonistic effect on microalgae. • Rutile had more colloidal stability than anatase and binary mixtures. • ROS generation varied with the crystallinity of the NPs. • Ultrastructural damages observed in TEM images. - Abstract: In view of the increasing usage of anatase and rutile crystalline phases of titania NPs in the consumer products, their entry into the aquatic environment may pose a serious risk to the ecosystem. In the present study, the possible toxic impact of anatase and rutile nanoparticles (individually and in binary mixture) was investigated using freshwater microalgae, Chlorella sp. at low exposure concentrations (0.25, 0.5 and 1 mg/L) in freshwater medium under UV irradiation. Reduction of cell viability as well as a reduction in chlorophyll content were observed due to the presence of NPs. An antagonistic effect was noted at certain concentrations of binary mixture such as (0.25, 0.25), (0.25, 0.5), and (0.5, 0.5) mg/L, and an additive effect for the other combinations, (0.25, 1), (0.5, 0.25), (0.5, 1), (1, 0.25), (1, 0.5), and (1, 1) mg/L. The hydrodynamic size analyses in the test medium revealed that rutile NPs were more stable in lake water than the anatase and binary mixtures [at 6 h, the sizes of anatase (1 mg/L), rutile NPs (1 mg/L), and binary mixture (1, 1 mg/L) were 948.83 ± 35.01 nm, 555.74 ± 19.93 nm, and 1620.24 ± 237.87 nm, respectively]. The generation of oxidative stress was found to be strongly dependent on the crystallinity of the nanoparticles. The transmission electron microscopic images revealed damages in the nucleus and cell membrane of algal cells due to the interaction of anatase NPs, whereas rutile NPs were found to cause chloroplast and internal organelle damages. Mis-shaped chloroplasts, lack of nucleus, and starch-pyrenoid complex were noted in binary

PHOTOMETRIC MEASUREMENTS OF H{sub 2}O ICE CRYSTALLINITY ON TRANS-NEPTUNIAN OBJECTS

Energy Technology Data Exchange (ETDEWEB)

Terai, Tsuyoshi [Subaru Telescope, National Astronomical Observatory of Japan, 650 North A‘ohoku Place, Hilo, HI 96720 (United States); Itoh, Yoichi [Center for Astronomy, University of Hyogo, 407-2 Nishigaichi, Sayo-cho, Sayo-gun, Hyogo 679-5313 (Japan); Oasa, Yumiko [Faculty of Education, Saitama University, 255 Shimo-Okubo, Sakura, Saitama 338-8570 (Japan); Furusho, Reiko; Watanabe, Junichi, E-mail: tsuyoshi.terai@nao.ac.jp [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan)

2016-08-10

We present a measurement of H{sub 2}O ice crystallinity on the surface of trans-neptunian objects with near-infrared narrow-band imaging. The newly developed photometric technique allows us to efficiently determine the strength of a 1.65 μ m absorption feature in crystalline H{sub 2}O ice. Our data for three large objects—Haumea, Quaoar, and Orcus—which are known to contain crystalline H{sub 2}O ice on the surfaces, show a reasonable result with high fractions of the crystalline phase. It can also be pointed out that if the grain size of H{sub 2}O ice is larger than ∼20 μ m, the crystallinities of these objects are obviously below 1.0, which suggests the presence of the amorphous phase. In particular, Orcus exhibits a high abundance of amorphous H{sub 2}O ice compared to Haumea and Quaoar, possibly indicating a correlation between the bulk density of the bodies and the degree of surface crystallization. We also found the presence of crystalline H{sub 2}O ice on Typhon and 2008 AP{sub 129}, both of which are smaller than the minimum size limit for inducing cryovolcanism as well as a transition from amorphous to crystalline phase through thermal evolution due to the decay of long-lived isotopes.

Durability of crystalline phase in concrete microstructure modified by the mineral powders: evaluation by nanoindentation tests

Directory of Open Access Journals (Sweden)

Rajczakowska Magdalena

2016-03-01

Full Text Available This paper presents the nanoindentation investigation of the evolution of concrete microstructure modified by the Internal Crystallization Technology mineral powders. The samples under study were retrieved from a fragment of a circular concrete lining of the vertical mine shaft at a depth of approximately 1,000 m. Due to the aggressive environment and exposure to contaminated water, the internal surface of the structure was deteriorated, decreasing its strength significantly. The mineral powders were applied directly on the surface lining. The specimens were investigated one month, three months and one year after the application of the aforementioned substance in order to verify the time dependence of the strengthening processes and durability of the crystalline phase. The microstructural changes of concrete were assessed with the use of nanoindentation technique. The testing procedure involved including the previously cut specimens in the epoxy resin and grinding and polishing in order to reduce the surface roughness. As a result of the nanoindentation tests the hardness as well as Young’s modulus of the material were evaluated. The results were then compared and statistically analyzed. As a consequence, the disintegration time of the crystalline network in the pores of concrete was identified.

A study on crystalline phases present in the as-solidified and crystallized microstructures in Zr53Cu21Al10Ni8Ti8 alloy

International Nuclear Information System (INIS)

Neogy, S.; Tewari, R.; Srivastava, D.; Dey, G.K.

2011-01-01

In the present study the as-solidified and crystallized microstructures of Zr 53 Cu 21 Al 10 Ni 8 Ti 8 alloy have been examined in detail. Solidification was carried out by melt spinning, suction casting and copper mould casting techniques. The last technique yielded a partially crystalline microstructure, whereas, the other two techniques resulted in amorphous microstructures. (author)

Selecting polymers for two-phase partitioning bioreactors (TPPBs): Consideration of thermodynamic affinity, crystallinity, and glass transition temperature.

Science.gov (United States)

Bacon, Stuart L; Peterson, Eric C; Daugulis, Andrew J; Parent, J Scott

2015-01-01

Two-phase partitioning bioreactor technology involves the use of a secondary immiscible phase to lower the concentration of cytotoxic solutes in the fermentation broth to subinhibitory levels. Although polymeric absorbents have attracted recent interest due to their low cost and biocompatibility, material selection requires the consideration of properties beyond those of small molecule absorbents (i.e., immiscible organic solvents). These include a polymer's (1) thermodynamic affinity for the target compound, (2) degree of crystallinity (wc ), and (3) glass transition temperature (Tg ). We have examined the capability of three thermodynamic models to predict the partition coefficient (PC) for n-butyric acid, a fermentation product, in 15 polymers. Whereas PC predictions for amorphous materials had an average absolute deviation (AAD) of ≥16%, predictions for semicrystalline polymers were less accurate (AAD ≥ 30%). Prediction errors were associated with uncertainties in determining the degree of crystallinity within a polymer and the effect of absorbed water on n-butyric acid partitioning. Further complications were found to arise for semicrystalline polymers, wherein strongly interacting solutes increased the polymer's absorptive capacity by actually dissolving the crystalline fraction. Finally, we determined that diffusion limitations may occur for polymers operating near their Tg , and that the Tg can be reduced by plasticization by water and/or solute. This study has demonstrated the impact of basic material properties that affects the performance of polymers as sequestering phases in TPPBs, and reflects the additional complexity of polymers that must be taken into account in material selection. © 2015 American Institute of Chemical Engineers.

Soil Crystallinity As a Climate Indicator: Field Experiments on Earth and Mars

Science.gov (United States)

Horgan, Briony; Scudder, Noel; Rampe, Elizabeth; Rutledge, Alicia

2016-01-01

Soil crystallinity is largely determined by leaching rates, as high leaching rates favor the rapid precipitation of short order or poorly-crystalline phases like the aluminosilicate allophane. High leaching rates can occur due to high precipitation rates, seasonal monsoons, or weathering of glass, but are also caused by the rapid onset of seasonal melting of snow and ice in cold environments. Thus, cold climate soils are commonly dominated by poorly crystalline phases, which mature into kaolin minerals over time. Thus, we hypothesize that, in some contexts, soils with high abundances of poorly crystalline phases could indicate formation under cold climatic conditions. This model could be helpful in interpreting the poorly-constrained paleoclimate of ancient Mars, as the crystallinity of ancient soils and soil-derived sediments appears to be highly variable in time and space. While strong signatures of crystalline phyllosilicates have been identified in possible ancient paleosols on Mars, Mars Science Laboratory rover investigations of diverse ancient sediments at Gale Crater has shown that they can contain very high abundances (40-50 wt%) of poorly crystalline phases. We hypothesize that these poorly crystalline phases could be the result of weathering by ice/snow melt, perhaps providing support for sustained cold climates on early Mars punctuated by more limited warm climates. Furthermore, such poorly crystalline soils could be highly fertile growth media for future human exploration and colonization on Mars. To test this hypothesis, we are currently using rover-like instrumentation to investigate the mineralogy and chemistry of weathering products generated by snow and ice melt in a Mars analog alpine environment: the glaciated Three Sisters volcanic complex in central Oregon. Alteration in this glacial environment generates high abundances of poorly crystalline phases, many of which have compositions distinct from those identified in previous terrestrial

HRL Aespoe - two-phase flow experiment - gas and water flow in fractured crystalline rock

International Nuclear Information System (INIS)

Kull, H.; Liedtke, L.

1998-01-01

(The full text of the contribution follows:) Gas generated from radioactive waste may influence the hydraulic and mechanical properties of the man-made barriers and the immediate surroundings of the repository. Prediction of alteration in fractured crystalline rock is difficult. There is a lack of experimental data, and calibrated models are not yet available. Because of the general importance of this matter the German Federal Ministry for Education, Science, Research and Technology decided to conduct a two-phase flow study at HRL Aespoe within the scope of the co-operation agreement with SKB. Within the presentation an overview of field experiments and modelling studies scheduled until end of '99 are given. Conceptual models for one- and two-phase flow, methodologies and with respect to numerical calculations necessary parameter set-ups are discussed. Common objective of in-situ experiments is to calibrate flow models to improve the reliability of predictions for gas migration through fractured rock mass. Hence, in a defined dipole flow field in niche 2/715 at HRL Aespoe effective hydraulic parameters are evaluated. Numerical modelling of non-isothermal, two-phase, two-component processes is feasible only for two-dimensional representation of a porous medium. To overcome this restriction a computer program will be developed to model three-dimensional, fractured, porous media. Rational aspects of two-phase flow studies are for the designing of geotechnical barriers and for the long-term safety analysis of potential radionuclide transport in a future repository required for the licensing process

Nature of metastable amorphous-to-crystalline reversible phase transformations in GaSb

Energy Technology Data Exchange (ETDEWEB)

Kalkan, B. [Advanced Light Source, Lawrence Berkeley Laboratory, Berkeley, California 20015 (United States); Edwards, T. G.; Sen, S. [Department of Chemical Engineering and Materials Science, University of California, Davis, California 95616 (United States); Raoux, S. [IBM T. J. Watson Research Center, Yorktown Heights, New York 10598 (United States)

2013-08-28

The structural, thermodynamic, and kinetic aspects of the transformations between the metastable amorphous and crystalline phases of GaSb are investigated as a function of pressure at ambient temperature using synchrotron x-ray diffraction experiments in a diamond anvil cell. The results are consistent with the hypothesis that the pressure induced crystallization of amorphous GaSb into the β-Sn crystal structure near ∼5 GPa is possibly a manifestation of an underlying polyamorphic phase transition between a semiconducting, low density and a metallic, high density amorphous (LDA and HDA, respectively) phases. In this scenario, the large differences in the thermal crystallization kinetics between amorphous GaSb deposited in thin film form by sputtering and that prepared by laser melt quenching may be related to the relative location of the glass transition temperature of the latter in the pressure-temperature (P-T) space with respect to the location of the critical point that terminate the LDA ↔ HDA transition. The amorphous →β-Sn phase transition is found to be hysteretically reversible as the β-Sn phase undergoes decompressive amorphization near ∼2 GPa due to the lattice instabilities that give rise to density fluctuations in the crystal upon decompression.

Nature of metastable amorphous-to-crystalline reversible phase transformations in GaSb

Science.gov (United States)

Kalkan, B.; Edwards, T. G.; Raoux, S.; Sen, S.

2013-08-01

The structural, thermodynamic, and kinetic aspects of the transformations between the metastable amorphous and crystalline phases of GaSb are investigated as a function of pressure at ambient temperature using synchrotron x-ray diffraction experiments in a diamond anvil cell. The results are consistent with the hypothesis that the pressure induced crystallization of amorphous GaSb into the β-Sn crystal structure near ˜5 GPa is possibly a manifestation of an underlying polyamorphic phase transition between a semiconducting, low density and a metallic, high density amorphous (LDA and HDA, respectively) phases. In this scenario, the large differences in the thermal crystallization kinetics between amorphous GaSb deposited in thin film form by sputtering and that prepared by laser melt quenching may be related to the relative location of the glass transition temperature of the latter in the pressure-temperature (P-T) space with respect to the location of the critical point that terminate the LDA ↔ HDA transition. The amorphous → β-Sn phase transition is found to be hysteretically reversible as the β-Sn phase undergoes decompressive amorphization near ˜2 GPa due to the lattice instabilities that give rise to density fluctuations in the crystal upon decompression.

Nature of metastable amorphous-to-crystalline reversible phase transformations in GaSb

International Nuclear Information System (INIS)

Kalkan, B.; Edwards, T. G.; Sen, S.; Raoux, S.

2013-01-01

The structural, thermodynamic, and kinetic aspects of the transformations between the metastable amorphous and crystalline phases of GaSb are investigated as a function of pressure at ambient temperature using synchrotron x-ray diffraction experiments in a diamond anvil cell. The results are consistent with the hypothesis that the pressure induced crystallization of amorphous GaSb into the β-Sn crystal structure near ∼5 GPa is possibly a manifestation of an underlying polyamorphic phase transition between a semiconducting, low density and a metallic, high density amorphous (LDA and HDA, respectively) phases. In this scenario, the large differences in the thermal crystallization kinetics between amorphous GaSb deposited in thin film form by sputtering and that prepared by laser melt quenching may be related to the relative location of the glass transition temperature of the latter in the pressure-temperature (P-T) space with respect to the location of the critical point that terminate the LDA ↔ HDA transition. The amorphous →β-Sn phase transition is found to be hysteretically reversible as the β-Sn phase undergoes decompressive amorphization near ∼2 GPa due to the lattice instabilities that give rise to density fluctuations in the crystal upon decompression

Crystalline Ultrastructures, Inflammatory Elements, and Neoangiogenesis Are Present in Inconspicuous Aortic Valve Tissue

Directory of Open Access Journals (Sweden)

P. Dorfmüller

2010-01-01

Full Text Available Morbidity from calcific aortic valve disease (CAVD is increasing. Recent studies suggest early reversible changes involving inflammation and neoangiogenesis. We hypothesized that microcalcifications, chemokines, and growth factors are present in unaffected regions of calcific aortic valves. We studied aortic valves from 4 patients with CAVD and from 1 control, using immunohistochemistry, scanning electron microscopy, and infrared spectrography. We revealed clusters of capillary neovessels in calcified (ECC, to a lesser extent in noncalcified (ECN areas. Endothelial cells proved constant expression of SDF-1 in ECC, ECN, and endothelial cells from valvular surface (ECS. Its receptor CXCR4 was expressed in ECC. IL-6 expression correlated with CXCR4 staining and presence of lymphocytes. VEGF was expressed by ECS, its receptor by ECC and ECN. Crystalline ultrastructures were found on the surface of histologically noncalcified areas (HNCAs, spectrography revealed calcium hydroxylapatite. Our results demonstrate that crystalline ultrastructures are present in HNCAs, undergoing neoangiogenesis in an inflammatory context. These alterations could be an early witness of disease and an opening to therapy.

Crystalline color superconductivity

International Nuclear Information System (INIS)

Alford, Mark; Bowers, Jeffrey A.; Rajagopal, Krishna

2001-01-01

In any context in which color superconductivity arises in nature, it is likely to involve pairing between species of quarks with differing chemical potentials. For suitable values of the differences between chemical potentials, Cooper pairs with nonzero total momentum are favored, as was first realized by Larkin, Ovchinnikov, Fulde, and Ferrell (LOFF). Condensates of this sort spontaneously break translational and rotational invariance, leading to gaps which vary periodically in a crystalline pattern. Unlike the original LOFF state, these crystalline quark matter condensates include both spin-zero and spin-one Cooper pairs. We explore the range of parameters for which crystalline color superconductivity arises in the QCD phase diagram. If in some shell within the quark matter core of a neutron star (or within a strange quark star) the quark number densities are such that crystalline color superconductivity arises, rotational vortices may be pinned in this shell, making it a locus for glitch phenomena

Unraveling Crystalline Structure of High-Pressure Phase of Silicon Carbonate

Directory of Open Access Journals (Sweden)

Rulong Zhou

2014-03-01

Full Text Available Although CO_{2} and SiO_{2} both belong to group-IV oxides, they exhibit remarkably different bonding characteristics and phase behavior at ambient conditions. At room temperature, CO_{2} is a gas, whereas SiO_{2} is a covalent solid with rich polymorphs. A recent successful synthesis of the silicon-carbonate solid from the reaction between CO_{2} and SiO_{2} under high pressure [M. Santoro et al., Proc. Natl. Acad. Sci. U.S.A. 108, 7689 (2011] has resolved a long-standing puzzle regarding whether a Si_{x}C_{1−x}O_{2} compound between CO_{2} and SiO_{2} exists in nature. Nevertheless, the detailed atomic structure of the Si_{x}C_{1−x}O_{2} crystal is still unknown. Here, we report an extensive search for the high-pressure crystalline structures of the Si_{x}C_{1−x}O_{2} compound with various stoichiometric ratios (SiO_{2}:CO_{2} using an evolutionary algorithm. Based on the low-enthalpy structures obtained for each given stoichiometric ratio, several generic structural features and bonding characteristics of Si and C in the high-pressure phases are identified. The computed formation enthalpies show that the SiC_{2}O_{6} compound with a multislab three-dimensional (3D structure is energetically the most favorable at 20 GPa. Hence, a stable crystalline structure of the elusive Si_{x}C_{1−x}O_{2} compound under high pressure is predicted and awaiting future experimental confirmation. The SiC_{2}O_{6} crystal is an insulator with elastic constants comparable to typical hard solids, and it possesses nearly isotropic tensile strength as well as extremely low shear strength in the 2D plane, suggesting that the multislab 3D crystal is a promising solid lubricant. These valuable mechanical and electronic properties endow the SiC_{2}O_{6} crystal for potential applications in tribology and nanoelectronic devices, or as a stable solid-state form for CO_{2} sequestration.

Spectral descriptors for bulk metallic glasses based on the thermodynamics of competing crystalline phases

OpenAIRE

Perim, Eric; Lee, Dongwoo; Liu, Yanhui; Toher, Cormac; Gong, Pan; Li, Yanglin; Simmons, W. Neal; Levy, Ohad; Vlassak, Joost J.; Schroers, Jan; Curtarolo, Stefano

2016-01-01

Metallic glasses have attracted considerable interest in recent years due to their unique combination of superb properties and processability. Predicting bulk metallic glass formers from known parameters remains a challenge and the search for new systems is still performed by trial and error. It has been speculated that some sort of "confusion" during crystallization of the crystalline phases competing with glass formation could play a key role. Here, we propose a heuristic descriptor quantif...

77 FR 35425 - Crystalline Silicon Photovoltaic Cells and Modules From China; Scheduling of the Final Phase of...

Science.gov (United States)

2012-06-13

... Silicon Photovoltaic Cells and Modules From China; Scheduling of the Final Phase of Countervailing Duty... silicon photovoltaic cells and modules, provided for in subheadings 8501.31.80, 8501.61.00, 8507.20.80... photovoltaic cells, and modules, laminates, and panels, consisting of crystalline silicon photovoltaic cells...

Crystalline phase control and growth selectivity of β-MnO{sub 2} thin films by remote plasma assisted pulsed laser deposition

Energy Technology Data Exchange (ETDEWEB)

Abi-Akl, M.; Tabbal, M., E-mail: malek.tabbal@aub.edu.lb; Kassem, W.

2016-08-01

In this paper, we exploit the effect of coupling an oxygen remote plasma source to Pulsed Laser Deposition (PLD) for the growth of pure and well crystallized β-MnO{sub 2} films. Films were grown on Si substrates by laser ablation of a MnO target in oxygen ambient and remote plasma. X-Ray Diffraction, Fourier Transform Infra-Red spectroscopy and Raman scattering were used to determine the crystalline structure and bonding in the grown layers, whereas Atomic Force Microscopy was used to study their morphology and surface roughness. Deposition at 500 °C and high oxygen pressure (33.3–66.6 Pa) resulted in the formation of films with roughness of 12 nm consisting of nsutite γ-MnO{sub 2}, a structure characterized by the intergrowth of the pyrolusite β-MnO{sub 2} in a ramsdellite R-MnO{sub 2} matrix. Deposition at the same temperature but low pressure (1.33–3.33 Pa) in oxygen ambient lead to the formation of Mn{sub 2}O{sub 3} whereas plasma activation within the same pressure range induced the growth of single phase highly crystalline β-MnO{sub 2} having smooth surfaces with a roughness value of 0.6 nm. Such results underline the capability of remote plasma assisted PLD in selecting and controlling the crystalline phase of manganese oxide layers. - Highlights: • MnO{sub 2} films were grown by Remote Plasma Assisted Pulsed Laser Deposition. • Crystalline MnO{sub 2} is formed at a substrate temperature of 500 °C. • Smooth crystalline single phase β-MnO{sub 2} films were obtained at 1.33–3.33 Pa. • Deposition at 1.33–3.33 Pa without plasma activation lead to the growth of Mn{sub 2}O{sub 3}. • Without plasma, mixed phases of MnO{sub 2} polymorphs are obtained at 33.3 Pa and above.

Study of crystalline morphology and phase structure in poly(styrene-b-ethylene oxide-b-styrene) triblock copolymers bu solid state RMN spin diffusion

International Nuclear Information System (INIS)

Mantovani, Gerson L.; Phan, Trang; Bertin, Denis; Azevedo, Eduardo R. de; Bonagamba, Tito J.

2009-01-01

The phase structure and crystalline morphology of a series of polystyrene-b-polyethylene oxide-b-polystyrene (PS-b- PEO-b-PS) triblock copolymers, with different compositions and molecular weights, has been studied by solid-state NMR. WAXS and DSC measurements were used to detect the presence of crystalline domains of polyethylene oxide (PEO) blocks at room temperature as a function of the copolymer composition. 1 H NMR spin diffusion analyses provided an estimation of the size of the dispersed phases of the nano structured copolymers. (author)

Crystalline to amorphous transformation in silicon

International Nuclear Information System (INIS)

Cheruvu, S.M.

1982-09-01

In the present investigation, an attempt was made to understand the fundamental mechanism of crystalline-to-amorphous transformation in arsenic implanted silicon using high resolution electron microscopy. A comparison of the gradual disappearance of simulated lattice fringes with increasing Frenkel pair concentration with the experimental observation of sharp interfaces between crystalline and amorphous regions was carried out leading to the conclusion that when the defect concentration reaches a critical value, the crystal does relax to an amorphous state. Optical diffraction experiments using atomic models also supported this hypothesis. Both crystalline and amorphous zones were found to co-exist with sharp interfaces at the atomic level. Growth of the amorphous fraction depends on the temperature, dose rate and the mass of the implanted ion. Preliminary results of high energy electron irradiation experiments at 1.2 MeV also suggested that clustering of point defects occurs near room temperature. An observation in a high resolution image of a small amorphous zone centered at the core of a dislocation is presented as evidence that the nucleation of an amorphous phase is heterogeneous in nature involving clustering or segregation of point defects near existing defects

Improved modeling of two-dimensional transitions in dense phases on crystalline surfaces. Krypton-graphite system.

Science.gov (United States)

Ustinov, E A

2015-02-21

This paper presents a refined technique to describe two-dimensional phase transitions in dense fluids adsorbed on a crystalline surface. Prediction of parameters of 2D liquid-solid equilibrium is known to be an extremely challenging problem, which is mainly due to a small difference in thermodynamic functions of coexisting phases and lack of accuracy of numerical experiments in case of their high density. This is a serious limitation of various attempts to circumvent this problem. To improve this situation, a new methodology based on the kinetic Monte Carlo method was applied. The methodology involves analysis of equilibrium gas-liquid and gas-solid systems undergoing an external potential, which allows gradual shifting parameters of the phase coexistence. The interrelation of the chemical potential and tangential pressure for each system is then treated with the Gibbs-Duhem equation to obtain the point of intersection corresponding to the liquid/solid-solid equilibrium coexistence. The methodology is demonstrated on the krypton-graphite system below and above the 2D critical temperature. Using experimental data on the liquid-solid and the commensurate-incommensurate transitions in the krypton monolayer derived from adsorption isotherms, the Kr-graphite Lennard-Jones parameters have been corrected resulting in a higher periodic potential modulation.

Structure and chemical durability of barium borosilicate glass–ceramics containing zirconolite and titanite crystalline phases

International Nuclear Information System (INIS)

Li, Huidong; Wu, Lang; Xu, Dong; Wang, Xin; Teng, Yuancheng; Li, Yuxiang

2015-01-01

In order to increase the solubility of actinides in the glass matrix, the effects of CaO, TiO 2 , and ZrSiO 4 addition (abbreviated as CTZ, in the mole ratio of 2:2:1) on crystalline phases, microstructure, and chemical durability of barium borosilicate glass–ceramics were investigated. The results show that the samples possess both zirconolite-2M and titanite phase when the CTZ content is greater than or equal to 45 wt.%. For the glass–ceramics with 45 wt.% CTZ (CTZ-45), only zirconolite-2M phase is observed after annealing at 680–740 °C for 2 h. The CTZ-45 possess zirconolite-2M and titanite phases after annealing at 700 °C first, and then annealing at 900–1050 °C for 2 h. Furthermore, the zirconolite-2M and titanite grains show a strip and brick shape, respectively. The CTZ-45 annealing at 950 °C shows the lower normalized leaching rates of B, Na and Nd when compared to that of CTZ-0 and CTZ-55. - Highlights: • CaO, TiO 2 , ZrSiO 4 (CTZ) as nucleating agents were added to barium borosilicate glass. • The samples with 45–55 wt% CTZ possess CaZrTi 2 O 7 -2M and CaTiSiO 5 crystalline phases. • CTZ-45 (45wt% CTZ) possesses only CaZrTi 2 O 7 -2M phase after annealing at 680–740 °C. • CTZ-45 possesses CaZrTi 2 O 7 -2M and CaTiSiO 5 phases after annealing at 900–1050 °C. • CTZ-45 annealing at 950 °C shows the lower leaching rates of B, Na and Nd than CTZ-0 and CTZ-55.

A method for the quantitative determination of crystalline phases by X-ray

Science.gov (United States)

Petzenhauser, I.; Jaeger, P.

1988-01-01

A mineral analysis method is described for rapid quantitative determination of crystalline substances in those cases in which the sample is present in pure form or in a mixture of known composition. With this method there is no need for prior chemical analysis.

Reversible electrical resistance switching in GeSbTe thin films : An electrolytic approach without amorphous-crystalline phase-change

NARCIS (Netherlands)

Pandian, Ramanathaswamy; Kooi, Bart J.; Palasantzas, George; De Hosson, Jeff Th. M.; Wouters, DJ; Hong, S; Soss, S; Auciello, O

2008-01-01

Besides the well-known resistance switching originating from the amorphous-crystalline phase-change in GeSbTe thin films, we demonstrate another switching mechanism named 'polarity-dependent resistance (PDR) switching'. 'Me electrical resistance of the film switches between a low- and high-state

Tuning Eu{sup 3+} emission in europium sesquioxide films by changing the crystalline phase

Energy Technology Data Exchange (ETDEWEB)

Mariscal, A., E-mail: antonio.mariscal@csic.es [Laser Processing Group, Instituto de Óptica, CSIC, C/ Serrano 121, 28006 Madrid (Spain); Quesada, A. [Ceramics for Smart Systems Group, Instituto de Cerámica y Vidrio, C/ Kelsen 5, 28049 Madrid (Spain); Camps, I. [Laser Processing Group, Instituto de Óptica, CSIC, C/ Serrano 121, 28006 Madrid (Spain); Palomares, F.J. [Instituto de Ciencia de Materiales de Madrid, C/ Sor Juana Inés de la Cruz 3, 28049 Madrid (Spain); Fernández, J.F. [Ceramics for Smart Systems Group, Instituto de Cerámica y Vidrio, C/ Kelsen 5, 28049 Madrid (Spain); Serna, R. [Laser Processing Group, Instituto de Óptica, CSIC, C/ Serrano 121, 28006 Madrid (Spain)

2016-06-30

Highlights: • PLD production of high quality europium sesquioxide (Eu{sub 2}O{sub 3}) films. • The deposition of Al{sub 2}O{sub 3} capping and/or buffer layers modifies the crystallization for Eu{sub 2}O{sub 3} films upon annealing. • The formation of cubic or monoclinic phases can be favored. • Eu{sup 3+} emission tuning is achieved as a consequence of crystal field effects. - Abstract: We report the growth of europium sesquioxide (Eu{sub 2}O{sub 3}) thin films by pulsed laser deposition (PLD) in vacuum at room temperature from a pure Eu{sub 2}O{sub 3} ceramic bulk target. The films were deposited in different configurations formed by adding capping and/or buffer layers of amorphous aluminum oxide (a-Al{sub 2}O{sub 3}). The optical properties, refractive index and extinction coefficient of the as deposited Eu{sub 2}O{sub 3} layers were obtained. X-ray photoelectron spectroscopy (XPS) measurements were done to assess its chemical composition. Post-deposition annealing was performed at 500 °C and 850 °C in air in order to achieve the formation of crystalline films and to accomplish photoluminescence emission. According to the analysis of X-ray diffraction (XRD) spectra, cubic and monoclinic phases were formed. It is found that the relative amount of the phases is related to the different film configurations, showing that the control over the crystallization phase can be realized by adequately designing the structures. All the films showed photoluminescence emission peaks (under excitation at 355 nm) that are attributed to the intra 4f-transitions of Eu{sup 3+} ions. The emission spectral shape depends on the crystalline phase of the Eu{sub 2}O{sub 3} layer. Specifically, changes in the hypersensitive {sup 5}D{sub 0} → {sup 7}F{sub 2} emission confirm the strong influence of the crystal field effect on the Eu{sup 3+} energy levels.

Vacuum ultraviolet photoabsorption spectroscopy of crystalline and amorphous benzene

DEFF Research Database (Denmark)

Dawes, Anita; Pascual, Natalia; Hoffmann, Soren V.

2017-01-01

We present the first high resolution vacuum ultraviolet photoabsorption study of amorphous benzene with com parisons to annealed crystalline benzene and the gas phase. Vapour deposited benzene layers w ere grow n at 25 K and annealed to 90 K under conditions pertinent to interstellaricy dust grains...

Solvation Dynamics in Different Phases of the Lyotropic Liquid Crystalline System.

Science.gov (United States)

Roy, Bibhisan; Satpathi, Sagar; Gavvala, Krishna; Koninti, Raj Kumar; Hazra, Partha

2015-09-03

Reverse hexagonal (HII) liquid crystalline material based on glycerol monooleate (GMO) is considered as a potential carrier for drugs and other important biomolecules due to its thermotropic phase change and excellent morphology. In this work, the dynamics of encapsulated water, which plays important role in stabilization and formation of reverse hexagonal mesophase, has been investigated by time dependent Stokes shift method using Coumarin-343 as a solvation probe. The formation of the reverse hexagonal mesophase (HII) and transformation to the L2 phase have been monitored using small-angle X-ray scattering and polarized light microscopy experiments. REES studies suggest the existence of different polar regions in both HII and L2 systems. The solvation dynamics study inside the reverse hexagonal (HII) phase reveals the existence of two different types of water molecules exhibiting dynamics on a 120-900 ps time scale. The estimated diffusion coefficients of both types of water molecules obtained from the observed dynamics are in good agreement with the measured diffusion coefficient collected from the NMR study. The calculated activation energy is found to be 2.05 kcal/mol, which is associated with coupled rotational-translational water relaxation dynamics upon the transition from "bound" to "quasi-free" state. The observed ∼2 ns faster dynamics of the L2 phase compared to the HII phase may be associated with both the phase transformation as well as thermotropic effect on the relaxation process. Microviscosities calculated from time-resolved anisotropy studies infer that the interface is almost ∼22 times higher viscous than the central part of the cylinder. Overall, our results reveal the unique dynamical features of water inside the cylinder of reverse hexagonal and inverse micellar phases.

Coarse-grained electrostatic interactions of coronene: Towards the crystalline phase

Energy Technology Data Exchange (ETDEWEB)

Heinemann, Thomas, E-mail: thomas.heinemann@tu-berlin.de; Klapp, Sabine H. L., E-mail: klapp@physik.tu-berlin.de [Institut für Theoretische Physik, Technische Universität Berlin, Hardenbergstr. 36, 10623 Berlin (Germany); Palczynski, Karol, E-mail: karol.palczynski@helmholtz-berlin.de; Dzubiella, Joachim, E-mail: joachim.dzubiella@helmholtz-berlin.de [Institut für Physik, Humboldt Universität zu Berlin, Newtonstraße 15, 12489 Berlin (Germany); Institut für Weiche Materie und Funktionale Materialen, Helmholtz-Zentrum Berlin für Materialien und Energie, Hahn-Meitner Platz 1, 14109 Berlin (Germany)

2015-11-07

In this article, we present and compare two different, coarse-grained approaches to model electrostatic interactions of disc-shaped aromatic molecules, specifically coronene. Our study builds on our previous work [T. Heinemann et al., J. Chem. Phys. 141, 214110 (2014)], where we proposed, based on a systematic coarse-graining procedure starting from the atomistic level, an anisotropic effective (Gay-Berne-like) potential capable of describing van der Waals contributions to the interaction energy. To take into account electrostatics, we introduce, first, a linear quadrupole moment along the symmetry axis of the coronene disc. The second approach takes into account the fact that the partial charges within the molecules are distributed in a ring-like fashion. We then reparametrize the effective Gay-Berne-like potential such that it matches, at short distances, the ring-ring potential. To investigate the validity of these two approaches, we perform many-particle molecular dynamics simulations, focusing on the crystalline phase (karpatite) where electrostatic interaction effects are expected to be particularly relevant for the formation of tilted stacked columns. Specifically, we investigate various structural parameters as well as the melting transition. We find that the second approach yields consistent results with those from experiments despite the fact that the underlying potential decays with the wrong distance dependence at large molecule separations. Our strategy can be transferred to a broader class of molecules, such as benzene or hexabenzocoronene.

Coarse-grained electrostatic interactions of coronene: Towards the crystalline phase

International Nuclear Information System (INIS)

Heinemann, Thomas; Klapp, Sabine H. L.; Palczynski, Karol; Dzubiella, Joachim

2015-01-01

In this article, we present and compare two different, coarse-grained approaches to model electrostatic interactions of disc-shaped aromatic molecules, specifically coronene. Our study builds on our previous work [T. Heinemann et al., J. Chem. Phys. 141, 214110 (2014)], where we proposed, based on a systematic coarse-graining procedure starting from the atomistic level, an anisotropic effective (Gay-Berne-like) potential capable of describing van der Waals contributions to the interaction energy. To take into account electrostatics, we introduce, first, a linear quadrupole moment along the symmetry axis of the coronene disc. The second approach takes into account the fact that the partial charges within the molecules are distributed in a ring-like fashion. We then reparametrize the effective Gay-Berne-like potential such that it matches, at short distances, the ring-ring potential. To investigate the validity of these two approaches, we perform many-particle molecular dynamics simulations, focusing on the crystalline phase (karpatite) where electrostatic interaction effects are expected to be particularly relevant for the formation of tilted stacked columns. Specifically, we investigate various structural parameters as well as the melting transition. We find that the second approach yields consistent results with those from experiments despite the fact that the underlying potential decays with the wrong distance dependence at large molecule separations. Our strategy can be transferred to a broader class of molecules, such as benzene or hexabenzocoronene

Irradiation induced crystalline to amorphous transition

International Nuclear Information System (INIS)

Bourgoin, J.

1980-01-01

Irradiation of a crystalline solid with energetic heavy particles results in cascades of defects which, with increasing dose, overlap and form a continuous disordered layer. In semiconductors the physical properties of such disordered layers are found to be similar to those of amorphous layers produced by evaporation. It is shown in the case of silicon, that the transition from a disordered crystalline (X) layer to an amorphous (α) layer occurs when the Gibbs energy of the X phase and of the defects it contains becomes larger than the Gibbs energy of the α phase. (author)

Application of thermodynamics to silicate crystalline solutions

Science.gov (United States)

Saxena, S. K.

1972-01-01

A review of thermodynamic relations is presented, describing Guggenheim's regular solution models, the simple mixture, the zeroth approximation, and the quasi-chemical model. The possibilities of retrieving useful thermodynamic quantities from phase equilibrium studies are discussed. Such quantities include the activity-composition relations and the free energy of mixing in crystalline solutions. Theory and results of the study of partitioning of elements in coexisting minerals are briefly reviewed. A thermodynamic study of the intercrystalline and intracrystalline ion exchange relations gives useful information on the thermodynamic behavior of the crystalline solutions involved. Such information is necessary for the solution of most petrogenic problems and for geothermometry. Thermodynamic quantities for tungstates (CaWO4-SrWO4) are calculated.

The evolution of strength and crystalline phases for alkali-activated ground blast furnace slag and fly ash-based geopolymers

KAUST Repository

Oh, Jae Eun; Monteiro, Paulo J.M.; Jun, Ssang Sun; Choi, Sejin; Clark, Simon M.

2010-01-01

The increase in strength and evolution of crystalline phases in inorganic polymer cement, made by the alkali activation of slag, Class C and Class F fly ashes, was followed using compressive strength test and synchrotron X-ray diffraction. In order

Effects of stoichiometry on the transport properties of crystalline phase-change materials.

Science.gov (United States)

Zhang, Wei; Wuttig, Matthias; Mazzarello, Riccardo

2015-09-03

It has recently been shown that a metal-insulator transition due to disorder occurs in the crystalline state of the GeSb2Te4 phase-change compound. The transition is triggered by the ordering of the vacancies upon thermal annealing. In this work, we investigate the localization properties of the electronic states in selected crystalline (GeTe)x-(Sb2Te3)y compounds with varying GeTe content by large-scale density functional theory simulations. In our models, we also include excess vacancies, which are needed to account for the large carrier concentrations determined experimentally. We show that the models containing a high concentration of stoichiometric vacancies possess states at the Fermi energy localized inside vacancy clusters, as occurs for GeSb2Te4. On the other hand, the GeTe-rich models display metallic behavior, which stems from two facts: a) the tail of localized states shrinks due to the low probability of having sizable vacancy clusters, b) the excess vacancies shift the Fermi energy to the region of extended states. Hence, a stoichiometry-controlled metal-insulator transition occurs. In addition, we show that the localization properties obtained by scalar-relativistic calculations with gradient-corrected functionals are unaffected by the inclusion of spin-orbit coupling or the use of hybrid functionals.

Computer-learning methods in forecasting crystalline phases in ternary systems containing group V elements

Energy Technology Data Exchange (ETDEWEB)

Kiseleva, N.N.; Burkhanov, G.S.

1988-05-01

New ABC compounds have been forecast as having structures of TiNiSi, ZrNiAl, MgAgAs and PbFCl types, while AB/sub 2/C/sub 2/ ones have structures of ThCr/sub 2/Si/sub 2/ and CaAl/sub 2/Si/sub 2/ (C = P, As, Sb, or Bi, while A and B are metals or semimetals). Only the fundamental properties of the elements are used. Cybernetic methods and computer training are effective in forecasting new crystalline phases.

Crystalline oxides on semiconductors: A structural transition of the interface phase

Science.gov (United States)

Walker, F. J.; Buongiorno-Nardelli, Marco; Billman, C. A.; McKee, R. A.

2004-03-01

The growth of crystalline oxides on silicon is facilitated by the preparation of a surface phase of alkaline earth silicide. We describe how the surface phase serves as a precursor of the final interface phase using reflection high energy electron diffraction (RHEED) and density functional theory (DFT). RHEED intensity oscillations of the growth of BaSrO show layer-by-layer build up of the oxide on the interface. The 2x1 symmetry of the surface precursor persists up to 3 ML BaSrO coverage at which point a 1x1 pattern characteristic of the rock-salt structure of BaSrO is observed. Prior to 3 ML growth of alkaline earth oxide, DFT calculations and RHEED show that the surface precursor persists as the interface phase and induces large displacements in the growing oxide layer away from the rock-salt structure and having a 2x1 symmetry. These distortions of the rock-salt structure are energetically unfavorable and become more unfavorable as the oxide thickness increases. At 3 ML, the stability of the rock-salt structure drives a structural transformation of the film and the interface phase to a structure that is distinct from the surface precursor. Research sponsored jointly by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy at Oak Ridge National Laboratory under contract DE-AC05-00OR22725 with UT-Battelle, LLC and at the University of Tennessee under contract DE-FG02-01ER45937. Calculations have been performed on CCS supercomputers at Oak Ridge National Laboratory.

Deformation-induced amorphization of crystalline particles in a Cu-Ti metallic glass

International Nuclear Information System (INIS)

Kamentzky, E.A.; Askenazy, P.D.; Johnson, W.L.; Tanner, L.E.

1987-01-01

Crystalline particles and grains embedded in Cu 35 Ti 65 glass ribbons have been amorphized by isothermal cold rolling. The structural evolution has been studied by X-ray diffraction and TEM techniques. Initial particle morphologies are spherulitic and spherical, the latter with sizes ranging between 10 and 100 nm. The new amorphous phase seems to nucleate at crystalline-amorphous matrix interfaces. Initially there is a well defined interface between the new and the existing amorphous phases but it disappears as rolling progresses. Crystallites on a nanoscale still present in the final stages of particle amorphization have been observed by convergent beam electron diffraction. After sufficient deformation the consolidated ribbon becomes a completely glassy. A morphological description of the transformation process in terms of crystal destabilization and solid- state particle melting is presented

The quest for crystalline ion beams

CERN Document Server

Schramm, U; Bussmann, M; Habs, D

2002-01-01

The phase transition of an ion beam into its crystalline state has long been expected to dramatically influence beam dynamics beyond the limitations of standard accelerator physics. Yet, although considerable improvement in beam cooling techniques has been made, strong heating mechanisms inherent to existing high-energy storage rings have prohibited the formation of the crystalline state in these machines up to now. Only recently, laser cooling of low-energy beams in the table-top rf quadrupole storage ring PAaul Laser cooLing Acceleration System (PALLAS) has lead to the experimental realization of crystalline beams. In this article, the quest for crystalline beams as well as their unique properties as experienced in PALLAS will be reviewed.

Morphology and crystalline-phase-dependent electrical insulating properties in tailored polypropylene for HVDC cables

Science.gov (United States)

Zha, Jun-Wei; Yan, Hong-Da; Li, Wei-Kang; Dang, Zhi-Min

2016-11-01

Polypropylene (PP) has become one promising material to potentially replace the cross-link polyethylene used for high voltage direct current cables. Besides the isotactic polypropylene, the block polypropylene (b-PP) and random polypropylene (r-PP) can be synthesized through the copolymerization of ethylene and propylene molecules. In this letter, the effect of morphology and crystalline phases on the insulating electrical properties of PP was investigated. It was found that the introduction of polyethylene monomer resulted in the formation of β and γ phases in b-PP and r-PP. The results from the characteristic trap energy levels indicated that the β and γ phases could induce deep electron traps which enable to capture the carriers. And the space charge accumulation was obviously suppressed. Besides, the decreased electrical conductivity was observed in b-PP and r-PP. It is attributed to the existence of deep traps which can effectively reduce the carrier mobility and density in materials.

An integrated approach to isotopic study of crystalline rock for a high-level waste repository: Area phase

International Nuclear Information System (INIS)

Gilbert, L.A.

1986-01-01

An integrated approach to assessing isotopic systems in crystalline rock is planned for area phase studies. This approach combines radiogenic isotope systems with petrography in order to characterize potential crystalline repository media. The coeval use of selected isotope systems will minimize the limitations of each method and provide intensive parameters yielding data on alteration timing, secondary mineral formation, temperature history, and radionuclide species migration. Isotope systems will be selected in order to measure differences in sensitivity to thermal disturbances and mobility due to fluid interaction. Comparative evaluation of isotope pair behavior may be used in combination with mineral versus whole-rock dates to provide data on heating and mobilization of alkali elements, lanthanides, and gases, caused by future introduction of waste

Crystalline phases and electronic structures in superconducting Bi endash Sr endash Ca endash Cu oxides

International Nuclear Information System (INIS)

Giardina, M.D.; Feduzi, R.; Inzaghi, D.; Manara, A.; Giori, C.; Sora, I.N.; Dallacasa, V.

1997-01-01

Two classes of samples, designated A and B, of layered Bi endash Sr endash Ca endash Cu oxides having the same nominal composition 4:3:3:4, but different thermal histories, were investigated by using field modulated microwave absorption (ESR), powder x-ray diffraction (XRD), x-ray photoelectron spectroscopy (XPS), and x-ray absorption near the edge structure (XANES). Previous electrical resistivity measurements showed that the B samples only presented two superconducting phases with midpoints of the transition temperatures at ∼80K and ∼105K. The microwave absorption technique indicated instead the presence of islands which became superconducting at the above-mentioned temperatures also in the A samples. The crystalline and electronic structures of the two types of samples are illustrated and discussed. A plausible theoretical interpretation of the experimental results, based on a quantum percolation model with Coulomb interaction, is also given. copyright 1997 Materials Research Society

Identification of the hydrate gel phases present in phosphate-modified calcium aluminate binders

Energy Technology Data Exchange (ETDEWEB)

Chavda, Mehul A.; Bernal, Susan A. [Department of Materials Science and Engineering, The University of Sheffield, Sheffield S1 3JD (United Kingdom); Apperley, David C. [Solid-State NMR Group, Department of Chemistry, Durham University, Durham DH1 3LE (United Kingdom); Kinoshita, Hajime [Department of Materials Science and Engineering, The University of Sheffield, Sheffield S1 3JD (United Kingdom); Provis, John L., E-mail: j.provis@sheffield.ac.uk [Department of Materials Science and Engineering, The University of Sheffield, Sheffield S1 3JD (United Kingdom)

2015-04-15

The conversion of hexagonal calcium aluminate hydrates to cubic phases in hydrated calcium aluminate cements (CAC) can involve undesirable porosity changes and loss of strength. Modification of CAC by phosphate addition avoids conversion, by altering the nature of the reaction products, yielding a stable amorphous gel instead of the usual crystalline hydrate products. Here, details of the environments of aluminium and phosphorus in this gel were elucidated using solid-state NMR and complementary techniques. Aluminium is identified in both octahedral and tetrahedral coordination states, and phosphorus is present in hydrous environments with varying, but mostly low, degrees of crosslinking. A {sup 31}P/{sup 27}Al rotational echo adiabatic passage double resonance (REAPDOR) experiment showed the existence of aluminium–phosphorus interactions, confirming the formation of a hydrated calcium aluminophosphate gel as a key component of the binding phase. This resolves previous disagreements in the literature regarding the nature of the disordered products forming in this system.

Hydrothermal transformation of titanate nanotubes into single-crystalline TiO2 nanomaterials with controlled phase composition and morphology

International Nuclear Information System (INIS)

Xu, Yuanmei; Fang, Xiaoming; Xiong, Jian; Zhang, Zhengguo

2010-01-01

Single-crystalline TiO 2 nanomaterials were synthesized by hydrothermally treating suspensions of H-titanate nanotubes and characterized by XRD, TEM, and HRTEM. The effects of the pH values of the suspensions and the hydrothermal temperatures on the phase composition and morphology of the obtained TiO 2 nanomaterials were systematically investigated. The H-titanate nanotubes were predominately transformed into anatase nanoparticle with rhombic shape when the pH value was greater than or equal to 1.0, whereas primarily turned into rutile nanorod with two pyramidal ends at the pH value less than or equal to 0.5. We propose a possible mechanism for hydrothermal transformation of H-titanate nanotubes into single-crystalline TiO 2 nanomaterials. While the H-titanate nanotubes transform into tiny anatase nanocrystallites of ca. 3 nm in size, the formed nanocrystallites as an intermediate grow into the TiO 2 nanomaterials with controlled phase composition and morphology. This growth process involves the steps of protonation, oriented attachment, and Ostwald ripening.

Crystalline and amorphous phases in carbon nitride films produced by intense high-pressure plasma

International Nuclear Information System (INIS)

Gurarie, V.N.; Orlov, A.V.; Bursill, L.A.; JuLin, P.; Nugent, K.W.; Chon, J.W.; Prawer, S.

1997-01-01

Carbon-nitride films are prepared using a high-intensity pulsed plasma deposition technique. A wide range of nitrogen pressure and discharge intensity are used to investigate their effect on the morphology, nitrogen content, structure, bonding, phase composition and mechanical characteristics of the CN films deposited. Increasing the nitrogen pressure from 0.1 atm to 10 atm results in an increase of nitrogen incorporation into CN films to maximum of 45 at %. Under the high-energy density deposition conditions which involve ablation of the quartz substrate the CN films are found to incorporate in excess of 60 at %N. Raman spectra of these films contain sharp peaks characteristic of a distinct crystalline CN phase. TEM diffraction patterns for the films deposited below 1 atm unambiguously show the presence of micron-sized crystals displaying a cubic symmetry. (authors)

Thermodynamics of Crystalline States

CERN Document Server

Fujimoto, Minoru

2013-01-01

Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium with the surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattice, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. New to this edition is the examination of magnetic crystals, where magnetic symmetry is essential for magnetic phase transitions. The multi-electron system is also discussed  theoretically, as a quantum-mechanical example, for superconductivity in metallic crystals. Throughout the book, the role played by the lattice is emphasized and studied in-depth. Thermod...

Thermal behavior for a nanoscale two ferromagnetic phase system based on random anisotropy model

International Nuclear Information System (INIS)

Muraca, D.; Sanchez, F.H.; Pampillo, L.G.; Saccone, F.D.

2010-01-01

Advances in theory that explain the magnetic behavior as function of temperature for two phase nanocrystalline soft magnetic materials are presented. The theory developed is based on the well known random anisotropy model, which includes the crystalline exchange stiffness and anisotropy energies in both amorphous and crystalline phases. The phenomenological behavior of the coercivity was obtained in the temperature range between the amorphous phase Curie temperature and the crystalline phase one.

Nonlinear optics of liquid crystalline materials

International Nuclear Information System (INIS)

Khoo, Iam Choon

2009-01-01

Liquid crystals occupy an important niche in nonlinear optics as a result of their unique physical and optical properties. Besides their broadband birefringence and transparency, abilities to self-assemble into various crystalline phases and to conform to various flexible forms and shapes, liquid crystals are compatible with almost all other optoelectronic materials and technology platforms. In both isotropic and ordered phases, liquid crystals possess extraordinarily large optical nonlinearities that stretch over multiple time scales. To date, almost all conceivable nonlinear optical phenomena have been observed in a very broad spectrum spanning the entire visible to infrared and beyond. In this review, we present a self-contained complete discussion of the optical nonlinearities of liquid crystals, and a thorough review of a wide range of nonlinear optical processes and phenomena enabled by these unique properties. Starting with a brief historical account of the development of nonlinear optical studies of the mesophases of liquid crystals, we then review various liquid crystalline materials and structures, and their nonlinear optical properties. Emphasis is placed on the nematic phase, which best exemplifies the dual nature of liquid crystals, although frequent references to other phases are also made. We also delve into recent work on novel structures such as photonic crystals, metamaterials and nanostructures and their special characteristics and emergent properties. The mechanisms and complex nonlocal dynamics of optical nonlinearities associated with laser induced director axis reorientation, thermal, density, and order parameter fluctuations, space charge field formation and photorefractivity are critically reviewed as a foundation for the discussions of various nonlinear optical processes detailed in this paper

Discrete time-crystalline order in black diamond

Science.gov (United States)

Zhou, Hengyun; Choi, Soonwon; Choi, Joonhee; Landig, Renate; Kucsko, Georg; Isoya, Junichi; Jelezko, Fedor; Onoda, Shinobu; Sumiya, Hitoshi; Khemani, Vedika; von Keyserlingk, Curt; Yao, Norman; Demler, Eugene; Lukin, Mikhail D.

2017-04-01

The interplay of periodic driving, disorder, and strong interactions has recently been predicted to result in exotic ``time-crystalline'' phases, which spontaneously break the discrete time-translation symmetry of the underlying drive. Here, we report the experimental observation of such discrete time-crystalline order in a driven, disordered ensemble of 106 dipolar spin impurities in diamond at room-temperature. We observe long-lived temporal correlations at integer multiples of the fundamental driving period, experimentally identify the phase boundary and find that the temporal order is protected by strong interactions; this order is remarkably stable against perturbations, even in the presence of slow thermalization. Our work opens the door to exploring dynamical phases of matter and controlling interacting, disordered many-body systems.

Technology needs for selecting and evaluating high-level waste repository sites in crystalline rock

International Nuclear Information System (INIS)

1988-12-01

This report describes properties and processes that govern the performance of the geological barrier in a nuclear waste isolation system in crystalline rock and the state-of-the-art in the understanding of these properties and processes. Areas and topics that require further research and development as well as technology needs for investigating and selecting repository sites are presented. Experiences from the Swedish site selection program are discussed, and a general investigation strategy is presented for an area characterization phase of an exploratory program in crystalline rocks. 255 refs., 65 figs., 10 tabs

Physicochemical Properties of α-Form Hydrated Crystalline Phase of 3-(10-Carboxydecyl)-1,1,1,3,5,5,5-heptamethyl Trisiloxane/Higher alcohol/Polyoxyethylene (5 mol) Glyceryl monostearate/Water System.

Science.gov (United States)

Uyama, Makoto; Araki, Hidefumi; Fukuhara, Tadao; Watanabe, Kei

2018-06-07

The α-form hydrated crystalline phase (often called as an α-gel) is one of the hydrated crystalline phases which can be exhibited by surfactants and lipids. In this study, a novel system of an α-form hydrated crystal was developed, composed of 3-(10-carboxydecyl)-1,1,1,3,5,5,5-heptamethyl trisiloxane (CDTS), polyoxyethylene (5 mol) glyceryl monostearate (GMS-5), higher alcohol. This is the first report to indicate that a silicone surfactant can form an α-form hydrated crystal. The physicochemical properties of this system were characterized by small and wide angle X-ray scattering (SWAXS), differential scanning calorimetry (DSC), and diffusion-ordered NMR spectroscopy (DOSY) experiments. SWAXS and DSC measurements revealed that a plurality of crystalline phases coexist in the CDTS/higher alcohol/water ternary system. By adding GMS-5 to the ternary system, however, a wide region of a single α-form hydrated crystalline phase was obtained. The self-diffusion coefficients (D sel ) from the NMR measurements suggested that all of the CDTS, GMS-5, and higher alcohol molecules were incorporated into the same α-form hydrated crystals.

Gibbs free-energy difference between the glass and crystalline phases of a Ni-Zr alloy

Science.gov (United States)

Ohsaka, K.; Trinh, E. H.; Holzer, J. C.; Johnson, W. L.

1993-01-01

The heats of eutectic melting and devitrification, and the specific heats of the crystalline, glass, and liquid phases have been measured for a Ni24Zr76 alloy. The data are used to calculate the Gibbs free-energy difference, Delta G(AC), between the real glass and the crystal on an assumption that the liquid-glass transition is second order. The result shows that Delta G(AC) continuously increases as the temperature decreases in contrast to the ideal glass case where Delta G(AC) is assumed to be independent of temperature.

Thermodynamics of Crystalline States

CERN Document Server

Fujimoto, Minoru

2010-01-01

Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattices, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. This book is divided into three parts. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. In the third part, the multi-electron system is discussed theoretically, as a quantum-mechanical example, for the superconducting state in metallic crystals. Throughout the book, the role played by the lattice is emphasized and examined in-depth. Thermodynamics of Crystalline States is an introductory treatise and textbook on meso...

Reversible amorphous-crystalline phase changes in a wide range of Se1-xTex alloys studied using ultrafast differential scanning calorimetry

NARCIS (Netherlands)

Vermeulen, Paul. A.; Momand, Jamo; Kooi, Bart J.

The reversible amorphous-crystalline phase change in a chalcogenide material, specifically the Se1-xTex alloy, has been investigated for the first time using ultrafast differential scanning calorimetry. Heating rates and cooling rates up to 5000 K/s were used. Repeated reversible

Crystalline phase-dependent eco-toxicity of titania nanoparticles to freshwater biofilms

International Nuclear Information System (INIS)

Li, Kun; Qian, Jin; Wang, Peifang; Wang, Chao; Liu, Jingjing; Tian, Xin; Lu, Bianhe; Shen, Mengmeng

2017-01-01

The potential toxic impacts of different crystal phases of titania nanoparticles (TNPs) on freshwater biofilms, especially under ultraviolet C irradiation (UVC), are unknown. Here, adverse impacts of three phases (anatase, rutile, and P25, 50 mg L −1 respectively) with UVC irradiation (An-UV, Ru-UV, and P25-UV) on freshwater biofilms were conducted. Characterization experiments revealed that rutile TNPs had a higher water environment stability than anatase and P25 TNPs, possessing a stronger photocatalytic activity under UVC irradiation. Phase-dependent inhibition of cell viability and significant decreases of four- and five-fold in algal biomass at 12 h of exposure were observed compared with unexposed biofilms. Moreover, phase-dependent oxidative stress resulted in remarkably significant reductions (P < 0.01) of the photosynthetic yields of the biofilms, to 40.32% (P25-UV), 48.39% (An-UV), and 46.77% (Ru-UV) of the plateau value obtained in the unexposed biofilms. A shift in community composition that manifested as a strong reduction in diatoms, indicating cyanobacteria and green algae were more tolerant than diatoms when exposed to TNPs. In terms of the toxic mechanisms, rutile TNPs resulted in apoptosis by inducing excessive intracellular reactive oxygen species (ROS) production, whereas P25 and anatase TNPs tended to catalyze enormous acellular ROS lead to cell necrosis under UVC irradiation. - Highlights: • Phase-dependent response of freshwater biofilms to three TNPs was studied with UVC. • Rutile is more stable yet P25 and anatase own better photooxidation level in water. • Decrease in Chl-a and φM and a shift in algae bio-cenosis were phase-dependent. • Phase-dependent stress induced cellular or acellular ROS to reduce cells viability. • Rutile tend to induced apoptosis yet P25 and anatase prefer to cause cell necrosis. - Crystalline-dependent eco-toxicity of TNPs to freshwater biofilms show allotrope of nanoparticles must be considered

Vapor-phase hydrothermal transformation of HTiOF3 intermediates into {001} faceted anatase single-crystalline nanosheets.

Science.gov (United States)

Liu, Porun; Wang, Yun; Zhang, Haimin; An, Taicheng; Yang, Huagui; Tang, Zhiyong; Cai, Weiping; Zhao, Huijun

2012-12-07

For the first time, a facile, one-pot hydrofluoric acid vapor-phase hydrothermal (HF-VPH) method is demonstrated to directly grow single-crystalline anatase TiO(2) nanosheets with 98.2% of exposed {001} faceted surfaces on the Ti substrate via a distinctive two-stage formation mechanism. The first stage produces a new intermediate crystal (orthorhombic HTiOF(3) ) that is transformed into anatase TiO(2) nanosheets during the second stage. The findings reveal that the HF-VPH reaction environment is unique and differs remarkably from that of liquid-phase hydrothermal processes. The uniqueness of the HF-VPH conditions can be readily used to effectively control the nanostructure growth. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Detachment of CVD-grown graphene from single crystalline Ni films by a pure gas phase reaction

Science.gov (United States)

Zeller, Patrick; Henß, Ann-Kathrin; Weinl, Michael; Diehl, Leo; Keefer, Daniel; Lippmann, Judith; Schulz, Anne; Kraus, Jürgen; Schreck, Matthias; Wintterlin, Joost

2016-11-01

Despite great previous efforts there is still a high need for a simple, clean, and upscalable method for detaching epitaxial graphene from the metal support on which it was grown. We present a method based on a pure gas phase reaction that is free of solvents and polymer supports and avoids mechanical transfer steps. The graphene was grown on 150 nm thick, single crystalline Ni(111) films on Si(111) wafers with YSZ buffer layers. Its quality was monitored by using low energy electron diffraction and scanning tunneling microscopy. The gas phase etching uses a chemical transport reaction, the so-called Mond process, based on the formation of gaseous nickel tetracarbonyl in 1 bar of CO at 75 °C and by adding small amounts of sulfide catalysts. X-ray photoelectron spectroscopy, Raman spectroscopy and scanning electron microscopy were used to characterize the detached graphene. It was found that the method successfully removes the nickel from underneath the graphene layer, so that the graphene lies on the insulating oxide buffer layer. Small residual particles of nickel sulfide and cracks in the obtained graphene layer were identified. The defect concentrations were comparable to graphene samples obtained by wet chemical etching and by the bubbling transfer.

Electrochemical synthesis of self-organized TiO2 crystalline nanotubes without annealing

Science.gov (United States)

Giorgi, Leonardo; Dikonimos, Theodoros; Giorgi, Rossella; Buonocore, Francesco; Faggio, Giuliana; Messina, Giacomo; Lisi, Nicola

2018-03-01

This work demonstrates that upon anodic polarization in an aqueous fluoride-containing electrolyte, TiO2 nanotube array films can be formed with a well-defined crystalline phase, rather than an amorphous one. The crystalline phase was obtained avoiding any high temperature annealing. We studied the formation of nanotubes in an HF/H2O medium and the development of crystalline grains on the nanotube wall, and we found a facile way to achieve crystalline TiO2 nanotube arrays through a one-step anodization. The crystallinity of the film was influenced by the synthesis parameters, and the optimization of the electrolyte composition and anodization conditions (applied voltage and time) were carried out. For comparison purposes, crystalline anatase TiO2 nanotubes were also prepared by thermal treatment of amorphous nanotubes grown in an organic bath (ethylene glycol/NH4F/H2O). The morphology and the crystallinity of the nanotubes were studied by field emission gun-scanning electron microscopy (FEG-SEM) and Raman spectroscopy, whereas the electrochemical and semiconducting properties were analyzed by means of linear sweep voltammetry, impedance spectroscopy, and Mott-Schottky plots. X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS) allowed us to determine the surface composition and the electronic structure of the samples and to correlate them with the electrochemical data. The optimal conditions to achieve a crystalline phase with high donor concentration are defined.

Study of clay chemical composition in formation of new phases in crystalline materials ceramic

International Nuclear Information System (INIS)

Lima, L.K.S.; Goncalves, W.P.; Silva, V.J.; Dias, G.; Neves, G.A.; Santana, L.N.L.

2016-01-01

The knowledge of the characteristics of raw materials and the behavior of these during the heat treatment is crucial before starting any manufacturing process of clay-based products. The objective of this work was to study phase transformations of clay under different heat treatments using conventional oven. To achieve the same were used two clays coming from the municipality of Cubati - PB and kaolin from an industry in the Northeast. The samples were subjected to beneficiation process, crushing, grinding and sieving and further characterized: chemical analysis, particle size, thermal and mineralogical. For heat treatment temperatures employed were 1000, 1100 and 1200 ° C, heating rate 5 ° C / min and residence time of 60min. After this step, the mineralogical characterization was performed by x-ray diffraction technique. Clays with larger particle size fraction below 2um and greater amount of flux oxides showed higher amount of mullite for the temperatures studied. The results also showed nucleation of mullite phase from 1100 °C, a band 2theta in the range of between 20 and 25°, characteristic of amorphous silica and the temperature rise was observed intensification of crystalline phases. (author)

Polyamine structural effects on the induction and stabilization of liquid crystalline DNA: potential applications to DNA packaging, gene therapy and polyamine therapeutics.

Science.gov (United States)

Saminathan, M; Thomas, Thresia; Shirahata, Akira; Pillai, C K S; Thomas, T J

2002-09-01

DNA undergoes condensation, conformational transitions, aggregation and resolubilization in the presence of polyamines, positively charged organic molecules present in all cells. Under carefully controlled environmental conditions, DNA can also transform to a liquid crystalline state in vitro. We undertook the present work to examine the ability of spermidine, N4-methylspermidine, spermine, N1-acetylspermine and a group of tetramine, pentamine and hexamine analogs of spermine to induce and stabilize liquid crystalline DNA. Liquid crystalline textures were identified under a polarizing microscope. In the absence of polyamines, calf thymus DNA assumed a diffused, planar cholesteric phase with entrapped bubbles when incubated on a glass slide at 37 degrees C. In the presence of spermidine and spermine, the characteristic fingerprint textures of the cholesteric phase, adopting a hexagonal order, were obtained. The helical pitch was 2.5 micro m. The final structures were dendrimeric and crystalline when DNA was treated with spermine homologs and bis(ethyl) derivatives. A cholesteric structure was observed when DNA was treated with a hexamine at 37 degrees C. This structure changed to a hexagonal dendrimer with fluidity on prolonged incubation. These data show a structural specificity effect of polyamines on liquid crystalline phase transitions of DNA and suggest a possible physiological function of natural polyamines.

Ferrofluids in liquid crystalline systems

International Nuclear Information System (INIS)

Figueiredo Neto, A.M.; Liebert, L.

1989-08-01

It is a well-known fact that intermediate or mesomorphic phase may exist between the crystalline and the isotropic liquid phases. The symmetry properties of these mesophases are intermediate between those of a crystal and a liquid. In this paper, some aspects of the use of ferrofluids in thermotropic and lyotropic systems are studied both the experimental difficulties as well as the fundamental phypical phenomena involved. (A.C.A.S.) [pt

Vapor-deposited non-crystalline phase vs ordinary glasses and supercooled liquids: Subtle thermodynamic and kinetic differences

International Nuclear Information System (INIS)

Bhattacharya, Deepanjan; Sadtchenko, Vlad

2015-01-01

Vapor deposition of molecules on a substrate often results in glassy materials of high kinetic stability and low enthalpy. The extraordinary properties of such glasses are attributed to high rates of surface diffusion during sample deposition, which makes it possible for constituents to find a configuration of much lower energy on a typical laboratory time scale. However, the exact nature of the resulting phase and the mechanism of its formation are not completely understood. Using fast scanning calorimetry technique, we show that out-of-equilibrium relaxation kinetics and possibly the enthalpy of vapor-deposited films of toluene and ethylbenzene, archetypical fragile glass formers, are distinct from those of ordinary supercooled phase even when the deposition takes place at temperatures above the ordinary glass softening transition temperatures. These observations along with the absolute enthalpy dependences on deposition temperatures support the conjecture that the vapor-deposition may result in formation of non-crystalline phase of unique structural, thermodynamic, and kinetic properties

Crystalline and amorphous carbon nitride films produced by high-energy shock plasma deposition

International Nuclear Information System (INIS)

Bursilll, L.A.; Peng, Julin; Gurarie, V.N.; Orlov, A.V.; Prawer, S.

1995-01-01

High-energy shock plasma deposition techniques are used to produce carbon-nitride films containing both crystalline and amorphous components. The structures are examined by high-resolution transmission electron microscopy, parallel-electron-energy loss spectroscopy and electron diffraction. The crystalline phase appears to be face-centered cubic with unit cell parameter approx. a=0.63nm and it may be stabilized by calcium and oxygen at about 1-2 at % levels. The carbon atoms appear to have both trigonal and tetrahedral bonding for the crystalline phase. There is PEELS evidence that a significant fraction of the nitrogen atoms have sp 2 trigonal bonds in the crystalline phase. The amorphous carbon-nitride film component varies from essentially graphite, containing virtually no nitrogen, to amorphous carbon-nitride containing up to 10 at % N, where the fraction of sp 3 bonds is significant. 15 refs., 5 figs

Fabrication of TiO2 Crystalline Coatings by Combining Ti-6Al-4V Anodic Oxidation and Heat Treatments

Directory of Open Access Journals (Sweden)

María Laura Vera

2015-01-01

Full Text Available The bio- and hemocompatibility of titanium alloys are due to the formation of a TiO2 layer. This natural oxide may have fissures which are detrimental to its properties. Anodic oxidation is used to obtain thicker films. By means of this technique, at low voltages oxidation, amorphous and low roughness coatings are obtained, while, above a certain voltage, crystalline and porous coatings are obtained. According to the literature, the crystalline phases of TiO2, anatase, and rutile would present greater biocompatibility than the amorphous phase. On the other hand, for hemocompatible applications, smooth and homogeneous surfaces are required. One way to obtain crystalline and homogeneous coatings is by heat treatments after anodic oxidation. The aim of this study is to evaluate the influence of heat treatments on the thickness, morphology, and crystalline structure of the TiO2 anodic coatings. The characterization was performed by optical and scanning electron microscopy, X-ray diffraction, and X-ray reflectometry. Coatings with different colors of interference were obtained. There were no significant changes in the surface morphology and roughness after heat treatment of 500°C. Heat treated coatings have different proportions of the crystalline phases, depending on the voltage of anodic oxidation and the temperature of the heat treatment.

Plasmonic Physics of 2D Crystalline Materials

Directory of Open Access Journals (Sweden)

Zahra Torbatian

2018-02-01

Full Text Available Collective modes of doped two-dimensional crystalline materials, namely graphene, MoS 2 and phosphorene, both monolayer and bilayer structures, are explored using the density functional theory simulations together with the random phase approximation. The many-body dielectric functions of the materials are calculated using an ab initio based model involving material-realistic physical properties. Having calculated the electron energy-loss, we calculate the collective modes of each material considering the in-phase and out-of-phase modes for bilayer structures. Furthermore, owing to many band structures and intreband transitions, we also find high-energy excitations in the systems. We explain that the material-specific dielectric function considering the polarizability of the crystalline material such as MoS 2 are needed to obtain realistic plasmon dispersions. For each material studied here, we find different collective modes and describe their physical origins.

Influence of crystallinity on CO gas sensing for TiO{sub 2} films

Energy Technology Data Exchange (ETDEWEB)

Seeley, Zachary Mark [School of Mechanical and Materials Engineering, Washington State University, Pullman, WA 99164-2920 (United States); Bandyopadhyay, Amit [School of Mechanical and Materials Engineering, Washington State University, Pullman, WA 99164-2920 (United States)], E-mail: amitband@wsu.edu; Bose, Susmita [School of Mechanical and Materials Engineering, Washington State University, Pullman, WA 99164-2920 (United States)

2009-08-15

In the present research, carbon monoxide (CO) gas sensing response was studied for TiO{sub 2} thick films calcined and sintered between 700 and 900 deg. C. Crystalline phase, crystallite size, surface area, particle size, and amorphous content were measured for the calcined powder. Crystallinity of the powder was found to affect sensing response significantly towards CO. Anatase phase of TiO{sub 2} thick film was stable up to 900 deg. C however, as calcination temperature increased from 700 to 900 deg. C, surface area and amorphous phase content decreased. Films calcined and sintered at 700 deg. C showed a lower response towards CO than those calcined at 800 deg. C. Upon increasing the calcination temperature further, particle growth and reduced surface area hindered the sensing response. A calcination temperature of 800 deg. C was necessary to achieve sufficient order in the crystal structure leading to more efficient adsorption and desorption of oxygen ions on the surface of TiO{sub 2}.

A metastable liquid melted from a crystalline solid under decompression

Science.gov (United States)

Lin, Chuanlong; Smith, Jesse S.; Sinogeikin, Stanislav V.; Kono, Yoshio; Park, Changyong; Kenney-Benson, Curtis; Shen, Guoyin

2017-01-01

A metastable liquid may exist under supercooling, sustaining the liquid below the melting point such as supercooled water and silicon. It may also exist as a transient state in solid-solid transitions, as demonstrated in recent studies of colloidal particles and glass-forming metallic systems. One important question is whether a crystalline solid may directly melt into a sustainable metastable liquid. By thermal heating, a crystalline solid will always melt into a liquid above the melting point. Here we report that a high-pressure crystalline phase of bismuth can melt into a metastable liquid below the melting line through a decompression process. The decompression-induced metastable liquid can be maintained for hours in static conditions, and transform to crystalline phases when external perturbations, such as heating and cooling, are applied. It occurs in the pressure-temperature region similar to where the supercooled liquid Bi is observed. Akin to supercooled liquid, the pressure-induced metastable liquid may be more ubiquitous than we thought.

Experimental hydrothermal alteration of crystalline and radiation-damaged pyrochlore

International Nuclear Information System (INIS)

Geisler, T.; Seydoux-Guillaume, A.-M.; Poeml, P.; Golla-Schindler, U.; Berndt, J.; Wirth, R.; Pollok, K.; Janssen, A.; Putnis, A.

2005-01-01

We have performed hydrothermal experiments with a crystalline microlite and a heavily self-irradiation-damaged (i.e., X-ray amorphous) betafite in a solution containing 1 mol/l HCl and 1 mol/l CaCl 2 at 175 deg. C for 14 days. The well-crystalline microlite grains were partly (∼5-10 μm rim) replaced by a Ca and Na-poorer, defect pyrochlore phase with a larger unit-cell and a sharp chemical gradient at the interface (on a nm scale) to the unreacted core. The amorphous betafite grains (up to ∼2 mm in diameter), on the other hand, were completely transformed into an intergrowth of different crystalline phases (polycrystalline anatase and rutile, a yet unidentified Nb-Ta oxide, and a Y-REE phase), showing complex non-equilibrium structures. Our experimental observations bear a remarkable resemblance to those made on natural samples. They indicate that the processes of the fluid-pyrochlore interaction are influenced by self-irradiation structural damage and that thermodynamic equilibrium models can hardly be applied to adequately describe such systems

Stoichiometrical trends in differential scanning calorimetry measurements on phase-change materials

Energy Technology Data Exchange (ETDEWEB)

Klein, Michael; Linn, Malte; Wuttig, Matthias [I. Physikalisches Institut, RWTH Aachen University, Aachen (Germany)

2009-07-01

Phase-change materials are alloys which can be rapidly switched between two metastable states, the amorphous and the crystalline phase. At the same time they show pronounced contrast in their electrical and optical properties. They are widely used as the functional layer in rewritable optical discs. Prototypes of electrical devices employing phase change materials as non-volatile memory are already entering the market. Here we present calorimetric measurements, mainly on ternary Ge-Sb-Te alloys. Scratched-off thin film samples were heated in a differential scanning calorimeter to measure the transition from as-deposited amorphous to metastable crystalline phase and finally to the stable crystalline phase. The different transition temperatures will be analysed as a function of stoichiometry in order to improve the understanding of their interconnection.

Irradiation-induced dimensional changes of poorly crystalline carbons

International Nuclear Information System (INIS)

Bullock, R.E.

1979-01-01

Data are presented on irradiation-induced changes of poorly crystalline carbons at high temperatures(>900 0 C). The materials surveyed include: (1) carbon fibers, (2) glassy carbons, (3) carbonaceous matrix materials for HTGR fuel rods and (4) pyrocarbons. The materials are listed in order of increasing stability, with maximum strains ranging from more than 50% for fibers to less than 10% for pyrocarbons. Dimensional changes of highly anisotropic carbon fibers appear to be sensitive to irradiation temperature, as slightly anisotropic pyrocarbons are, whereas temperature seems to have little influence on the behavior of isotropic glassy carbons over the range from 600 to 1350 0 C. Dimensional changes for graphite-filled matrix materials were roughly isotropic on the average and did not seem to be strongly temperature dependent for the lower fluences investigated. Increased graphite filler lowered volumetric dimensional changes of the matrix in agreement with a rule-of-mixtures relationship between change components for the filler and the less-stable binder phases. Instabilities of all of the poorly crystalline materials were generally greater than those for more crystalline carbons under the same conditions, including highly orientated graphites that approximate single-crystal behavior. (author)

Lanthanide Phytanates: Liquid-Crystalline Phase Behavior, Colloidal Particle Dispersions, and Potential as Medical Imaging Agents

Energy Technology Data Exchange (ETDEWEB)

Conn, Charlotte E.; Panchagnula, Venkateswarlu; Weerawardena, Asoka; Waddington, Lynne J.; Kennedy, Danielle F.; Drummond, Calum J. (CSIRO/MHT); (CSIRO/MSE)

2010-08-23

Lanthanide salts of phytanic acid, an isoprenoid-type amphiphile, have been synthesized and characterized. Elemental analysis and FTIR spectroscopy were used to confirm the formed product and showed that three phytanate anions are complexed with one lanthanide cation. The physicochemical properties of the lanthanide phytanates were investigated using DSC, XRD, SAXS, and cross-polarized optical microscopy. Several of the hydrated salts form a liquid-crystalline hexagonal columnar mesophase at room temperature, and samarium(III) phytanate forms this phase even in the absence of water. Select lanthanide phytanates were dispersed in water, and cryo-TEM images indicate that some structure has been retained in the dispersed phase. NMR relaxivity measurements were conducted on these systems. It has been shown that a particulate dispersion of gadolinium(III) phytanate displays proton relaxivity values comparable to those of a commercial contrast agent for magnetic resonance imaging and a colloidal dispersion of europium(III) phytanate exhibits the characteristics of a fluorescence imaging agent.

Lanthanide Phytanates: Liquid-Crystalline Phase Behavior, Colloidal Particle Dispersions, and Potential as Medical Imaging Agents

International Nuclear Information System (INIS)

Conn, Charlotte E.; Panchagnula, Venkateswarlu; Weerawardena, Asoka; Waddington, Lynne J.; Kennedy, Danielle F.; Drummond, Calum J.

2010-01-01

Lanthanide salts of phytanic acid, an isoprenoid-type amphiphile, have been synthesized and characterized. Elemental analysis and FTIR spectroscopy were used to confirm the formed product and showed that three phytanate anions are complexed with one lanthanide cation. The physicochemical properties of the lanthanide phytanates were investigated using DSC, XRD, SAXS, and cross-polarized optical microscopy. Several of the hydrated salts form a liquid-crystalline hexagonal columnar mesophase at room temperature, and samarium(III) phytanate forms this phase even in the absence of water. Select lanthanide phytanates were dispersed in water, and cryo-TEM images indicate that some structure has been retained in the dispersed phase. NMR relaxivity measurements were conducted on these systems. It has been shown that a particulate dispersion of gadolinium(III) phytanate displays proton relaxivity values comparable to those of a commercial contrast agent for magnetic resonance imaging and a colloidal dispersion of europium(III) phytanate exhibits the characteristics of a fluorescence imaging agent.

Isotopic geochronology of the Western Carpathian crystalline complex: the present state

International Nuclear Information System (INIS)

Cambel, B.; Kral, J.

1989-01-01

Main events in the Western Carpathian crystalline complex documented by the U-Th-Pb, Rb-Sr, K-Ar and FT methods are as follows: Regional metamorphism of sedimentary rocks from the Tatric unit documented by isotopic homogenization of the 87 Sr/ 86 Sr ratio took place 400 million years ago (Silurian-Devonian boundary). Subsequent metamorphism of these rocks is associated with intrusions of granitoid bodies. The age of rhyolite volcanism of Gelnica sequence in the Gemericum is identical with that of the first stage of regional metamorphism. Granitoid plutonism covers a long time interval ranging from 390 to 280 million years. The presence of late Alpine granites has not yet been proved. Cooling of rocks from the crystalline complex to a temperature of ca. 270 degC was attained in the Tatric rocks ca. 300 million years ago and in the Veporic (Gemeric) rocks ca. 90-120 million years ago. The latest post-orogenic uplift differs in the Tatricum (most often Miocene) and the Veporicum (Upper Cretaceous). (author). 8 fis., 1 tab., 51 refs

Study of Phase Transformations on Nano-Crystalline (La,Sr)(Mn,Fe)O3 Systems by High-Pressure Moessbauer Spectroscopy

International Nuclear Information System (INIS)

Chandra, Usha; Mudgal, Prerana; Kumar, Manoj

2006-01-01

We report pressure-dependent 57Fe Moessbauer studies on a nano-crystalline perovskite La0.8Sr0.2(Mn0.8Fe0.2) O3 system up to 10 GPa using diamond anvil cell. At ambient pressure, iron is present as Fe3+ and Fe4+ in two different environments. Pressure seems to affect the higher symmetry site of Fe4+, while the octahedral site containing Fe3+ remains almost unaffected. Phase transformations are observed at pressures 0.52 GPa and 3.7 GPa respectively. A sudden increase in the isomer shift at 0.52 GPa is related to the reduction of Fe4+ ions while at 3.7 GPa, a structural transition is observed with sudden drop in isomer shift indicating Fe3+ ions in identical environment. Quadrupole splittings increase continuously with pressures up to 10 GPa

Identification of poorly crystalline scorodite in uranium mill tailings

International Nuclear Information System (INIS)

Frey, R.; Rowson, J.; Hughes, K.; Rinas, C.; Warner, J.

2010-01-01

The McClean Lake mill, located in northern Saskatchewan, processes a variety of uranium ore bodies to produce yellowcake. A by-product of this process is an acidic waste solution enriched in arsenic, referred to as raffinate. The raffinate waste stream is treated in the tailings preparation circuit, where arsenic is precipitated as a poorly crystalline scorodite phase. Raffinate neutralization studies have successfully identified poorly crystalline scorodite using XRD, SEM, EM, XANES and EXAFS methods, but to date, scorodite has not been successfully identified within the whole tailing solids. During the summer of 2008, a drilling program sampled the in situ tailings within the McClean Lake tailings management facility. Samples from this drilling campaign were sent to the Canadian Light Source Inc. for EXAFS analysis. The sample spectra positively identify a poorly crystalline scorodite phase within the McClean tailings management facility. (author)

Crystalline Bioceramic Materials

Directory of Open Access Journals (Sweden)

de Aza, P. N.

2005-06-01

Full Text Available A strong interest in the use of ceramics for biomedical engineering applications developed in the late 1960´s. Used initially as alternatives to metallic materials in order to increase the biocompatibility of implants, bioceramics have become a diverse class of biomaterials, presently including three basic types: relatively bioinert ceramics; bioactive or surface reactive bioceramics and bioresorbable ceramics. This review will only refer to bioceramics “sensus stricto”, it is to say, those ceramic materials constituted for nonmetallic inorganic compounds, crystallines and consolidated by thermal treatments of powders to high temperatures. Leaving bioglasses, glass-ceramics and biocements apart, since, although all of them are obtained by thermal treatments to high temperatures, the first are amorphous, the second are obtained by desvitrification of a glass and in them vitreous phase normally prevails on the crystalline phases and the third are consolidated by means of a hydraulic or chemical reaction to room temperature. A review of the composition, physiochemical properties and biological behaviour of the principal types of crystalline bioceramics is given, based on the literature data and on the own experience of the authors.

A finales de los años sesenta se despertó un gran interés por el uso de los materiales cerámicos para aplicaciones biomédicas. Inicialmente utilizados como una alternativa a los materiales metálicos, con el propósito de incrementar la biocompatibilidad de los implantes, las biocerámicas se han convertido en una clase diversa de biomateriales, incluyendo actualmente tres tipos: cerámicas cuasi inertes; cerámicas bioactivas o reactivas superficialmente y cerámicas reabsorbibles o biodegradables. En la presente revisión se hace referencia a las biocerámicas en sentido estricto, es decir, a aquellos materiales constitutitos por compuestos inorgánicos no metálicos, cristalinos y consolidados

Liquid crystallinity driven highly aligned large graphene oxide composites

Energy Technology Data Exchange (ETDEWEB)

Lee, Kyung Eun; Oh, Jung Jae; Yun, Taeyeong [Center for Nanomaterials and Chemical Reactions, Institute for Basic Science (IBS), Daejeon 305-701 (Korea, Republic of); Department of Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon 305-701 (Korea, Republic of); Kim, Sang Ouk, E-mail: sangouk.kim@kaist.ac.kr [Center for Nanomaterials and Chemical Reactions, Institute for Basic Science (IBS), Daejeon 305-701 (Korea, Republic of); Department of Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon 305-701 (Korea, Republic of)

2015-04-15

Graphene is an emerging graphitic carbon materials, consisting of sp{sup 2} hybridized two dimensinal honeycomb structure. It has been widely studied to incorporate graphene with polymer to utilize unique property of graphene and reinforce electrical, mechanical and thermal property of polymer. In composite materials, orientation control of graphene significantly influences the property of composite. Until now, a few method has been developed for orientation control of graphene within polymer matrix. Here, we demonstrate facile fabrication of high aligned large graphene oxide (LGO) composites in polydimethylsiloxane (PDMS) matrix exploiting liquid crystallinity. Liquid crystalline aqueous dispersion of LGO is parallel oriented within flat confinement geometry. Freeze-drying of the aligned LGO dispersion and subsequent infiltration with PDMS produce highly aligned LGO/PDMS composites. Owing to the large shape anisotropy of LGO, liquid crystalline alignment occurred at low concentration of 2 mg/ml in aqueous dispersion, which leads to the 0.2 wt% LGO loaded composites. - Graphical abstract: Liquid crystalline LGO aqueous dispersions are spontaneous parallel aligned between geometric confinement for highly aligned LGO/polymer composite fabrication. - Highlights: • A simple fabrication method for highly aligned LGO/PDMS composites is proposed. • LGO aqueous dispersion shows nematic liquid crystalline phase at 0.8 mg/ml. • In nematic phase, LGO flakes are highly aligned by geometric confinement. • Infiltration of PDMS into freeze-dried LGO allows highly aligned LGO/PDMS composites.

The microwave heating mechanism of N-(4-methoxybenzyliden)-4-butylaniline in liquid crystalline and isotropic phases as determined using in situ microwave irradiation NMR spectroscopy.

Science.gov (United States)

Tasei, Yugo; Tanigawa, Fumikazu; Kawamura, Izuru; Fujito, Teruaki; Sato, Motoyasu; Naito, Akira

2015-04-14

Microwave heating effects are widely used in the acceleration of organic, polymerization and enzymatic reactions. These effects are primarily caused by the local heating induced by microwave irradiation. However, the detailed molecular mechanisms associated with microwave heating effects on the chemical reactions are not yet well understood. This study investigated the microwave heating effect of N-(4-methoxybenzylidene)-4-butylaniline (MBBA) in liquid crystalline and isotropic phases using in situ microwave irradiation nuclear magnetic resonance (NMR) spectroscopy, by obtaining (1)H NMR spectra of MBBA under microwave irradiation. When heated simply using the temperature control unit of the NMR instrument, the liquid crystalline MBBA was converted to the isotropic phase exactly at its phase transition temperature (Tc) of 41 °C. The application of microwave irradiation at 130 W for 90 s while maintaining the instrument temperature at 20 °C generated a small amount of isotropic phase within the bulk liquid crystal. The sample temperature of the liquid crystalline state obtained during microwave irradiation was estimated to be 35 °C by assessing the linewidths of the (1)H NMR spectrum. This partial transition to the isotropic phase can be attributed to a non-equilibrium local heating state induced by the microwave irradiation. The application of microwave at 195 W for 5 min to isotropic MBBA while maintaining an instrument temperature of 50 °C raised the sample temperature to 160 °C. In this study, the MBBA temperature during microwave irradiation was estimated by measuring the temperature dependent chemical shifts of individual protons in the sample, and the different protons were found to indicate significantly different temperatures in the molecule. These results suggest that microwave heating polarizes bonds in polar functional groups, and this effect may partly explain the attendant acceleration of organic reactions.

The potential for the fabrication of wires embedded in the crystalline silicon substrate using the solid phase segregation of gold in crystallising amorphous volumes

International Nuclear Information System (INIS)

Liu, A.C.Y.; McCallum, J.C.

2004-01-01

The refinement of gold in crystallising amorphous silicon volumes was tested as a means of creating a conducting element embedded in the crystalline matrix. Amorphous silicon volumes were created by self-ion-implantation through a mask. Five hundred kiloelectronvolt Au + was then implanted into the volumes. The amorphous volumes were crystallised on a hot stage in air, and the crystallisation was characterised using cross sectional transmission electron microscopy. It was found that the amorphous silicon volumes crystallised via solid phase epitaxy at all the lateral and vertical interfaces. The interplay of the effects of the gold and also the hydrogen that infilitrated from the surface oxide resulted in a plug of amorphous material at the surface. Further annealing at this temperature demonstrated that the gold, once it had reached a certain critical concentration nucleated poly-crystalline growth instead of solid phase epitaxy. Time resolved reflectivity and Rutherford backscattering and channeling measurements were performed on large area samples that had been subject to the same implantation regime to investigate this system further. It was discovered that the crystallisation dynamics and zone refinement of the gold were complicated functions of both gold concentration and temperature. These findings do not encourage the use of this method to obtain conducting elements embedded in the crystalline silicon substrate

Diverse topics in crystalline beams

International Nuclear Information System (INIS)

Wei, Jie; Draeseke, A.; Sessler, A.M.; Li, Xiao-Ping

1995-01-01

Equations of motion are presented, appropriate to interacting charged particles of diverse charge and mass, subject to the external forces produced by various kinds of magnetic fields and radio-frequency (rf) electric fields in storage rings. These equations are employed in the molecular dynamics simulations to study the properties of crystalline beams. The two necessary conditions for the formation and maintenance of crystalline beams are summarized. The transition from ID to 2D, and from 2D to 3D is explored, and the scaling behavior of the heating rates is discussed especially in the high temperature limit. The effectiveness of various cooling techniques in achieving crystalline states has been investigated. Crystalline beams made of two different species of ions via sympathetic cooling are presented, as well as circulating ''crystal balls'' bunched in all directions by magnetic focusing and rf field. By numerically reconstructing the original experimental conditions of the NAP-M ring, it is found that only at extremely low beam intensities, outside of the range of the original measurement, proton particles can form occasionally-passing disks. The proposed New ASTRID ring is shown to be suitable for the formation and maintenance of crystalline beams of all dimensions

The density of cement phases

International Nuclear Information System (INIS)

Balonis, M.; Glasser, F.P.

2009-01-01

The densities of principal crystalline phases occurring in Portland cement are critically assessed and tabulated, in some cases with addition of new data. A reliable and self-consistent density set for crystalline phases was obtained by calculating densities from crystallographic data and unit cell contents. Independent laboratory work was undertaken to synthesize major AFm and AFt cement phases, determine their unit cell parameters and compare the results with those recorded in the literature. Parameters were refined from powder diffraction patterns using CELREF 2 software. A density value is presented for each phase, showing literature sources, in some cases describing limitations on the data, and the weighting attached to numerical values where an averaging process was used for accepted data. A brief discussion is made of the consequences of the packing of water to density changes in AFm and AFt structures.

Effect of annealing temperature on the crystalline quality and phase transformation of chemically deposited CdSe films

International Nuclear Information System (INIS)

Zapata-Torres, M.; Chale-Lara, F.; Caballero-Briones, F.; Calzadilla, O.

2005-01-01

Polycrystalline CdSe thin films were grown on glass substrates by chemical bath deposition at 50 C. The samples were annealed in air atmosphere at different temperatures and characterized by X-ray diffraction and Raman spectroscopy. It was found that the as-grown films have cubic structure. These samples maintain their cubic structure for annealing temperatures between 60 C and 300 C. For annealing temperatures higher than 300 C we obtain a mixture of cubic and hexagonal phases. The analysis made by X-ray diffraction and Raman dispersion show that the samples annealed at temperatures under the phase-transition temperature increase their crystalline quality. In order to determinate the temperature for the complete transition of the cubic phase, we used the precipitated material obtained during the grown of the CdSe films. This material was annealed on air atmosphere between 300 C and 500 C with 50 intervals. The samples were measured by X-ray diffraction. The samples maintained the cubic structure if the annealing temperature is under 300 C. For temperatures between 300 C and 450 C we found a mixture of cubic and hexagonal phase. For an annealing temperature of 500 C we obtain only the hexagonal phase. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

The surface quasiliquid melt acceleration and the role of thermodynamic phase in the thermal decomposition of crystalline organic explosives

Energy Technology Data Exchange (ETDEWEB)

Henson, Bryan F [Los Alamos National Laboratory

2010-01-01

We show that melt acceleration in the thermal decomposition of crystalline organic solids is a manifestation of the surface quasiliquid phase. We derive a single universal rate law for melt acceleration that is a simple function of the metastable liquid activity below the melting point, and has a zero order term proportional to the quasiliquid thickness. We argue that the underlying mechanisms of this model will provide a molecular definition for the stability of the class of secondary explosives.

Crystalline phase of sodium germanate system determined by x-ray diffraction and 23Na magic angle spinning nuclear magnetic resonance

International Nuclear Information System (INIS)

Hussin, R.; Holland, D.; Dupree, R.

2000-01-01

Crystalline products of sodium germanate glasses system with composition from 10 mol% to 50 mol% Na 2 O have been investigated using 23 Na magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy and x-ray diffraction (XRD). Fitting of the 23 Na NMR spectra of the crystalline phases concerning different crystallographically sodium atom in sodium germanate system are reasonably reproducible as observed by the spectra obtained. The line shape simulations of the 23 Na NMR spectra yielded NMR quadrupolar parameters such as nuclear quadrupole coupling constants (C Q ), asymmetry parameters (η), and isotropic chemical shifts (δ i ). 23 Na NMR isotropic chemical shift may also provide further information on the structural environment of the sodium atom. A simple correlation between structure and NMR parameters to be tested can be used to probe the structure of sodium germanate glasses. The experimental 23 Na chemical shifts correlate well with an empirical shift parameter based on the total oxygen-cation bond valence and Na-O distances of all oxygen atoms in the first coordination sphere of the sodium cation. In this study the different phases in the sodium germanate system were identified. These results show that 23 Na NMR can provide examples of the types of structural information for sodium germanate system. (Author)

Hierarchical architectures TiO2: Pollen-inducted synthesis, remarkable crystalline-phase stability, tunable size, and reused photo-catalysis

International Nuclear Information System (INIS)

Dou, Lingling; Gao, Lishuang; Yang, Xiaohui; Song, Xiuqin

2012-01-01

Highlights: ► The synthetic method is much milder and simpler than that of conventional methods. ► The obtained hierarchical TiO 2 shows three interesting hierarchical morphology. ► The products have tunable crystal phase structures. ► The pure phase of anatase can be retained after being annealed at 900 °C. ► The product exhibits higher and reused photo-catalytic activity. - Abstract: TiO 2 with hierarchical architectures, tunable crystalline phase and thermal stability is successfully fabricated on a large scale through a facile hydrolysis process of TiCl 4 combining with inducing of pollen. The structure of the as-prepared TiO 2 is characterized by X-ray diffraction, Raman spectroscopy, infrared spectra, and scanning electron microscopy. The experimental results indicate that different phases (anatase, rutile or mixed crystallite) of TiO 2 can be synthesized by controlling the experimental conditions. The pure phase of rutile or anatase can be obtained at 100 °C, while the pure phase of anatase can be retained after being annealed at 900 °C. The hierarchical structures TiO 2 are constitute through self-assembly of nanoparticles or nanorods TiO 2 , which exhibit high and reused photo-catalytic properties for degradation of methylene blue.

High-resolution electron microscopy study of electron-irradiation-induced crystalline-to-amorphous transition in α-SiC single crystals

International Nuclear Information System (INIS)

Inui, H.; Mori, H.; Sakata, T.

1992-01-01

An electron-irradiation-induced crystalline-to-amorphous (CA) transition in α-SiC has been studied by high-resolution electron microscopy (HREM). The irradiation-produced damage structure was examined as a function of dose of electrons by taking high-resolution maps extending from the unirradiated crystalline region to the completely amorphized region. In the intermediate region between those two regions, that is in the CA transition region, the damage structure was essentially a mixture of crystalline and amorphous phases. The volume fraction of the amorphous phase was found to increase with increasing dose of electrons and no discrete crystalline-amorphous interface was observed in the CA transition region. These facts indicate the heterogeneous and gradual nature of the CA transition. In the transition region close to the unirradiated crystalline region, a sort of fragmentation of the crystal lattice was observed to occur, crystallites with slightly different orientations with respect to the parent crystal were formed owing to the strain around the dispersed local amorphous regions. In the transition region close to the amorphized region, these crystallites were reduced in size and were embedded in an amorphous matrix. This damage structure is the result of the increased volume fraction of the amorphous phase. In the completely amorphized region, no lattice fringes were recognized in the HREM images. The atomistic process of the CA transition is discussed on the basis of the present results and those from previous studies. (Author)

Synthesis, characterization and structural control of nano crystalline molybdenum oxide MoO{sub 3} single phase by low cost technique

Energy Technology Data Exchange (ETDEWEB)

Afify, H.H.; Hassan, S.A. [Solid State Department, Physics Division, National Research Centre, 33 El Bohouthst. (fromer El Tahrirst.), Dokki, P.O. 12622, Giza (Egypt); Abouelsayed, A., E-mail: as.abouelsayed@gmail.com [Spectroscopy Department, Physics Division, National Research Centre, 33 El Bohouthst. (fromer El Tahrirst.), Dokki, P.O. 12622, Giza (Egypt); Demian, S.E. [Solid State Department, Physics Division, National Research Centre, 33 El Bohouthst. (fromer El Tahrirst.), Dokki, P.O. 12622, Giza (Egypt); Zayed, H.A. [Physics Department, Faculty of Girls for Art, Sciences and Education, Ain Shams University (Egypt)

2016-06-15

Thermodynamically stable α- MoO{sub 3} thin film is prepared without any other phases of the molybdenum oxides. Simple and low coast spray pyrolysis technique is used. Growth conditions are optimized to produce pure α- MoO{sub 3} with controlled crystallite size and surface morphology. Small angle (GAXRD) diffractometer is used to elucidate the structure. Profile shape function (PSF) model is made for the experimental data. WinFit software is going first to fit (PSF) to use the refined profile parameters for determination of crystallite size and internal residual strain. The (GAXRD) patterns prove the existence of α- MoO{sub 3} only with layered structure, indicated by the appearance of only (0k0). The calculated crystallite sizes and the strain are found to range from 10 to 28 nm and 0.28%–0.05% respectively. Ultraviolet and Visible transmission measurements were performed over a wavelength range 190–2500 nm on the MoO{sub 3} thin films synthesized by spray pyrolysis technique at different substrate temperature. The two sub-bands corresponds to the electronic transition between the molybdenum oxidation states Mo{sup 4+}, Mo{sup 5+} and Mo{sup 6+} are observed. Quantitative information on the temperature-induced blue shift of the sub-bands was obtained by fitting the spectra with Lorentz functions. The transition from Mo{sup 5+} to Mo{sup 6+} oxidation states show a blue shift up to Tc = 325 °C. Above Tc, the transition Mo{sup 5+} to Mo{sup 6+} increases more drastically, resulting in an anomaly in the temperature-induced shift at Tc. The anomaly can be attributed to the amorphous-to-crystalline phase transition at 325 °C. In addition, both refractive index and extinction coefficient are calculated as a function of substrate temperature. - Highlights: • Single phase α-MoO{sub 3} nano crystalline MoO{sub 3} thin films have been synthesized. • Amorphous-to-crystalline phase transition occurs at 325 °C for MoO{sub 3} thin films. • A clear

The thermal structural transition of alpha-crystallin modulates subunit interactions and increases protein solubility.

Directory of Open Access Journals (Sweden)

Giuseppe Maulucci

Full Text Available BACKGROUND: Alpha crystallin is an oligomer composed of two types of subunits, alpha-A and alpha-B crystallin, and is the major constituent of human lens. The temperature induced condensation of alpha-crystallin, the main cause for eye lens opacification (cataract, is a two step-process, a nucleation followed by an aggregation phase, and a protective effect towards the aggregation is exhibited over the alpha crystallin phase transition temperature (Tc = 318.16 K. METHODS/RESULTS: To investigate if a modulation of the subunit interactions over Tc could trigger the protective mechanism towards the aggregation, we followed, by using simultaneously static and dynamic light scattering, the temperature induced condensation of alpha-crystallin. By developing a mathematical model able to uncouple the nucleation and aggregation processes, we find a previously unobserved transition in the nucleation rate constant. Its temperature dependence allows to determine fundamental structural parameters, the chemical potential (Δμ and the interfacial tension (γ of the aggregating phase, that characterize subunit interactions. CONCLUSIONS/GENERAL SIGNIFICANCE: The decrease of both Δμ and γ at Tc, and a relative increase in solubility, reveal a significative decrease in the strenght of alpha-crystallin subunits interactions, which protects from supramolecolar condensation in hypertermic conditions. On the whole, we suggest a general approach able to understand the structural and kinetic mechanisms involved in aggregation-related diseases and in drugs development and testing.

Vibrational sum frequency generation (SFG) spectroscopic study of crystalline cellulose in biomass

Science.gov (United States)

Kim, Seong H.; Lee, Christopher M.; Kafle, Kabindra; Park, Yong Bum; Xi, Xiaoning

2013-09-01

The noncentrosymmetry requirement of sum frequency generation (SFG) spectroscopy allows selective detection of crystalline cellulose in plant cell walls and lignocellulose biomass without spectral interferences from hemicelluloses and lignin. In addition, the phase synchronization requirement of the SFG process allows noninvasive investigation of spatial arrangement of crystalline cellulose microfibrils in the sample. This paper reviews how these principles are applied to reveal structural information of crystalline cellulose in plant cell walls and biomass.

Magnetic islands modelled by a phase-field-crystal approach

Science.gov (United States)

Faghihi, Niloufar; Mkhonta, Simiso; Elder, Ken R.; Grant, Martin

2018-03-01

Using a minimal model based on the phase-field-crystal formalism, we study the coupling between the density and magnetization in ferromagnetic solids. Analytical calculations for the square phase in two dimensions are presented and the small deformation properties of the system are examined. Furthermore, numerical simulations are conducted to study the influence of an external magnetic field on various phase transitions, the anisotropic properties of the free energy functional, and the scaling behaviour of the growth of the magnetic domains in a crystalline solid. It is shown that the energy of the system can depend on the direction of the magnetic moments, with respect to the crystalline direction. Furthermore, the growth of the magnetic domains in a crystalline solid is studied and is shown that the growth of domains is in agreement with expected behaviour.

Characterization of single crystalline ZnTe and ZnSe grown by vapor phase transport

Energy Technology Data Exchange (ETDEWEB)

Trigubo, A B; Di Stefano, M C [FRBA-UTN, (1179) Buenos Aires (Argentina); Aguirre, M H [Dpto de Quim Inorg, Fac de Cs Quim, Univ Complutense, (28040) Madrid (Spain); Martinez, A M; D' Elia, R; Canepa, H; Heredia, E, E-mail: atrigubo@citefa.gov.a [CINSO-CITEFA: (1603) Villa Martelli, Pcia de Buenos Aires (Argentina)

2009-05-01

Tubular furnaces were designed and built to obtain single crystalline ZnTe and ZnSe ingots using respectively physical and chemical transport methods. Different temperature profiles and growth rates were analyzed in order to optimize the necessary crystalline quality for device development. Optical and scanning electron micrographs of the corrosion figures produced by chemical etching were used to obtain the dislocation density and the misorientation between adjacent subgrains in ZnTe and ZnSe wafers. Structural quality of the single crystalline material was determined by transmission electronic microscopy. Optical transmittance was measured by infrared transmission spectrometry and the resulting values were compared to commercial samples.

Enhanced Crystalline Phase Purity of CH3NH3PbI3-xClx Film for High-Efficiency Hysteresis-Free Perovskite Solar Cells.

Science.gov (United States)

Yang, Yingguo; Feng, Shanglei; Xu, Weidong; Li, Meng; Li, Li; Zhang, Xingmin; Ji, Gengwu; Zhang, Xiaonan; Wang, Zhaokui; Xiong, Yimin; Cao, Liang; Sun, Baoquan; Gao, Xingyu

2017-07-12

Despite rapid successful developments toward promising perovskite solar cells (PSCs) efficiency, they often suffer significant hysteresis effects. Using synchrotron-based grazing incidence X-ray diffraction (GIXRD) with different probing depths by varying the incident angle, we found that the perovskite films consist of dual phases with a parent phase dominant in the interior and a child phase with a smaller (110) interplanar space (d (110) ) after rapid thermal annealing (RTA), which is a widely used post treatment to improve the crystallization of solution-processed perovskite films for high-performance planar PSCs. In particular, the child phase composition gradually increases with decreasing depth till it becomes the majority on the surface, which might be one of the key factors related to hysteresis in fabricated PSCs. We further improve the crystalline phase purity of the solution-processed CH 3 NH 3 PbI 3-x Cl x perovskite film (referred as g-perovskite) by using a facile gradient thermal annealing (GTA), which shows a uniformly distributed phase structure in pinhole-free morphology with less undercoordinated Pb and I ions determined by synchrotron-based GIXRD, grazing incidence small-angle X-ray scattering, scanning electron microscopy, and X-ray photoelectron spectroscopy. Regardless of device structures (conventional and inverted types), the planar heterojunction PSCs employing CH 3 NH 3 PbI 3-x Cl x g-perovskite films exhibit negligible hysteresis with a champion power conversion efficiency of 17.04% for TiO 2 -based conventional planar PSCs and 14.83% for poly(3,4-ethylenedioxythiophene:poly(styrenesulfonate) (PEDOT:PSS)-based inverted planar PSCs. Our results indicate that the crystalline phase purity in CH 3 NH 3 PbI 3-x Cl x perovskite film, especially in the surface region, plays a crucial role in determining the hysteresis effect and device performance.

Preliminary treatment of chlorinated streams containing fission products: mechanisms leading to crystalline phases in molten chloride media

International Nuclear Information System (INIS)

Hudry, D.

2008-10-01

The world of the nuclear power gets ready for profound modifications so that 'the atom' can aspire in conformance with long-lasting energy: it is what we call the development of generation IV nuclear systems. So, the new pyrochemical separation processes for the spent fuel reprocessing are currently being investigated. Techniques in molten chloride media generate an ultimate flow (with high chlorine content) which cannot be incorporated in conventional glass matrices. This flow is entirely water-soluble and must be conditioned in a chemical form which is compatible with a long-term disposal. This work of thesis consists in studying new ways for the management of the chlorinated streams loaded with fission products (FP). To do it, a strategy of selective FP extraction via the in situ formation of crystalline phases was retained. The possibility of extracting rare earths in the eutectic LiCl-KCl was demonstrated via the development of a new way of synthesis of rare earth phosphates (TRPO 4 ). As regards alkaline earths, the conversion of strontium and barium chlorides to the corresponding tungstates or molybdates was studied in different solvents. Mechanisms leading to the crystalline phases in molten chloride media were studied via the coupling of NMR and XRD techniques. First of all, it has been shown that these mechanisms are dependent on the stability of the used precursors. So in the case of the formation of rare earth phosphates the solvent is chemically active. On the other hand, in the case of the formation of alkaline earth tungstates it would seem that the solvent plays the role of structuring agent which can control the ability to react of chlorides. (author)

Solution-phase synthesis of single-crystalline Fe3O4 magnetic nanobelts

International Nuclear Information System (INIS)

Li Lili; Chu Ying; Liu Yang; Wang Dan

2009-01-01

Single-crystalline Fe 3 O 4 nanobelt was first synthesized on a large scale by a facile and efficient hydrothermal process. The samples were characterized by transmission electron microscopy (TEM), X-ray diffraction (XRD), and vibrating sample magnetometer (VSM). The SAED pattern obtained from a typical individual nanobelt has a highly symmetrical dotted lattice, which reveals the single-crystalline nature of belt-like Fe 3 O 4 . The saturation magnetization of the Fe 3 O 4 nanobelt is higher than the wire, hollow sphere and octahedral structure. Such methods are easy and mild, and could synthesize other metal oxide in such experiment situation

Controlling the morphology of side chain liquid crystalline block copolymer thin films through variations in liquid crystalline content.

Science.gov (United States)

Verploegen, Eric; Zhang, Tejia; Jung, Yeon Sik; Ross, Caroline; Hammond, Paula T

2008-10-01

In this paper, we describe methods for manipulating the morphology of side-chain liquid crystalline block copolymers through variations in the liquid crystalline content. By systematically controlling the covalent attachment of side chain liquid crystals to a block copolymer (BCP) backbone, the morphology of both the liquid crystalline (LC) mesophase and the phase-segregated BCP microstructures can be precisely manipulated. Increases in LC functionalization lead to stronger preferences for the anchoring of the LC mesophase relative to the substrate and the intermaterial dividing surface. By manipulating the strength of these interactions, the arrangement and ordering of the ultrathin film block copolymer nanostructures can be controlled, yielding a range of morphologies that includes perpendicular and parallel cylinders, as well as both perpendicular and parallel lamellae. Additionally, we demonstrate the utilization of selective etching to create a nanoporous liquid crystalline polymer thin film. The unique control over the orientation and order of the self-assembled morphologies with respect to the substrate will allow for the custom design of thin films for specific nanopatterning applications without manipulation of the surface chemistry or the application of external fields.

Reducing burn-in voltage loss in polymer solar cells by increasing the polymer crystallinity

KAUST Repository

Heumueller, Thomas

2014-08-01

In order to commercialize polymer solar cells, the fast initial performance losses present in many high efficiency materials will have to be managed. This burn-in degradation is caused by light-induced traps and its characteristics depend on which polymer is used. We show that the light-induced traps are in the bulk of the active layer and we find a direct correlation between their presence and the open-circuit voltage loss in devices made with amorphous polymers. Solar cells made with crystalline polymers do not show characteristic open circuit voltage losses, even though light-induced traps are also present in these devices. This indicates that crystalline materials are more resistant against the influence of traps on device performance. Recent work on crystalline materials has shown there is an energetic driving force for charge carriers to leave amorphous, mixed regions of bulk heterojunctions, and charges are dominantly transported in pure, ordered phases. This energetic landscape allows efficient charge generation as well as extraction and also may benefit the stability against light-induced traps. This journal is © the Partner Organisations 2014.

Molecular structure of the discotic liquid crystalline phase of hexa-peri-hexabenzocoronene/oligothiophene hybrid and their charge transport properties

International Nuclear Information System (INIS)

Bag, Saientan; Maingi, Vishal; Maiti, Prabal K.; Yelk, Joe; Glaser, Matthew A.; Clark, Noel A.; Walba, David M.

2015-01-01

Using atomistic molecular dynamics simulation, we study the discotic columnar liquid crystalline (LC) phases formed by a new organic compound having hexa-peri-Hexabenzocoronene (HBC) core with six pendant oligothiophene units recently synthesized by Nan Hu et al. [Adv. Mater. 26, 2066 (2014)]. This HBC core based LC phase was shown to have electric field responsive behavior and has important applications in organic electronics. Our simulation results confirm the hexagonal arrangement of columnar LC phase with a lattice spacing consistent with that obtained from small angle X-ray diffraction data. We have also calculated various positional and orientational correlation functions to characterize the ordering of the molecules in the columnar arrangement. The molecules in a column are arranged with an average twist of 25° having an average inter-molecular separation of ∼5 Å. Interestingly, we find an overall tilt angle of 43° between the columnar axis and HBC core. We also simulate the charge transport through this columnar phase and report the numerical value of charge carrier mobility for this liquid crystal phase. The charge carrier mobility is strongly influenced by the twist angle and average spacing of the molecules in the column

Energy storage crystalline gel materials for 3D printing application

Science.gov (United States)

Mao, Yuchen; Miyazaki, Takuya; Gong, Jin; Zhu, Meifang

2017-04-01

Phase change materials (PCMs) are considered one of the most reliable latent heat storage and thermoregulation materials. In this paper, a vinyl monomer is used to provide energy storage capacity and synthesize gel with phase change property. The side chain of copolymer form crystal microcell to storage/release energy through phase change. The crosslinking structure of the copolymer can protect the crystalline micro-area maintaining the phase change stable in service and improving the mechanical strength. By selecting different monomers and adjusting their ratios, we design the chemical structure and the crystallinity of gels, which in further affect their properties, such as strength, flexibility, thermal absorb/release transition temperature, transparency and the water content. Using the light-induced polymerization 3D printing techniques, we synthesize the energy storage gel and shape it on a 3D printer at the same time. By optimizing the 3D printing conditions, including layer thickness, curing time and light source, etc., the 3D printing objects are obtained.

Area Recommendation Report for the Crystalline Repository Project: Volume 1, Draft

International Nuclear Information System (INIS)

1986-01-01

This Draft Area Recommendation Report for the Crystalline Repository Project identifies portions of crystalline rock bodies as proposed potentially acceptable sites for consideration in the second high-level radioactive waste repository program. The US Department of Energy evaluated available geologic and environmental data for 235 crystalline rock bodies in the North Central, Northeastern, and Southeastern regions to identify preliminary candidate areas. Further evaluation of these preliminary candidate areas resulted in the selection of 12 as proposed potentially acceptable sites. The 12 proposed potentially acceptable sites are located in the States of Georgia (1), Maine (2), Minnesota (3), New Hampshire (1), North Carolina (2), Virginia (2), and Wisconsin (1). The data, analyses, and rationale with which the 12 proposed potentially acceptable sites were selected are presented in this draft report. The analyses presented demonstrate that the evidence available for each proposed potentially acceptable site supports (1) a finding that the site is not disqualified in accordance with the application requirements of Appendix III of the siting guidelines and (2) a decision to proceed with the continued investigation of the site on the basis of the favorable and potentially adverse conditions identified to date. Once this report is finalized, potentially acceptable sites in crystalline rock will be formally identified by the Secretary of Energy, in accordance with the DOE siting guidelines. These potentially acceptable sites will be investigated and evaluated in more detail during the area phase of the siting process. An additional eight areas, which meet the requirements for identification as potentially acceptable sites, will retain their designation as candidate areas

Relation between crystallinity and chemical nature of surface on wettability: A study on pulsed laser deposited TiO2 thin films

International Nuclear Information System (INIS)

Shirolkar, Mandar M.; Phase, Deodatta; Sathe, Vasant; Choudhary, Ram Janay; Rodriguez-Carvajal, J.; Kulkarni, Sulabha K.

2011-01-01

Pure titania (TiO 2 ) polycrystalline thin films in rutile, anatase and mixed phase have been grown on amorphous glass substrates by pulsed laser deposition method at various oxygen gas pressure. Wettability investigations have been carried out on these films. Consistent with our previous report [J. Phys. D: Appl. Phys. 41, 155308 (2008)] it has been observed that for nearly same surface roughness large contact angle or superhydrophobicity is present when sample has a pure single phase and lower contact angle or hydrophobicity when mixed phases were present. Structural characterizations suggest that in addition to roughness, pure phase film surface associated with hydrophobic sites and mixed phase film surface show association of both hydrophobic and hydrophilic sites, which might be inducing specific wetting character. UV treatment induces superhydrophilicity in the films. It was observed that UV irradiation causes nonequilibrium state on the TiO 2 surface, leading to changes in the electron density, which in turn produces decrement in the crystallinity and lattice expansion. Reversible changes in the wetting state on the pure phase surfaces were observed to be faster than those on the mixed phase surfaces. We tried to establish the possible relation between crystalline phases, chemical nature of surface on reversible wettability besides the main governing parameter viz. surface roughness.

Polymer and Polymer Gel of Liquid Crystalline Semiconductors

Institute of Scientific and Technical Information of China (English)

Teppei Shimakawa; Naoki Yoshimoto; Jun-ichi Hanna

2004-01-01

It prepared a polymer and polymer gel of a liquid crystalline (LC) semiconductor having a 2-phenylnaphthalene moiety and studied their charge carrier transport properties by the time-of-flight technique. It is found that polyacrylate having the mesogenic core moiety of 2-phenylnaphtalene (PNP-acrylate) exhibited a comparable mobility of 10-4cm2/Vs in smectic A phase to those in smectic A (SmA) phase of small molecular liquid crystals with the same core moiety, e.g., 6-(4'-octylphenyl)- 2-dodecyloxynaphthalene (8-PNP-O12), and an enhanced mobility up to 10-3cm2/Vs in the LC-glassy phase at room temperature, when mixed with a small amount of 8-PNP-O12. On the other hand, the polymer gel consisting of 20 wt %-hexamethylenediacrylate (HDA)-based cross-linked polymer and 8-PNP-O12 exhibited no degraded mobility when cross-linked at the mesophase. These results indicate that the polymer and polymer composite of liquid crystalline semiconductors provide us with an easy way to realize a quality organic semiconductor thin film for the immediate device applications.

Dielectric properties and conductivity of carbon nanofiber/semi-crystalline polymer composites

International Nuclear Information System (INIS)

Sui, G.; Jana, S.; Zhong, W.H.; Fuqua, M.A.; Ulven, C.A.

2008-01-01

The properties of semi-crystalline polymer nanocomposites are affected by the nanofillers directly and indirectly, as two phases, i.e., crystalline and amorphous, exist in the polymer. The effects of nanofillers on the two phases could be competitive. The dielectric properties and conductivity of carbon nanofibers (CNF)/semi-crystalline polymer nanocomposites are studied in this paper. CNF/polypropylene (PP) nanocomposites are prepared in experiment by melt blending. The resulting morphology and crystalline structure are characterized by means of differential scanning calorimetry, wide angle X-ray diffraction and scanning electron microscopy. The PP nanocomposite containing 5 wt.% CNF exhibits a surprisingly high dielectric constant under wide sweep frequencies attended by low dielectric loss. Its dielectric constant is >600 under lower frequency, and remains >200 at a frequency of 4000 Hz. The electrical and thermal conductivities of the nanocomposites are studied, and enhancements are seen with increased CNF content. Theoretical analyses on the physical properties are carried out by applying the existing models. Research results indicate that a common commercial plastic with good comprehensive performance, which exhibited the potential for applications in advanced electronics, was obtained by a simple industry benign technique

Crystallinity and mechanical effects from annealing Parylene thin films

Energy Technology Data Exchange (ETDEWEB)

Jackson, Nathan, E-mail: Nathan.Jackson@tyndall.ie [Tyndall National Institute, University College Cork, Cork (Ireland); Stam, Frank; O' Brien, Joe [Tyndall National Institute, University College Cork, Cork (Ireland); Kailas, Lekshmi [University of Limerick, Limerick (Ireland); Mathewson, Alan; O' Murchu, Cian [Tyndall National Institute, University College Cork, Cork (Ireland)

2016-03-31

Parylene is commonly used as thin film polymer for MEMS devices and smart materials. This paper investigates the impact on bulk properties due to annealing various types of Parylene films. A thin film of Parylene N, C and a hybrid material consisting of Parylene N and C were deposited using a standard Gorham process. The thin film samples were annealed at varying temperatures from room temperature up to 300 °C. The films were analyzed to determine the mechanical and crystallinity effects due to different annealing temperatures. The results demonstrate that the percentage of crystallinity and the full-width-half-maximum value on the 2θ X-ray diffraction scan increases as the annealing temperature increases until the melting temperature of the Parylene films was achieved. Highly crystalline films of 85% and 92% crystallinity were achieved for Parylene C and N respectively. Investigation of the hybrid film showed that the individual Parylene films behave independently to each other, and the crystallinity of one film had no significant impact to the other film. Mechanical testing showed that the elastic modulus and yield strength increase as a function of annealing, whereas the elongation-to-break parameter decreases. The change in elastic modulus was more significant for Parylene C than Parylene N and this is attributed to the larger change in crystallinity that was observed. Parylene C had a 112% increase in crystallinity compared to a 61% increase for Parylene N, because the original Parylene N material was more crystalline than Parylene C so the change of crystallinity was greater for Parylene C. - Highlights: • A hybrid material consisting of Parylene N and C was developed. • Parylene N has greater crystallinity than Parylene C. • Phase transition of Parylene N due to annealing results in increased crystallinity. • Annealing caused increased crystallinity and elastic modulus in Parylene films. • Annealed hybrid Parylene films crystallinity behave

Crystalline polymorphism induced by charge regulation in ionic membranes.

Science.gov (United States)

Leung, Cheuk-Yui; Palmer, Liam C; Kewalramani, Sumit; Qiao, Baofu; Stupp, Samuel I; Olvera de la Cruz, Monica; Bedzyk, Michael J

2013-10-08

The crystallization of molecules with polar and hydrophobic groups, such as ionic amphiphiles and proteins, is of paramount importance in biology and biotechnology. By coassembling dilysine (+2) and carboxylate (-1) amphiphiles of various tail lengths into bilayer membranes at different pH values, we show that the 2D crystallization process in amphiphile membranes can be controlled by modifying the competition of long-range and short-range interactions among the polar and the hydrophobic groups. The pH and the hydrophobic tail length modify the intermolecular packing and the symmetry of their crystalline phase. For hydrophobic tail lengths of 14 carbons (C14), we observe the coassembly into crystalline bilayers with hexagonal molecular ordering via in situ small- and wide-angle X-ray scattering. As the tail length increases, the hexagonal lattice spacing decreases due to an increase in van der Waals interactions, as demonstrated by atomistic molecular dynamics simulations. For C16 and C18 we observe a reentrant crystalline phase transition sequence, hexagonal-rectangular-C-rectangular-P-rectangular-C-hexagonal, as the solution pH is increased from 3 to 10.5. The stability of the rectangular phases, which maximize tail packing, increases with increasing tail length. As a result, for very long tails (C22), the possibility of observing packing symmetries other than rectangular-C phases diminishes. Our work demonstrates that it is possible to systematically exchange chemical and mechanical energy by changing the solution pH value within a range of physiological conditions at room temperature in bilayers of molecules with ionizable groups.

Phase-change materials: vibrational softening upon crystallization and its impact on thermal properties

Energy Technology Data Exchange (ETDEWEB)

Matsunaga, Toshiyuki [Materials Science and Analysis Technology Centre, Panasonic Corporation, Osaka (Japan); Japan Synchrotron Radiation Research Institute Hyogo (Japan); Yamada, Noboru [Digital and Network Technology Development Centre, Panasonic Corporation, Osaka (Japan); Japan Synchrotron Radiation Research Institute Hyogo (Japan); Kojima, Rie [Digital and Network Technology Development Centre, Panasonic Corporation, Osaka (Japan); Shamoto, Shinichi [Neutron Science Research Centre, Japan Atomic Energy Research Institute, Ibaraki (Japan); Sato, Masugu; Tanida, Hajime; Uruga, Tomoya; Kohara, Shinji [Japan Synchrotron Radiation Research Institute, Hyogo (Japan); Takata, Masaki [SPring-8/RIKEN, Hyogo, Japan, Department of Advanced Materials Science, School of Frontier Sciences, The University of Tokyo, Chiba (Japan); Zalden, Peter; Bruns, Gunnar; Wuttig, Matthias [I. Physikalisches Institut und JARA-FIT, RWTH Aachen Univ. (Germany); Sergueev, Ilya [European Synchrotron Radiation Facility, Grenoble (France); Wille, Hans Christian [Deutsches Elektronen-Synchrotron, Hamburg (Germany); Hermann, Raphael Pierre [Juelich Centre for Neutron Science JCNS and Peter Gruenberg, Institut PGI, JARA-FIT, Forschungszentrum Juelich GmbH (Germany); Faculte des Sciences, Universite de Liege (Belgium)

2011-06-21

Crystallization of an amorphous solid is usually accompanied by a significant change of transport properties, such as an increase in thermal and electrical conductivity. This fact underlines the importance of crystalline order for the transport of charge and heat. Phase-change materials, however, reveal a remarkably low thermal conductivity in the crystalline state. The small change in this conductivity upon crystallization points to unique lattice properties. The present investigation reveals that the thermal properties of the amorphous and crystalline state of phase-change materials show remarkable differences such as higher thermal displacements and a more pronounced anharmonic behavior in the crystalline phase. These findings are related to the change of bonding upon crystallization, which leads to an increase of the sound velocity and a softening of the optical phonon modes at the same time. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

An overview of crystalline silicon solar cell technology: Past, present, and future

Science.gov (United States)

Sopian, K.; Cheow, S. L.; Zaidi, S. H.

2017-09-01

Crystalline silicon (c-Si) solar cell, ever since its inception, has been identified as the only economically and environmentally sustainable renewable resource to replace fossil fuels. Performance c-Si based photovoltaic (PV) technology has been equal to the task. Its price has been reduced by a factor of 250 over last twenty years (from ˜ 76 USD to ˜ 0.3 USD); its market growth is expected to reach 100 GWP by 2020. Unfortunately, it is still 3-4 times higher than carbon-based fuels. With the matured PV manufacturing technology as it exists today, continuing price reduction poses stiff challenges. Alternate manufacturing approaches in combination with thin wafers, low (< 10 x) optical enhancement with Fresnel lenses, band-gap engineering for enhanced optical absorption, and newer, advanced solar cell configurations including partially transparent bifacial and back contact solar cells will be required. This paper will present a detailed, cost-based analysis of advanced solar cell manufacturing technologies aimed at higher (˜ 22 %) efficiency with existing equipment and processes.

Distance-dependent metal enhanced fluorescence by flowerlike silver nanostructures fabricated in liquid crystalline phase

Science.gov (United States)

Zhang, Ying; Yang, Chengliang; Zhang, Guiyang; Peng, Zenghui; Yao, Lishuang; Wang, Qidong; Cao, Zhaoliang; Mu, Quanquan; Xuan, Li

2017-10-01

Flowerlike silver nanostructure substrates were fabricated in liquid crystalline phase and the distance dependent property of metal enhanced fluorescence for such substrate was studied for the first time. The distance between silver nanostructures and fluorophore was controlled by the well-established layer-by-layer (LbL) technique constructing alternate layers of poly (allylamine hydrochloride) (PAH) and poly (sodium 4-styrenesulfonate) (PSS). The Rhodamine 6G (R6G) molecules were electrostatically attached to the outmost negative charged PSS layer. The fluorescence enhancement factor of flowerlike nanostructure substrate increased firstly and then decreased with the distance increasing. The best enhanced fluorescence intensity of 71 fold was obtained at a distance of 5.2 nm from the surface of flowerlike silver nanostructure. The distance for best enhancement effect is an instructive parameter for the applications of such substrates and could be used in the practical MEF applications with the flowerlike nanostructure substrates fabricated in such way which is simple, controllable and cost-effective.

DEVELOPMENT OF CRYSTALLINE CERAMICS FOR IMMOBILIZATION OF ADVANCED FUEL CYCLE REPROCESSING WASTES

Energy Technology Data Exchange (ETDEWEB)

Fox, K.; Brinkman, K.

2011-09-22

The Savannah River National Laboratory (SRNL) is developing crystalline ceramic waste forms to incorporate CS/LN/TM high Mo waste streams consisting of perovskite, hollandite, pyrochlore, zirconolite, and powellite phase assemblages. Simple raw materials, including Al{sub 2}O{sub 3}, CaO, and TiO{sub 2} were combined with simulated waste components to produce multiphase crystalline ceramics. Fiscal Year 2011 (FY11) activities included (i) expanding the compositional range by varying waste loading and fabrication of compositions rich in TiO{sub 2}, (ii) exploring the processing parameters of ceramics produced by the melt and crystallize process, (iii) synthesis and characterization of select individual phases of powellite and hollandite that are the target hosts for radionuclides of Mo, Cs, and Rb, and (iv) evaluating the durability and radiation stability of single and multi-phase ceramic waste forms. Two fabrication methods, including melting and crystallizing, and pressing and sintering, were used with the intent of studying phase evolution under various sintering conditions. An analysis of the XRD and SEM/EDS results indicates that the targeted crystalline phases of the FY11 compositions consisting of pyrochlore, perovskite, hollandite, zirconolite, and powellite were formed by both press and sinter and melt and crystallize processing methods. An evaluation of crystalline phase formation versus melt processing conditions revealed that hollandite, perovskite, zirconolite, and residual TiO{sub 2} phases formed regardless of cooling rate, demonstrating the robust nature of this process for crystalline phase development. The multiphase ceramic composition CSLNTM-06 demonstrated good resistance to proton beam irradiation. Electron irradiation studies on the single phase CaMoO{sub 4} (a component of the multiphase waste form) suggested that this material exhibits stability to 1000 years at anticipated self-irradiation doses (2 x 10{sup 10}-2 x 10{sup 11} Gy), but that

New theories for smectic and nematic liquid crystalline polymers

International Nuclear Information System (INIS)

Dowell, F.

1987-01-01

A summary of results from new statistical-physics theories for both backbone and side-chain liquid crystalline polymers (LCPs) and for mixtures with LCPs is presented. Thermodynamic and molecular ordering properties (including odd-even effects) have been calculated as a function of pressure, density, temperature, and molecule chemical structures (including degree of polymerization and the following properties of the chemical structures of the repeat units: lengths and shapes, intra-chain rotation energies, dipole moments, site-site polarizabilities and Lennard-Jones potentials, etc.) in nematic and multiple smectic-A LC phases and in the isotropic liquid phase. These theories can also be applied to combined LCPs. Since these theories have no ad hoc or arbitrarily adjustable parameters, these theories have been used to design new LCPs and new solvents and to predict and explain properties

Characterization of crystalline phases of (U,Er)O{sub 2} pellets by X-Ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Sansone, Alberto E.S.; Riella, Humberto G.; Carvalho, Elita F. U. de, E-mail: alberto.sansone@usp.br, E-mail: riella@enq.ufsc.br, E-mail: elitaucf@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil)

2017-07-01

Optimization of nuclear fuel for use in pressurized water reactors can be achieved by obtaining higher burnups. This, however, requires the excess reactivity caused by increasing the fuel's enrichment to be taken into account, which can be done by introducing burnable absorbers into the UO{sub 2} fuel pellets themselves. Some of the rare earth elements have thermal and mechanical properties that make them appropriate for use inside the reactor. In order to characterize the microstructure of erbium-doped UO{sub 2} fuel, sintered UO{sub 2}-Er{sub 2}O{sub 3} pellets were prepared, with Er{sub 2}O{sub 3} content ranging from 1:0 to 9:8wt%, and analyzed by X-ray diffraction to determine whether the composite formed solid solutions and, if so, evaluate the lattice parameter as a function of erbia concentration. While XRD analysis showed the Er{sub 2}O{sub 3} completely dissolved in the UO{sub 2} powder, it also evidenced the emergence of a second fluorite-type phase, whose phase fraction increases and lattice parameter decreases with increasing erbia concentration. Analysis of the diffraction patterns showed this emerging phase has the same crystalline structure as the host lattice, but with a smaller lattice parameter, and a smaller domain size. These results are compatible with the phenomenon of defect segregation, which consists in the formation of microdomains with a higher concentration of defects. (author)

Crystalline Silica Primer

Science.gov (United States)

,

1992-01-01

Crystalline silica is the scientific name for a group of minerals composed of silicon and oxygen. The term crystalline refers to the fact that the oxygen and silicon atoms are arranged in a threedimensional repeating pattern. This group of minerals has shaped human history since the beginning of civilization. From the sand used for making glass to the piezoelectric quartz crystals used in advanced communication systems, crystalline silica has been a part of our technological development. Crystalline silica's pervasiveness in our technology is matched only by its abundance in nature. It's found in samples from every geologic era and from every location around the globe. Scientists have known for decades that prolonged and excessive exposure to crystalline silica dust in mining environments can cause silicosis, a noncancerous lung disease. During the 1980's, studies were conducted that suggested that crystalline silica also was a carcinogen. As a result of these findings, crystalline silica has been regulated under the Occupational Safety and Health Administration's (OSHA) Hazard Communication Standard (HCS). Under HCS, OSHAregulated businesses that use materials containing 0.1% or more crystalline silica must follow Federal guidelines concerning hazard communication and worker training. Although the HCS does not require that samples be analyzed for crystalline silica, mineral suppliers or OSHAregulated

Concerted Electrodeposition and Alloying of Antimony on Indium Electrodes for Selective Formation of Crystalline Indium Antimonide.

Science.gov (United States)

Fahrenkrug, Eli; Rafson, Jessica; Lancaster, Mitchell; Maldonado, Stephen

2017-09-19

The direct preparation of crystalline indium antimonide (InSb) by the electrodeposition of antimony (Sb) onto indium (In) working electrodes has been demonstrated. When Sb is electrodeposited from dilute aqueous electrolytes containing dissolved Sb 2 O 3 , an alloying reaction is possible between Sb and In if any surface oxide films are first thoroughly removed from the electrode. The presented Raman spectra detail the interplay between the formation of crystalline InSb and the accumulation of Sb as either amorphous or crystalline aggregates on the electrode surface as a function of time, temperature, potential, and electrolyte composition. Electron and optical microscopies confirm that under a range of conditions, the preparation of a uniform and phase-pure InSb film is possible. The cumulative results highlight this methodology as a simple yet potent strategy for the synthesis of intermetallic compounds of interest.

Weak antilocalization and conductance fluctuation in a single crystalline Bi nanowire

International Nuclear Information System (INIS)

Kim, Jeongmin; Lee, Seunghyun; Kim, MinGin; Lee, Wooyoung; Brovman, Yuri M.; Kim, Philip

2014-01-01

We present the low temperature transport properties of an individual single-crystalline Bi nanowire grown by the on-film formation of nanowire method. The temperature dependent resistance and magnetoresistance of Bi nanowires were investigated. The phase coherence length was obtained from the fluctuation pattern of the magnetoresistance below 40 K using universal conductance fluctuation theory. The obtained temperature dependence of phase coherence length and the fluctuation amplitude indicates that the transport of electrons shows 2-dimensional characteristics originating from the surface states. The temperature dependence of the coherence length derived from the weak antilocalization effect using the Hikami–Larkin–Nagaoka model is consistent with that from the universal conductance fluctuations theory

Crystalline and amorphous H2O on Charon

Science.gov (United States)

Dalle Ore, Cristina M.; Cruikshank, Dale P.; Grundy, Will M.; Ennico, Kimberly; Olkin, Catherine B.; Stern, S. Alan; Young, Leslie A.; Weaver, Harold A.

2015-11-01

Charon, the largest satellite of Pluto, is a gray-colored icy world covered mostly in H2O ice, with spectral evidence for NH3, as previously reported (Cook et al. 2007, Astrophys. J. 663, 1406-1419 Merlin, et al. 2010, Icarus, 210, 930; Cook, et al. 2014, AAS/Division for Planetary Sciences Meeting Abstracts, 46, #401.04). Images from the New Horizons spacecraft reveal a surface with terrains of widely different ages and a moderate degree of localized coloration. The presence of H2O ice in its crystalline form (Brown & Calvin 2000 Science 287, 107-109; Buie & Grundy 2000 Icarus 148, 324-339; Merlin et al, 2010) along with NH3 is consistent with a fresh surface.The phase of H2O ice is a key tracer of variations in temperature and physical conditions on the surface of outer Solar System objects. At Charon’s surface temperature H2O is expected to be amorphous, but ground-based observations (e.g., Merlin et al. 2010) show a clearly crystalline signature. From laboratory experiments it is known that amorphous H2O ice becomes crystalline at temperatures of ~130 K. Other mechanisms that can change the phase of the ice from amorphous to crystalline include micro-meteoritic bombardment (Porter et al. 2010, Icarus, 208, 492) or resurfacing processes such as cryovolcanism.New Horizons observed Charon with the LEISA imaging spectrometer, part of the Ralph instrument (Reuter, D.C., Stern, S.A., Scherrer, J., et al. 2008, Space Science Reviews, 140, 129). Making use of high spatial resolution (better than 10 km/px) and spectral resolving power of 240 in the wavelength range 1.25-2.5 µm, and 560 in the range 2.1-2.25 µm, we report on an analysis of the phase of H2O ice on parts of Charon’s surface with a view to investigate the recent history and evolution of this small but intriguing object.This work was supported by NASA’s New Horizons project.

Visible diffraction from quasi-crystalline arrays of carbon nanotubes

Science.gov (United States)

Butler, Timothy P.; Butt, Haider; Wilkinson, Timothy D.; Amaratunga, Gehan A. J.

2015-08-01

Large area arrays of vertically-aligned carbon nanotubes (VACNTs) are patterned in a quasi-crystalline Penrose tile arrangement through electron beam lithography definition of Ni catalyst dots and subsequent nanotube growth by plasma-enhanced chemical vapour deposition. When illuminated with a 532 nm laser beam high-quality and remarkable diffraction patterns are seen. The diffraction is well matched to theoretical calculations which assume apertures to be present at the location of the VACNTs for transmitted light. The results show that VACNTs act as diffractive elements in reflection and can be used as spatially phased arrays for producing tailored diffraction patterns.

Metamict state radiation damage in crystalline materials

International Nuclear Information System (INIS)

Haaker, R.F.; Ewing, R.C.

1979-01-01

Metamict minerals provide an excellent basis for the evaluation of long-term radiation damage effects, particularly such changes in physical and chemical properties as microfracturing, hydrothermal alteration, and solubility. This paper summarizes pertinent literature on metamictization and proposes experiments that are critical to the elucidation of structural controls on radiation damage in crystalline phases

Dicyanamide Salts that Adopt Smectic, Columnar, or Bicontinuous Cubic Liquid-Crystalline Mesophases.

Science.gov (United States)

Park, Geonhui; Goossens, Karel; Shin, Tae Joo; Bielawski, Christopher W

2018-04-25

Although dicyanamide (i.e., [N(CN) 2 ] - ) has been commonly used to obtain low-viscosity, halogen-free, room-temperature ionic liquids, liquid-crystalline salts containing such anions have remained virtually unexplored. Here we report a series of amphiphilic dicyanamide salts that, depending on their structures and compositions, adopt smectic, columnar, or bicontinuous cubic thermotropic liquid-crystalline mesophases, even at room temperature in some cases. Their thermal properties were explored by polarized light optical microscopy, differential scanning calorimetry, thermogravimetric analysis (including evolved gas analysis), and variable-temperature synchrotron X-ray diffraction. Comparison of the thermal phase characteristics of these new liquid-crystalline salts featuring "V-shaped" [N(CN) 2 ] - anions with those of structural analogues containing [SCN] - , [BF 4 ] - , [PF 6 ] - , or [CF 3 SO 3 ] - anions indicated that not only the size of the counterion but also its shape should be considered in the development of mesomorphic salts. Collectively, these discoveries may be expected to facilitate the design of thermotropic ionic liquid crystals that form inverted-type bicontinuous cubic and other sophisticated liquid-crystalline phases. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Silicon Monoxide at 1 atm and Elevated Pressures: Crystalline or Amorphous?

KAUST Repository

AlKaabi, Khalid

2014-03-05

The absence of a crystalline SiO phase under ordinary conditions is an anomaly in the sequence of group 14 monoxides. We explore theoretically ordered ground-state and amorphous structures for SiO at P = 1 atm, and crystalline phases also at pressures up to 200 GPa. Several competitive ground-state P = 1 atm structures are found, perforce with Si-Si bonds, and possessing Si-O-Si bridges similar to those in silica (SiO2) polymorphs. The most stable of these static structures is enthalpically just a little more stable than a calculated random bond model of amorphous SiO. In that model we find no segregation into regions of amorphous Si and amorphous SiO2. The P = 1 atm structures are all semiconducting. As the pressure is increased, intriguing new crystalline structures evolve, incorporating Si triangular nets or strips and stishovite-like regions. A heat of formation of crystalline SiO is computed; it is found to be the most negative of all the group 14 monoxides. Yet, given the stability of SiO2, the disproportionation 2SiO (s) → Si(s)+SiO2(s) is exothermic, falling right into the series of group 14 monoxides, and ranging from a highly negative ΔH of disproportionation for CO to highly positive for PbO. There is no major change in the heat of disproportionation with pressure, i.e., no range of stability of SiO with respect to SiO2. The high-pressure SiO phases are metallic. © 2014 American Chemical Society.

The crystalline-to-amorphous transition in ion-bombarded silicon

International Nuclear Information System (INIS)

Mueller, G.; Kalbitzer, S.

1980-01-01

Hydrogen-free, but defect-rich a-Si can be obtained by ion bombardment of c-Si. The formation of such material has been studied in detail using carrier-removal measurements in the characterization of the bombardment damage. In order to develop an overall view of the disordering process these data are discussed together with results obtained on similar films by Rutherford back-scattering, electron spin resonance, electron microscopy and optical measurements. It is concluded that amorphous material generally evolves from an intermediate crystalline phase supersaturated with point defects. The transition occurs locally at the sites of energetic ion impacts into critically predamaged crystalline material. As a consequence, an amorphous layer is built up from small clusters with dimensions typically of the order of 50 A. From the net expansion of the bombarded layers it is concluded that regions of lower atomic density are locally present, very likely a consequence of a structural mismatch between individual amorphous clusters. In this way a heterogeneous defect structure may build up in these films which determines their electronic properties. (author)

Trilayered Morphology of an ABC Triple Crystalline Triblock Terpolymer

KAUST Repository

Palacios, Jordana K.; Tercjak, Agnieszka; Liu, Guoming; Wang, Dujin; Zhao, Junpeng; Hadjichristidis, Nikolaos; Mü ller, Alejandro J.

2017-01-01

phase in the melt. Two crystallization protocols were employed to create particular crystalline morphologies. In both cases, the isothermal crystallization of the PLA block is induced first (at 81 °C, a temperature above the melting points of both PCL

Electric properties of a liquid crystalline methacrylic polymer

International Nuclear Information System (INIS)

Gonzalez Henriquez, C.M.; Soto Bustamante, E.A.; Haase, W.

2009-01-01

The formation of a liquid crystalline polymer called PM6R8 is reported. The polymers were obtained with different concentration of AIBN as initiator (0.25, 0.50, 1 and 2mg in 5ml solution) and time of reaction (24, 36 and 48 hours). The compounds were characterized by 1 H-NMR, differential thermal analysis (DTA), X-ray diffractometer and pyroelectric measurements. For the polymer a smectic C 2 phase occurs over broad temperature range, which is a possible explanation for the electric signal. The arrangement of the molecules within of the crystalline lattice is related with the kinetic of precipitation. (author)

Synthesis and Supramolecular Chemistry of Novel Liquid Crystalline Crown Ether-Substituted Phthalocyanines : Toward Molecular Wires and Molecular Ionoelectronics

NARCIS (Netherlands)

Nostrum, Cornelus F. van; Picken, Stephen J.; Schouten, Arend-Jan; Nolte, Roeland J.M.

1995-01-01

The synthesis of the metal-free and the dihydroxysilicon derivatives of tetrakis[4’,5’-bis(decoxy)benzo-18-crown-6]phthalocyanine is described. The metal-free phthalocyanine is liquid crystalline and exhibits a crystalline phase to mesophase transition at 148 °C. The structures of the crystalline

Phase transformation of 316L stainless steel from wire to fiber

International Nuclear Information System (INIS)

Shyr, Tien-Wei; Shie, Jing-Wen; Huang, Shih-Ju; Yang, Shun-Tung; Hwang, Weng-Sing

2010-01-01

In this work, quantitative crystalline phase analysis of 316L stainless steel from wire to fiber using a multi-pass cold drawing process was studied using the Rietveld whole XRD profile fitting technique. The different diameters of the fibers: 179, 112, 75, 50, 34, 20, and 8 μm, were produced from an as-received wire with a diameter of 190 μm. The crystalline phases were identified using MDI Jade 5.0 software. The volume fractions of crystalline phases were estimated using a Materials Analysis Using Diffraction software. XRD analysis revealed that the crystal structure of as-received wire is essentially a γ-austenite crystalline phase. The phase transformation occurred during the 316L stainless steel from wire to fiber. Three crystalline phases such as γ-austenite, α'-martensite, and sigma phase of the fine fiber were observed. A cold drawing accelerates the sigma phase precipitates, particularly during the heat treatment of the fiber.

Nanoscale phase-change materials and devices

International Nuclear Information System (INIS)

Zheng, Qinghui; Wang, Yuxi; Zhu, Jia

2017-01-01

Phase-change materials (PCMs) that can reversibly transit between crystalline and amorphous phases have been widely used for data-storage and other functional devices. As PCMs scale down to nanoscale, the properties and transition procedures can vary, bringing both challenges and opportunities in scalability. This article describes the physical structures, properties and applications of nanoscale phase-change materials and devices. The limitations and performance of scaling properties in phase-change materials and the recent progress and challenges in phase-change devices are presented. At the end, some emerging applications related to phase-change materials are also introduced. (topical review)

Nanoscale phase-change materials and devices

Science.gov (United States)

Zheng, Qinghui; Wang, Yuxi; Zhu, Jia

2017-06-01

Phase-change materials (PCMs) that can reversibly transit between crystalline and amorphous phases have been widely used for data-storage and other functional devices. As PCMs scale down to nanoscale, the properties and transition procedures can vary, bringing both challenges and opportunities in scalability. This article describes the physical structures, properties and applications of nanoscale phase-change materials and devices. The limitations and performance of scaling properties in phase-change materials and the recent progress and challenges in phase-change devices are presented. At the end, some emerging applications related to phase-change materials are also introduced.

Gamma-irradiation effects to posttranslational modification and chaperon function of bovine α-crystalline

International Nuclear Information System (INIS)

Hiroki, K; Matsumoto, S.; Awakura, M.; Fujii, N.

2001-01-01

The formation of D-asparate (D-Asp) in αA-crystallin of the aged human eye and the cataract crystalline lens has been reported. Crystalline lens keeps the transparency by forming α-crystallin which consists of a high order association of αA-and αB-crystallin. Bovine α-crystallin for investigating a chaperone function which protects the crystalline lens from getting to opaque or disordered agglutination with heat or light, is irradiated by gamma-ray (Co-60) at 0, 1, 2, 3, and 4 kGy, respectively. The irradiated bovine α-crystallin are analyzed with electrophoresis, gel permeation chromatograph, and UV absorption spectrometer for checking on the agglutination and the isomerization of macromolecules. Oxidation of methionine residues (Met-1) and isomerization of asparagine residues (Asp-151) in the αA-crystallin are ascertained in molecular levels with reversed phase liquid chromatography. The Met-1 oxidation and the Asp-151 isomerization depend on gamma-irradiation doses. It is thought that OH radical and H radical in water generated by the irradiation lead to the oxidation and the isomerization. Stereoinversion in the α-crystallin following to such a chemical change are considered to lead to the agglutination of polymer and the reduction of chaperon function. (M. Suetake)

Lateral topological crystalline insulator heterostructure

Science.gov (United States)

Sun, Qilong; Dai, Ying; Niu, Chengwang; Ma, Yandong; Wei, Wei; Yu, Lin; Huang, Baibiao

2017-06-01

The emergence of lateral heterostructures fabricated by two-dimensional building blocks brings many exciting realms in material science and device physics. Enriching available nanomaterials for creating such heterostructures and enabling the underlying new physics is highly coveted for the integration of next-generation devices. Here, we report a breakthrough in lateral heterostructure based on the monolayer square transition-metal dichalcogenides MX2 (M  =  W, X  =  S/Se) modules. Our results reveal that the MX2 lateral heterostructure (1S-MX2 LHS) can possess excellent thermal and dynamical stability. Remarkably, the highly desired two-dimensional topological crystalline insulator phase is confirmed by the calculated mirror Chern number {{n}\\text{M}}=-1 . A nontrivial band gap of 65 meV is obtained with SOC, indicating the potential for room-temperature observation and applications. The topologically protected edge states emerge at the edges of two different nanoribbons between the bulk band gap, which is consistent with the mirror Chern number. In addition, a strain-induced topological phase transition in 1S-MX2 LHS is also revealed, endowing the potential utilities in electronics and spintronics. Our predictions not only introduce new member and vitality into the studies of lateral heterostructures, but also highlight the promise of lateral heterostructure as appealing topological crystalline insulator platforms with excellent stability for future devices.

Lens proteome map and alpha-crystallin profile of the catfish Rita rita.

Science.gov (United States)

Mohanty, Bimal Prasanna; Bhattacharjee, Soma; Das, Manas Kumar

2011-02-01

Crystallins are a diverse group of proteins that constitute nearly 90% of the total soluble proteins of the vertebrate eye lens and these tightly packed crystallins are responsible for transparency of the lens. These proteins have been studied in different model and non-model species for understanding the modifications they undergo with ageing that lead to cataract, a disease of protein aggregation. In the present investigation, we studied the lens crystallin profile of the tropical freshwater catfish Rita rita. Profiles of lens crystallins were analyzed and crystallin proteome maps of Rita rita were generated for the first time. alphaA-crystallins, member of the alpha-crystallin family, which are molecular chaperons and play crucial role in maintaining lens transparency were identified by 1- and 2-D immunoblot analysis with anti-alphaA-crystallin antibody. Two protein bands of 19-20 kDa were identified as alphaA-crystallins on 1-D immunoblots and these bands separated into 10 discrete spots on 2-D immunoblot. However, anti-alphaB-crystallin and antiphospho-alphaB-crystallin antibodies were not able to detect any immunoreactive bands on 1- and 2-D immunoblots, indicating alphaB-crystallin was either absent or present in extremely low concentration in Rita rita lens. Thus, Rita rita alpha-crystallins are more like that of the catfish Clarias batrachus and the mammal kangaroo in its alphaA- and alphaB-crystallin content (contain low amount from 5-9% of alphaB-crystallin) and unlike the dogfish, zebrafish, human, bovine and mouse alpha-crystallins (contain higher amount of alphaB-crystallin from 25% in mouse and bovine to 85% in dogfish). Results of the present study can be the baseline information for stimulating further investigation on Rita rita lens crystallins for comparative lens proteomics. Comparing and contrasting the alpha-crystallins of the dogfish and Rita rita may provide valuable information on the functional attributes of alphaA- and alphaB-isoforms, as

Phase relations in crystalline ceramic nuclear waste forms the system UO/sub 2 + x/-CeO2-ZrO2-ThO2 at 12000C in air

International Nuclear Information System (INIS)

Pepin, J.G.; McCarthy, G.J.

1981-01-01

Steady-state phase relations in the system UO/sub 2 + x/-CeO 2 -ZrO 2 -ThO 2 were determined for application to phase relations in the high-level crystalline ceramic nuclear waste form Supercalcine-Ceramics. Samples were treated at 1200 0 C at an oxygen partial pressure of 0.21 atm and a total pressure of 1 atm. Phase assemblages were found to be composed of cubic solid solutions of the flourite structure type, solid solutions based on ZrO 2 , and orthorhombic solid solutions based on U 3 O 8

Angle-adjustable density field formulation for the modeling of crystalline microstructure

Science.gov (United States)

Wang, Zi-Le; Liu, Zhirong; Huang, Zhi-Feng

2018-05-01

A continuum density field formulation with particle-scale resolution is constructed to simultaneously incorporate the orientation dependence of interparticle interactions and the rotational invariance of the system, a fundamental but challenging issue in modeling the structure and dynamics of a broad range of material systems across variable scales. This generalized phase field crystal-type approach is based upon the complete expansion of particle direct correlation functions and the concept of isotropic tensors. Through applications to the modeling of various two- and three-dimensional crystalline structures, our study demonstrates the capability of bond-angle control in this continuum field theory and its effects on the emergence of ordered phases, and provides a systematic way of performing tunable angle analyses for crystalline microstructures.

Crystalline and amorphous solid phases in the classical hard sphere system

International Nuclear Information System (INIS)

Aguilera-Navarro, V.C.; Souza, R.F.T.; Llano, M. de; Mini, S.

1984-01-01

A qualitative crystalline, as well as amorphous, solid behavior is simultaneously extracted for a classical hard sphere system from its known virial power series expansion in the density augmented by only one further virial coefficient, taken from an extrapolated estimate of the Cauchy-Hadamard radius of convergence criterion. Results are compared with computer simulation data. (Author) [pt

Characterization of crystalline structures in Opuntia ficus-indica

OpenAIRE

Contreras-Padilla, Margarita; Rivera-Muñoz, Eric M.; Gutiérrez-Cortez, Elsa; del López, Alicia Real; Rodríguez-García, Mario Enrique

2014-01-01

This research studies the crystalline compounds present in nopal (Opuntia ficus-indica) cladodes. The identification of the crystalline structures was performed using X-ray diffraction, scanning electron microscopy, mass spectrometry, and Fourier transform infrared spectroscopy. The crystalline structures identified were calcium carbonate (calcite) [CaCO3], calcium-magnesium bicarbonate [CaMg(CO3)2], magnesium oxide [MgO], calcium oxalate monohydrate [Ca(C2O4)•(H2O)], potassium peroxydiphosph...

Induction of Liquid Crystallinity by Self-Assembled Molecular Boxes

NARCIS (Netherlands)

Piermattei, A.; Giesbers, M.; Marcelis, A.T.M.; Mendes, E.; Picken, S.J.; Crego-Calama, M.; Reinhoudt, D.N.

2006-01-01

In a hierarchical process, three molecules of a calix[4]arene (blue) and six of barbituric or cyanuric acid (green) assemble into double-rosette boxes, which assemble into columns, which in turn assemble into columnar liquid-crystalline phases (see picture). The resulting mesophases have a

Rheological phase synthesis of nanosized α-LiFeO_2 with higher crystallinity degree for cathode material of lithium-ion batteries

International Nuclear Information System (INIS)

Liu, Haowen; Ji, Panyin; Han, Xiaoyan

2016-01-01

In this paper, rheological phase method has been successfully applied to synthesize nanosized α-LiFeO_2, a promising cathode material of lithium-ion batteries. The formation, structure and morphology of the as-prepared powder were characterized by Thermogravimetric and differential thermal analyses (TGA/DTA), X-ray diffraction (XRD), Fourier transform infrared (FTIR) and Scanning electron microscopy (SEM). The particle size of the obtained α-LiFeO_2 ranged from 100 to 300 nm. It exhibited an initial discharge capacity 169 mAh g"−"1 at 0.1 C between 1.5 and 4.3 V, especially excellent cycling retention from the 10th to the 50th cycle (96.8%) between 1.5 and 4.3 V. The higher crystallinity degree might be responsible for the cyclability improvement. - Highlights: • α-LiFeO_2 with higher crystallinity degree has been synthesized. • The obtained samples were investigated by TGA/DTA, FTIR, SEM, XRD. • The prepared α-LiFeO_2 indicated excellent cycling retention.

Autokinase activity of alpha-crystallin inhibits its specific interaction with the DOTIS element in the murine gamma D/E/F-crystallin promoter in vitro.

Science.gov (United States)

Pietrowski, D; Graw, J

1997-10-01

In a previous report we demonstrated the in vitro interaction of alpha-crystallin with an element downstream of the transcriptional initiation site (DOTIS) of the murine gamma E-crystallin promoter (Pietrowski et al., 1994, Gene 144, 171-178). The aim of the present study was to investigate the influence of phosphorylation on this particular interaction. We could demonstrate that the autophosphorylation of alpha-crystallin leads to a complete loss of interaction with the DOTIS element, however, PKA-dependent phosphorylation of alpha-crystallin is without effect on the interaction. It is hypothesized that the autophosphorylation of alpha-crystallin might be involved in regulatory mechanisms of the murine gamma D/E/F-crystallin gene expression.

Liquid crystalline phase as a probe for crystal engineering of lactose: carrier for pulmonary drug delivery.

Science.gov (United States)

Patil, Sharvil S; Mahadik, Kakasaheb R; Paradkar, Anant R

2015-02-20

The current work was undertaken to assess suitability of liquid crystalline phase for engineering of lactose crystals and their utility as a carrier in dry powder inhalation formulations. Saturated lactose solution was poured in molten glyceryl monooleate which subsequently transformed into gel. The gel microstructure was analyzed by PPL microscopy and SAXS. Lactose particles recovered from gels after 48 h were analyzed for polymorphism using techniques such as FTIR, XRD, DSC and TGA. Particle size, morphology and aerosolisation properties of prepared lactose were analyzed using Anderson cascade impactor. In situ seeding followed by growth of lactose crystals took place in gels with cubic microstructure as revealed by PPL microscopy and SAXS. Elongated (size ∼ 71 μm) lactose particles with smooth surface containing mixture of α and β-lactose was recovered from gel, however percentage of α-lactose was more as compared to β-lactose. The aerosolisation parameters such as RD, ED, %FPF and % recovery of lactose recovered from gel (LPL) were found to be comparable to Respitose® ML001. Thus LC phase (cubic) can be used for engineering of lactose crystals so as to obtain particles with smooth surface, high elongation ratio and further they can be used as carrier in DPI formulations. Copyright © 2014 Elsevier B.V. All rights reserved.

Crystalline beams: Theory, experiments, and proposals

International Nuclear Information System (INIS)

Ruggiero, A.G.

1995-01-01

Crystalline Beams are an ordered state of an ensemble of ions, circulating in a storage ring, with very small velocity fluctuations. They can be obtained from ordinary warm ion beams with the application of intense cooling techniques (stochastic, electron, laser). A phase transition occurs when sufficiently small velocity spreads are reached, freezing the particle-to-particle spacing in strings, Zigzags, and helices ... The properties and the feasibility of Crystalline Beams depend on the choice of the lattice of the Storage Ring. There are three issues closely related to the design of the Storage Ring; namely: the determination of Equilibrium Configurations, Confinement Conditions, and Stability Conditions. Of particular concern is the effect of the trajectory curvature and of the beam momentum spread, since they set the requirements on the amount of momentum cooling, on the focussing, and on the distribution of bending in the lattice of the storage ring. The practical demonstration of Crystalline Beams may create the basis for an advanced technology for particle accelerators, where the limitations due to Coulomb intrabeam scattering and space-charge forces would finally be brought under control, so that beams of ions, more dense than normal, can be achieved for a variety of new applications

Solubility of crystalline organic compounds in high and low molecular weight amorphous matrices above and below the glass transition by zero enthalpy extrapolation.

Science.gov (United States)

Amharar, Youness; Curtin, Vincent; Gallagher, Kieran H; Healy, Anne Marie

2014-09-10

Pharmaceutical applications which require knowledge of the solubility of a crystalline compound in an amorphous matrix are abundant in the literature. Several methods that allow the determination of such data have been reported, but so far have only been applicable to amorphous polymers above the glass transition of the resulting composites. The current work presents, for the first time, a reliable method for the determination of the solubility of crystalline pharmaceutical compounds in high and low molecular weight amorphous matrices at the glass transition and at room temperature (i.e. below the glass transition temperature), respectively. The solubilities of mannitol and indomethacin in polyvinyl pyrrolidone (PVP) K15 and PVP K25, respectively were measured at different temperatures. Mixtures of undissolved crystalline solute and saturated amorphous phase were obtained by annealing at a given temperature. The solubility at this temperature was then obtained by measuring the melting enthalpy of the crystalline phase, plotting it as a function of composition and extrapolating to zero enthalpy. This new method yielded results in accordance with the predictions reported in the literature. The method was also adapted for the measurement of the solubility of crystalline low molecular weight excipients in amorphous active pharmaceutical ingredients (APIs). The solubility of mannitol, glutaric acid and adipic acid in both indomethacin and sulfadimidine was experimentally determined and successfully compared with the difference between their respective calculated Hildebrand solubility parameters. As expected from the calculations, the dicarboxylic acids exhibited a high solubility in both amorphous indomethacin and sulfadimidine, whereas mannitol was almost insoluble in the same amorphous phases at room temperature. This work constitutes the first report of the methodology for determining an experimentally measured solubility for a low molecular weight crystalline solute

Liquid phase and supercooled liquid phase welding of bulk metallic glasses

International Nuclear Information System (INIS)

Kawamura, Y.

2004-01-01

Recent progress on welding in bulk metallic glasses (BMGs) has been reviewed. BMGs have been successfully welded to BMGs or crystalline metals by liquid phase welding using explosion, pulse-current and electron-beam methods, and by supercooled liquid phase welding using friction method. Successful welding of the liquid phase methods was due to the high glass-forming ability of the BMGs and the high concentration of welding energy in these methods. In contrast, the supercooled liquid phase welding was successful due to the thermally stable supercooled liquid state of the BMGs and the superplasticity and viscous flow of the supercooled liquid. The successful welding of BMGs to BMGs and crystalline materials is promising for the future development of BMGs as engineering materials

Directed self-assembly of liquid crystalline blue-phases into ideal single-crystals

Science.gov (United States)

Martínez-González, Jose A.; Li, Xiao; Sadati, Monirosadat; Zhou, Ye; Zhang, Rui; Nealey, Paul F.; de Pablo, Juan J.

2017-06-01

Chiral nematic liquid crystals are known to form blue phases--liquid states of matter that exhibit ordered cubic arrangements of topological defects. Blue-phase specimens, however, are generally polycrystalline, consisting of randomly oriented domains that limit their performance in applications. A strategy that relies on nano-patterned substrates is presented here for preparation of stable, macroscopic single-crystal blue-phase materials. Different template designs are conceived to exert control over different planes of the blue-phase lattice orientation with respect to the underlying substrate. Experiments are then used to demonstrate that it is indeed possible to create stable single-crystal blue-phase domains with the desired orientation over large regions. These results provide a potential avenue to fully exploit the electro-optical properties of blue phases, which have been hindered by the existence of grain boundaries.

Biocompatibility of crystalline opal nanoparticles.

Science.gov (United States)

Hernández-Ortiz, Marlen; Acosta-Torres, Laura S; Hernández-Padrón, Genoveva; Mendieta, Alicia I; Bernal, Rodolfo; Cruz-Vázquez, Catalina; Castaño, Victor M

2012-10-22

Silica nanoparticles are being developed as a host of biomedical and biotechnological applications. For this reason, there are more studies about biocompatibility of silica with amorphous and crystalline structure. Except hydrated silica (opal), despite is presents directly and indirectly in humans. Two sizes of crystalline opal nanoparticles were investigated in this work under criteria of toxicology. In particular, cytotoxic and genotoxic effects caused by opal nanoparticles (80 and 120 nm) were evaluated in cultured mouse cells via a set of bioassays, methylthiazolyldiphenyl-tetrazolium-bromide (MTT) and 5-bromo-2'-deoxyuridine (BrdU). 3T3-NIH cells were incubated for 24 and 72 h in contact with nanocrystalline opal particles, not presented significant statistically difference in the results of cytotoxicity. Genotoxicity tests of crystalline opal nanoparticles were performed by the BrdU assay on the same cultured cells for 24 h incubation. The reduction of BrdU-incorporated cells indicates that nanocrystalline opal exposure did not caused unrepairable damage DNA. There is no relationship between that particles size and MTT reduction, as well as BrdU incorporation, such that the opal particles did not induce cytotoxic effect and genotoxicity in cultured mouse cells.

Crystalline phase, profile characteristics and spectroscopic properties of Er3+/Tm3+-diffusion-codoped LiNbO3 crystal

International Nuclear Information System (INIS)

Sun, Wen-Bao; Zhang, Zi-Bo; Sun, Hong-Xue; Wong, Wing-Han; Yu, Dao-Yin; Pun, Edwin Yue-Bun

2017-01-01

Er 3+ /Tm 3+ -codoped LiNbO 3 crystal was prepared by co-diffusion of stacked Er and Tm metal films coated onto surface of off-congruent, Li-deficient LiNbO 3 substrate produced by Li-poor vapor transport equilibration technique. The crystalline phase on the diffused surface was analyzed by X-ray single-crystal diffraction. The Er 3+ and Tm 3+ profile characteristics were studied by secondary ion mass spectrometry. The emission spectra were measured under the 980 or 795 nm wavelength excitation, and the emission and absorption cross section spectra were calculated based upon McCumber theory. The lifetimes of some emissions were measured. The results show that the Er 3+ and Tm 3+ ions presence is in the form of LiNbO 3 phase. Both ions obey to Gaussian profile with a diffusion depth 21.5 μm. In the codoping case, both ions keep their respective spectroscopic features of only doping case and do not affect each other. The codoping enables to combine the wavelength emissions of both ions and the resultant emission band in the telecommunication window around 1.5 μm is as wide as 150 nm, providing the possibility of S+C+L broadband amplification by employing commercial 980 and 795 nm laser diodes as the pump sources. The Er 3+ /Tm 3+ -codoped LN is a promising host material for integrated optics. - Graphical abstract: Er 3+ /Tm 3+ -codoped LiNbO 3 crystal was prepared by co-diffusion of stacked Er and Tm metal films. The crystalline phase, diffusion profile and cross section spectra of Er 3+ and Tm 3+ ions in the diffusion layer have been investigated. The results show that the presence of Er 3+ and Tm 3+ ions is in the LiNbO 3 phase. Both ions follow Gaussian profile with a diffusion depth 21.5 μm. Both ions keep their respective spectroscopic features of only doping case. Excited state absorption is the dominant process for 795-nm-upconvered fluorescence of Tm 3+ . The codoping enables to combine the wavelength emissions of both ions and provide the possibility of S

Terahertz time domain spectroscopy of amorphous and crystalline aluminum oxide nanostructures synthesized by thermal decomposition of AACH

Energy Technology Data Exchange (ETDEWEB)

Mehboob, Shoaib, E-mail: smehboob@pieas.edu.pk [National Center for Nanotechnology, Department of Metallurgy and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences (PIEAS), Nilore 45650, Islamabad (Pakistan); Mehmood, Mazhar [National Center for Nanotechnology, Department of Metallurgy and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences (PIEAS), Nilore 45650, Islamabad (Pakistan); Ahmed, Mushtaq [National Institute of Lasers and Optronics (NILOP), Nilore 45650, Islamabad (Pakistan); Ahmad, Jamil; Tanvir, Muhammad Tauseef [National Center for Nanotechnology, Department of Metallurgy and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences (PIEAS), Nilore 45650, Islamabad (Pakistan); Ahmad, Izhar [National Institute of Lasers and Optronics (NILOP), Nilore 45650, Islamabad (Pakistan); Hassan, Syed Mujtaba ul [National Center for Nanotechnology, Department of Metallurgy and Materials Engineering, Pakistan Institute of Engineering and Applied Sciences (PIEAS), Nilore 45650, Islamabad (Pakistan)

2017-04-15

The objective of this work is to study the changes in optical and dielectric properties with the transformation of aluminum ammonium carbonate hydroxide (AACH) to α-alumina, using terahertz time domain spectroscopy (THz-TDS). The nanostructured AACH was synthesized by hydrothermal treatment of the raw chemicals at 140 °C for 12 h. This AACH was then calcined at different temperatures. The AACH was decomposed to amorphous phase at 400 °C and transformed to δ* + α-alumina at 1000 °C. Finally, the crystalline α-alumina was achieved at 1200 °C. X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy were employed to identify the phases formed after calcination. The morphology of samples was studied using scanning electron microscopy (SEM), which revealed that the AACH sample had rod-like morphology which was retained in the calcined samples. THz-TDS measurements showed that AACH had lowest refractive index in the frequency range of measurements. The refractive index at 0.1 THZ increased from 2.41 for AACH to 2.58 for the amorphous phase and to 2.87 for the crystalline α-alumina. The real part of complex permittivity increased with the calcination temperature. Further, the absorption coefficient was highest for AACH, which reduced with calcination temperature. The amorphous phase had higher absorption coefficient than the crystalline alumina. - Highlights: • Aluminum oxide nanostructures were obtained by thermal decomposition of AACH. • Crystalline phases of aluminum oxide have higher refractive index than that of amorphous phase. • The removal of heavier ionic species led to the lower absorption of THz radiations.

Analysis of the corium phases by X-ray diffraction; Analyses des phases du corium par diffraction des rayons X

Energy Technology Data Exchange (ETDEWEB)

Trillon, G

2004-07-01

In the framework of the severe accidents R and D studies led by CEA, the better knowledge of the corium behaviour, corium coming from the melting of a nuclear reactor, are fundamental stakes in order to master this kind of accident. Among the available physical properties of the corium, the nature of the final crystalline compounds which have been made during the, cooling gives information about its solidification and its stabilisation. X-Rays Diffraction is the reference method used in order to characterize the corium coming from the different facilities of the European platform PLINIUS of CEA-Cadarache. This work presents the scientific approach that has been followed in order to obtain information both qualitative and quantitative on corium, using X-Rays Diffraction. For instance, a specific method for identifying U{sub 1-x}Zr{sub x}O{sub 2} solid solutions has been developed, and the validity of quantitative analysis of corium crystalline phases using the Rietveld method (with an internal standard), has been tested. This last method has also permitted semi-quantitative measurements of amorphous phases within corium. For these studies, analysis of prototypical corium has been conducted on samples coming from the experiences led on the different facilities of the PLINIUS platform. These analysis allowed for the first time to obtain quantitative data of the corium crystalline phases in order to validate thermodynamic databases and has been used to estimate the thereto-physical properties of the corium. New information on crystalline phases of corium has also been found, especially for the UO{sub 2}-ZrO{sub 2} pseudo binary system. (author)

Corrosion resistance of amorphous and crystalline Pd40Ni40P20 alloys in aqueous solutions

DEFF Research Database (Denmark)

Wu, Y.F.; Chiang, Wen-Chi; Chu, J.

2006-01-01

The corrosion behaviors of amorphous and crystalline Pd40Ni40P20 alloys in various aqueous solutions are reported in this paper. The corrosion resistance of crystalline (annealed) Pd40Ni40P20 is better than that of amorphous Pd40Ni40P20 in various corrosive solutions, due to crystalline Pd40Ni40P20...... and mainly consists of inert Pd5P2, NI3P, Ni2Pd2P and noble Pd phases. These inert and noble properties result in a higher corrosion resistance in crystalline Pd40Ni40P20....

Assessment of analytical techniques for characterization of crystalline clopidogrel forms in patent applications

Directory of Open Access Journals (Sweden)

Luiz Marcelo Lira

2014-04-01

Full Text Available The aim of this study was to evaluate two important aspects of patent applications of crystalline forms of drugs: (i the physicochemical characterization of the crystalline forms; and (ii the procedure for preparing crystals of the blockbuster drug clopidogrel. To this end, searches were conducted using online patent databases. The results showed that: (i the majority of patent applications for clopidogrel crystalline forms failed to comply with proposed Brazilian Patent Office guidelines. This was primarily due to insufficient number of analytical techniques evaluating the crystalline phase. In addition, some patent applications lacked assessment of chemical/crystallography purity; (ii use of more than two analytical techniques is important; and (iii the crystallization procedure for clopidogrel bisulfate form II were irreproducible based on the procedure given in the patent application.

neutron transmission through crystalline materials

International Nuclear Information System (INIS)

El Mesiry, M.S.

2011-01-01

The aim of the present work is to study the neutron transmission through crystalline materials. Therefore a study of pyrolytic graphite (PG) as a highly efficient selective thermal neutron filter and Iron single crystal as a whole one, as well as the applicability of using their polycrystalline powders as a selective cold neutron filters is given. Moreover, the use of PG and iron single crystal as an efficient neutron monochromator is also investigated. An additive formula is given which allows calculating the contribution of the total neutron cross-section including the Bragg scattering from different )(hkl planes to the neutron transmission through crystalline iron and graphite. The formula takes into account their crystalline form. A computer CFe program was developed in order to provide the required calculations for both poly- and single-crystalline iron. The validity of the CFe program was approved from the comparison of the calculated iron cross-section data with the available experimental ones. The CFe program was also adapted to calculate the reflectivity from iron single crystal when it used as a neutron monochromator The computer package GRAPHITE, developed in Neutron Physics laboratory, Nuclear Research Center, has been used in order to provide the required calculations for crystalline graphite in the neutron energy range from 0.1 meV to 10 eV. A Mono-PG code was added to the computer package GRAPHITE in order to calculate the reflectivity from PG crystal when it used as a neutron monochromator.

Application of NURE data to the study of crystalline rocks in the Wyoming uranium province

International Nuclear Information System (INIS)

Rush, S.M.; Anderson, J.R.; Bennett, J.E.

1983-03-01

The Wyoming uranium province study is a part of the National Uranium Resource Evaluation (NURE) program conducted by Bendix Field Engineering Corporation for the US Department of Energy. The ultimate objective of the entire project is the integration of NURE and other data sources to develop a model for a uranium province centered in Wyoming. This paper presents results of the first phase of the Wyoming uranium province study, which comprises characterization of the crystalline rocks of the study area using NURE hydrogeochemical and stream-sediment data, aerial radiometric and magnetic data, and new data generated for zircons from intrusive rocks in the study area. The results of this study indicate that the stream-sediment, aerial radiometric, aerial magnetic, and zircon data are useful in characterization of the crystalline rocks of the uranium province. The methods used in this project can be applied in two ways toward the recognition of a uranium province: (1) to locate major uranium deposits and occurrences, and (2) to generally identify different crystalline rock types, particularly those that could represent significant uranium source rocks. 14 figures, 8 tables

[Representation and mathematical analysis of human crystalline lens].

Science.gov (United States)

Tălu, Stefan; Giovanzana, Stefano; Tălu, Mihai

2011-01-01

The surface of human crystalline lens can be described and analyzed using mathematical models based on parametric representations, used in biomechanical studies and 3D solid modeling of the lens. The mathematical models used in lens biomechanics allow the study and the behavior of crystalline lens on variables and complex dynamic loads. Also, the lens biomechanics has the potential to improve the results in the development of intraocular lenses and cataract surgery. The paper presents the most representative mathematical models currently used for the modeling of human crystalline lens, both optically and biomechanically.

Structural studies of different types of ferroelectric liquid crystalline substances

Czech Academy of Sciences Publication Activity Database

Obadović, D.Ž.; Stojanović, M.; Bubnov, Alexej; Éber, N.; Cvetinov, M.; Vajda, A.

2011-01-01

Roč. 35, č. 1 (2011), s. 3-13 ISSN 1450-7404 R&D Projects: GA AV ČR IAA100100911; GA AV ČR(CZ) GA202/09/0047; GA ČR(CZ) GAP204/11/0723 Grant - others:RFASI(RU) 02.740.11.5166 Institutional research plan: CEZ:AV0Z10100520 Keywords : ferroelectric liquid crystals * phase transition * structure of liquid crystalline phases * molecular parameters Subject RIV: BM - Solid Matter Physics ; Magnetism

AN INFRARED SPECTROSCOPIC STUDY OF AMORPHOUS AND CRYSTALLINE ICES OF VINYLACETYLENE AND IMPLICATIONS FOR SATURN'S SATELLITE TITAN

International Nuclear Information System (INIS)

Kim, Y. S.; Kaiser, R. I.

2009-01-01

Laboratory infrared spectra of amorphous and crystalline vinylacetylene ices were recorded in the range of 7000-400 cm -1 . The spectra showed several amorphous features in the ice deposited at 10 K, which were then utilized to monitor a phase transition between 93 ± 1 K to form the crystalline structure. Successive heating allows monitoring of the sublimation profile of the vinylacetylene sample in the range of 101-120 K. Considering Titan's surface temperature of 94 K, vinylacetylene ice is likely to be crystalline. Analogous studies on related planetary-bound molecules such as triaceylene and cyanoacetylene may be further warranted to gain better perspectives into the composition of the condensed phases in the Titan's atmosphere (aerosol particles) and of Titan's surface. Based on our studies, we recommend utilizing the ν 1 and ν 16 //ν 11 /ν 17 fundamentals at about 3300 and 650 cm -1 to determine if solid vinylacetylene is crystalline or amorphous on Titan.

Micromechanical modeling of the elasto-viscoplastic bahavior of semi-crystalline polymers

NARCIS (Netherlands)

Dommelen, van J.A.W.; Parks, D.M.; Boyce, M.C.; Brekelmans, W.A.M.; Baaijens, F.P.T.

2003-01-01

A micromechanically-based constitutive model for the elasto-viscoplastic deformationand texture evolution of semi-crystalline polymers is developed. The modelidealizes the microstructure to consist of an aggregate of two-phase layered compositeinclusions. A new framework for the composite inclusion

Photoluminescence at room temperature of liquid-phase crystallized silicon on glass

Directory of Open Access Journals (Sweden)

Michael Vetter

2016-12-01

Full Text Available The room temperature photoluminescence (PL spectrum due band-to-band recombination in an only 8 μm thick liquid-phase crystallized silicon on glass solar cell absorber is measured over 3 orders of magnitude with a thin 400 μm thick optical fiber directly coupled to the spectrometer. High PL signal is achieved by the possibility to capture the PL spectrum very near to the silicon surface. The spectra measured within microcrystals of the absorber present the same features as spectra of crystalline silicon wafers without showing defect luminescence indicating the high electronic material quality of the liquid-phase multi-crystalline layer after hydrogen plasma treatment.

Thermodynamics, core-level spectroscopy, morphology, and work function study of different TiCl3 crystalline phases: A theoretical approach

International Nuclear Information System (INIS)

Guo, Lei; Li, Wenpo; Feng, Wenjiang; Zhang, Zhipeng; Zhang, Shengtao

2014-01-01

Highlights: • Three TiCl 3 polymorphs materials were systematically investigated. • Structural results agree well with experimental and available theoretical data. • Morphological and thermodynamic properties were computed and analyzed. • Core-level spectroscopy and work function were obtained. - Abstract: Computer simulation has been widely applied in many research fields owing to its superiority in revealing an insight understanding of the phenomena. In this work, the thermodynamics, core-level spectroscopy, morphology, and work function of TiCl 3 with three different crystalline phases (α, β, and γ) have been comprehensively computed employing the Materials Studio package. Our computational DFT-D approach gives a structural description of the TiCl 3 phases in good agreement with experiment. The core-level spectroscopy confirmed that α, β, and γ modifications for TiCl 3 have lightly affected on the valences of the constitutional elements. A series of possible growth faces (h k l) were deduced using the classic Bravais–Friedel–Donnay–Harker (BFDH) model. We conclude that the sequence of work function for (0 0 1) surface was α > β ≈ γ

Nano crystalline Bi{sub 2}(VO{sub 5}) phases in lithium bismuth borate glasses containing mixed vanadium-nickel oxides

Energy Technology Data Exchange (ETDEWEB)

Yadav, Arti, E-mail: artidabhur@gmail.com; Khasa, S.; Dahiya, M. S. [Department of Physics, Deenbandhu Chhotu Ram University of Science and Technology, Murthal, India-131039 (India); Agarwal, A. [Department of Applied Physics, G. J. University of Science and Technology, Hisar, India-125001 (India)

2016-05-23

Glass composition 7V{sub 2}O{sub 5}·23Li{sub 2}O·20Bi{sub 2}O{sub 3}·50B{sub 2}O{sub 3} and x(2NiO·V{sub 2}O{sub 5})·(30-x)Li{sub 2}O·20Bi{sub 2}O{sub 3}·50B{sub 2}O{sub 3}, x=0, 2, 5, 7 and 10, were produced by conventional melt quenching technique. The quenched amorphous glass samples were annealed at temperatures 400°C and 500°C for 6 hours. The Bi{sub 2}(VO{sub 5}) crystallite were grown in all prepared glass matrix. Tn vanadium lithium bismuth borate glass (annealed), the some phrase of V{sub 2}O{sub 5}-crystal were observed along with the nano crystalline Bi{sub 2}(VO{sub 5}) phase. The sharp peaks in FTTR spectra of all annealed compositions were also compatible with the XRD diffraction peaks of the system under investigation. Average crystalline size (D) of the Bi{sub 2}(VO{sub 5}) nano-crystallite was ~30 nm for samples annealed at 400°C and ~42 nm for samples annealed at 500°C. Lattice parameter and the lattice strain for all the samples was also calculated corresponding to the (113) plane of Bi{sub 2}(VO{sub 5}) crystallite.

Design rules for phase-change materials in data storage applications

Energy Technology Data Exchange (ETDEWEB)

Lencer, Dominic; Salinga, Martin [I. Physikalisches Institut IA, RWTH Aachen University, 52056 Aachen (Germany); Wuttig, Matthias [I. Physikalisches Institut IA, RWTH Aachen University, 52056 Aachen (Germany); Juelich-Aachen Research Alliance, Section Fundamentals of Future Information Technology (JARA-FIT), 52056 Aachen (Germany)

2011-05-10

Phase-change materials can rapidly and reversibly be switched between an amorphous and a crystalline phase. Since both phases are characterized by very different optical and electrical properties, these materials can be employed for rewritable optical and electrical data storage. Hence, there are considerable efforts to identify suitable materials, and to optimize them with respect to specific applications. Design rules that can explain why the materials identified so far enable phase-change based devices would hence be very beneficial. This article describes materials that have been successfully employed and discusses common features regarding both typical structures and bonding mechanisms. It is shown that typical structural motifs and electronic properties can be found in the crystalline state that are indicative for resonant bonding, from which the employed contrast originates. The occurence of resonance is linked to the composition, thus providing a design rule for phase-change materials. This understanding helps to unravel characteristic properties such as electrical and thermal conductivity which are discussed in the subsequent section. Then, turning to the transition kinetics between the phases, the current understanding and modeling of the processes of amorphization and crystallization are discussed. Finally, present approaches for improved high-capacity optical discs and fast non-volatile electrical memories, that hold the potential to succeed present-day's Flash memory, are presented. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Design rules for phase-change materials in data storage applications.

Science.gov (United States)

Lencer, Dominic; Salinga, Martin; Wuttig, Matthias

2011-05-10

Phase-change materials can rapidly and reversibly be switched between an amorphous and a crystalline phase. Since both phases are characterized by very different optical and electrical properties, these materials can be employed for rewritable optical and electrical data storage. Hence, there are considerable efforts to identify suitable materials, and to optimize them with respect to specific applications. Design rules that can explain why the materials identified so far enable phase-change based devices would hence be very beneficial. This article describes materials that have been successfully employed and dicusses common features regarding both typical structures and bonding mechanisms. It is shown that typical structural motifs and electronic properties can be found in the crystalline state that are indicative for resonant bonding, from which the employed contrast originates. The occurence of resonance is linked to the composition, thus providing a design rule for phase-change materials. This understanding helps to unravel characteristic properties such as electrical and thermal conductivity which are discussed in the subsequent section. Then, turning to the transition kinetics between the phases, the current understanding and modeling of the processes of amorphization and crystallization are discussed. Finally, present approaches for improved high-capacity optical discs and fast non-volatile electrical memories, that hold the potential to succeed present-day's Flash memory, are presented. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Induction of liquid crystallinity of by self-assembled molecular boxes

NARCIS (Netherlands)

Piermattei, A.; Giesbers, Marcel; Marcelis, Antonius T.M.; Mendes, Eduardo; Picken, Stephen J.; Crego Calama, Mercedes; Reinhoudt, David

2006-01-01

Jewel-box: In a hierarchical process, three molecules of a calix[4]arene (blue) and six of barbituric or cyanuric acid (green) assemble into double-rosette boxes, which assemble into columns, which in turn assemble into columnar liquid-crystalline phases (see picture). The resulting mesophases have

Proceedings of the workshop on crystalline ion beams

International Nuclear Information System (INIS)

Hasse, R.W.; Hofmann, I.; Liesen, D.

1989-04-01

The workshop consisted of mainly invited and some contributed papers. More informal discussions took place in three working groups on the following topics: beam cooling techniques; diagnostics of crystalline beams; storage rings for crystalline beams. The present volume collects all papers as well as the summaries of the working groups. See hints under the relevant topics. (orig./HSI)

Crystalline phase, microstructure, and aqueous stability of zirconolite-barium borosilicate glass-ceramics for immobilization of simulated sulfate bearing high-level liquid waste

Science.gov (United States)

Wu, Lang; Xiao, Jizong; Wang, Xin; Teng, Yuancheng; Li, Yuxiang; Liao, Qilong

2018-01-01

The crystalline phase, microstructure, and aqueous stability of zirconolite-barium borosilicate glass-ceramics with different content (0-30 wt %) of simulated sulfate bearing high-level liquid waste (HLLW) were evaluated. The sulfate phase segregation in vitrification process was also investigated. The results show that the glass-ceramics with 0-20 wt% of HLLW possess mainly zirconolite phase along with a small amount baddeleyite phase. The amount of perovskite crystals increases while the amount of zirconolite crystals decreases when the HLLW content increases from 20 to 30 wt%. For the samples with 20-30 wt% HLLW, yellow phase was observed during the vitrification process and it disappeared after melting at 1150 °C for 2 h. The viscosity of the sample with 16 wt% HLLW (HLLW-16) is about 27 dPa·s at 1150 °C. The addition of a certain amount (≤20 wt %) of HLLW has no significant change on the aqueous stability of glass-ceramic waste forms. After 28 days, the 90 °C PCT-type normalized leaching rates of Na, B, Si, and La of the sample HLLW-16 are 7.23 × 10-3, 1.57 × 10-3, 8.06 × 10-4, and 1.23 × 10-4 g·m-2·d-1, respectively.

Crystalline anhydrous {alpha},{alpha}-trehalose (polymorph {beta}) and crystalline dihydrate {alpha},{alpha}-trehalose: A calorimetric study

Energy Technology Data Exchange (ETDEWEB)

Pinto, Susana S. [Centro de Quimica Estrutural, Complexo Interdisciplinar, Instituto Superior Tecnico, 1049-001 Lisbon (Portugal)]. E-mail: susanapinto@ist.utl.pt; Diogo, Herminio P. [Centro de Quimica Estrutural, Complexo Interdisciplinar, Instituto Superior Tecnico, 1049-001 Lisbon (Portugal)]. E-mail: hdiogo@ist.utl.pt; Moura-Ramos, Joaquim J. [Centro de Quimica-Fisica Molecular, Complexo Interdisciplinar, Instituto Superior Tecnico, 1049-001 Lisbon (Portugal)]. E-mail: mouraramos@ist.utl.pt

2006-09-15

The mean values of the standard massic energy of combustion of crystalline anhydrous {alpha},{alpha}-trehalose (C{sub 12}H{sub 22}O{sub 11}, polymorph {beta}) and crystalline dihydrate {alpha},{alpha}-trehalose (C{sub 12}H{sub 26}O{sub 13}) measured by static-bomb combustion calorimetry in oxygen, at the temperature T=298.15K, are {delta}{sub c}u{sup o}=-(16434.05+/-4.50)J.g{sup -1} and {delta}{sub c}u{sup o}=-(14816.05+/-3.52)J.g{sup -1}, respectively. The standard (p{sup o}=0.1MPa) molar enthalpy of formation of these compounds were derived from the corresponding standard molar enthalpies of combustion, respectively, {delta}{sub f}H{sub m}{sup o} (C{sub 12}H{sub 22}O{sub 11},cr)=-(2240.9+/-3.9)kJ.mol{sup -1}, and {delta}{sub f}H{sub m}{sup o} (C{sub 12}H{sub 26}O{sub 13},cr)=-(2832.6+/-3.6)kJ.mol{sup -1}. The values of the standard enthalpies of formation obtained in this work, together with data on enthalpies of solution at infinite dilution ({delta}{sub sol}H{sup {approx}}) for crystalline dihydrate and amorphous anhydrous trehalose, allow a better insight on the thermodynamic description of the trehalose system which can provide, together with the future research on the subject, a contribution for understanding the metabolism in several organisms, as well as the phase transition between the different polymorphs.

Production of TiO2 crystalline nanoparticles by laser ablation in ethanol

International Nuclear Information System (INIS)

Boutinguiza, M.; Rodriguez-Gonzalez, B.; Val, J. del; Comesaña, R.; Lusquiños, F.; Pou, J.

2012-01-01

Highlights: ► Nanoparticles of TiO 2 have been obtained by laser ablation of Ti submerged in ethanol using CW laser. ► The use of CW laser contributes to control the size distribution and to complete oxidation. ► The particles formation mechanism is the melting and rapid solidification. - Abstract: TiO 2 nanoparticles have received a special attention due to their applications in many different fields, such as catalysis, biomedical engineering, and energy conversion in solar cells. In this paper we report on the production of TiO 2 nanoparticles by means of a pulsed laser to ablate titanium metallic target submerged in ethanol. The results show that titanium crystalline dioxide nanoparticles can be obtained in a narrow size distribution. Crystalline phases, morphology and optical properties of the obtained colloidal nanoparticles were characterized by means of X-ray diffraction (XRD), transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM) and UV/vis absorption spectroscopy. The produced particles consisted mainly of titanium oxide crystalline nanoparticles showing spherical shape with most diameters ranging from 5 to 50 nm. Nanoparticles are polycrystalline exhibiting the coexistence of the three main phases with the predominance of brookite.

Western Wind and Solar Integration Study Phase 2 (Presentation)

Energy Technology Data Exchange (ETDEWEB)

Lew, D.; Brinkman, G.; Ibanez, E.; Kumar, N.; Lefton, S.; Jordan, G.; Venkataraman, S.; King, J.

2013-06-01

This presentation accompanies Phase 2 of the Western Wind and Solar Integration Study, a follow-on to Phase 1, which examined the operational impacts of high penetrations of variable renewable generation on the electric power system in the West and was one of the largest variable generation studies to date. High penetrations of variable generation can induce cycling of fossil-fueled generators. Cycling leads to wear-and-tear costs and changes in emissions. Phase 2 calculated these costs and emissions, and simulated grid operations for a year to investigate the detailed impact of variable generation on the fossil-fueled fleet. The presentation highlights the scope of the study and results.

Gel–sol synthesis and aging effect on highly crystalline anatase ...

Indian Academy of Sciences (India)

Gel–sol synthesis and aging effect on highly crystalline anatase nanopowder .... −1 in static air. To identify the gel-phase, it was mixed with D2O to form sample solution ... Ti(OH)4 chemical composition is produced this way: Ti3. [. (OC2H4)3 N. ].

Amorphization induced by chemical disorder in crystalline NiZr2: A molecular-dynamics study based on an n-body potential

International Nuclear Information System (INIS)

Massobrio, C.; Pontikis, V.; Martin, G.

1989-01-01

We present the first molecular-dynamics study of the amorphization of a crystalline alloy (NiZr 2 ) induced by chemical disorder. We used a n-body potential in conjunction with isobaric-isothermal molecular dynamics. The behavior of the pair distribution function suggests that the instability leading to the amorphous state is a first-order phase transformation

Microfluidic Manufacturing of Polymeric Nanoparticles: Comparing Flow Control of Multiscale Structure in Single-Phase Staggered Herringbone and Two-Phase Reactors.

Science.gov (United States)

Xu, Zheqi; Lu, Changhai; Riordon, Jason; Sinton, David; Moffitt, Matthew G

2016-12-06

We compare the microfluidic manufacturing of polycaprolactone-block-poly(ethylene oxide) (PCL-b-PEO) nanoparticles (NPs) in a single-phase staggered herringbone (SHB) mixer and in a two-phase gas-liquid segmented mixer. NPs generated from two different copolymer compositions in both reactors and at three different flow rates, along with NPs generated using a conventional bulk method, are compared with respect to morphologies, dimensions, and internal crystallinities. Our work, the first direct comparison between alternate microfluidic NP synthesis methods, shows three key findings: (i) NP morphologies and dimensions produced in the bulk are different from those produced in a microfluidic mixer, whereas NP crystallinities produced in the bulk and in the SHB mixer are similar; (ii) NP morphologies, dimensions, and crystallinities produced in the single-phase SHB and two-phase mixers at the lowest flow rate are similar; and (iii) NP morphologies, dimensions, and crystallinities change with flow rate in the two-phase mixer but not in the single-phase SHB mixer. These findings provide new insights into the relative roles of mixing and shear in the formation and flow-directed processing of polymeric NPs in microfluidics, informing future reactor designs for manufacturing NPs of low polydispersity and controlled multiscale structure and function.

Precise Ab-initio prediction of terahertz vibrational modes in crystalline systems

DEFF Research Database (Denmark)

Jepsen, Peter Uhd; Clark, Stewart J.

2007-01-01

We use a combination of experimental THz time-domain spectroscopy and ab-initio density functional perturbative theory to accurately predict the terahertz vibrational spectrum of molecules in the crystalline phase. Our calculations show that distinct vibrational modes found in solid-state materials...

Polymorphism of 1,2,3-trichloropropane: NQR and DTA study of the ordered and disordered phases

International Nuclear Information System (INIS)

Veglio, N; Zuriaga, M J; Monti, G A

2004-01-01

1,2,3-Trichloropropane was investigated by means of nuclear quadrupole resonance (NQR) and differential thermal analysis (DTA). One amorphous state and two crystalline monotropic phases (forms I and II) were found depending on the thermal history of the sample and only one is stable up to the melting point. The different phases were characterized by 35 Cl NQR. It was concluded that form I is an ordered crystal with only one molecular conformation present in the unit cell while form II is a disordered state with at least two molecules present in the unit cell. In the two crystalline phases, the presence of group reorientations (-CH 2 Cl) and molecule reorientations as a whole can be inferred from 35 Cl spin-lattice relaxation times (T 1 ) with activation energies of 33 and 42 kJ mol -1 , respectively, in form I. In form II, these activation energies are in the range 20-29 kJ mol -1 indicating that this polymorph is less compactly crystalline packed in comparison to form I

Polymorphism of 1,2,3-trichloropropane: NQR and DTA study of the ordered and disordered phases

Science.gov (United States)

Veglio, N.; Zuriaga, M. J.; Monti1, G. A.

2004-11-01

1,2,3-Trichloropropane was investigated by means of nuclear quadrupole resonance (NQR) and differential thermal analysis (DTA). One amorphous state and two crystalline monotropic phases (forms I and II) were found depending on the thermal history of the sample and only one is stable up to the melting point. The different phases were characterized by 35Cl NQR. It was concluded that form I is an ordered crystal with only one molecular conformation present in the unit cell while form II is a disordered state with at least two molecules present in the unit cell. In the two crystalline phases, the presence of group reorientations (-CH2Cl) and molecule reorientations as a whole can be inferred from 35Cl spin-lattice relaxation times (T1) with activation energies of 33 and 42 kJ mol-1, respectively, in form I. In form II, these activation energies are in the range 20-29 kJ mol-1 indicating that this polymorph is less compactly crystalline packed in comparison to form I.

Defects in alpha and gamma crystalline nylon6: A computational study

Directory of Open Access Journals (Sweden)

Saeid Arabnejad

2015-10-01

Full Text Available We present a comparative Density Functional Tight Binding study of structures, energetics, and vibrational properties of α and γ crystalline phases of nylon6 with different types of defects: single and double chain vacancies and interstitials. The defect formation energies are: for a single vacancy 0.66 and 0.64 kcal/mol per monomer, and for an interstitial strand 1.35 and 2.45 kcal/mol per monomer in the α and γ phases, respectively. The presence of defects does not materially influence the relative stability of the two phases, within the accuracy of the method. The inclusion of phononic contributions has a negligible effect. The calculations show that even if it were possible to synthesize the pure phases of nylon6, the defects will be easily induced at room temperature, because vacancy formation energies in both phases are of the order of kT at room temperature. The formation of interstitial defects, on the contrary, requires the energy equivalent to multiple kT values and is much less likely; it is also much less probable in the γ phase than in α. The vibration spectra do not show significant sensitivity to the presence of these defects.

Size and Crystallinity in Protein-Templated Inorganic Nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Jolley, Craig C.; Uchida, Masaki; Reichhardt, Courtney; Harrington, Richard; Kang, Sebyung; Klem, Michael T.; Parise, John B.; Douglas, Trevor (SBU); (Montana)

2010-12-01

Protein cages such as ferritins and virus capsids have been used as containers to synthesize a wide variety of protein-templated inorganic nanoparticles. While identification of the inorganic crystal phase has been successful in some cases, very little is known about the detailed nanoscale structure of the inorganic component. We have used pair distribution function analysis of total X-ray scattering to measure the crystalline domain size in nanoparticles of ferrihydrite, {gamma}-Fe{sub 2}O{sub 3}, Mn{sub 3}O{sub 4}, CoPt, and FePt grown inside 24-meric ferritin cages from H. sapiens and P. furiosus. The material properties of these protein-templated nanoparticles are influenced by processes at a variety of length scales: the chemistry of the material determines the precise arrangement of atoms at very short distances, while the interior volume of the protein cage constrains the maximum nanoparticle size attainable. At intermediate length scales, the size of coherent crystalline domains appears to be constrained by the arrangement of crystal nucleation sites on the interior of the cage. On the basis of these observations, some potential synthetic strategies for the control of crystalline domain size in protein-templated nanoparticles are suggested.

Early hydration of portland cement with crystalline mineral additions

International Nuclear Information System (INIS)

Rahhal, V.; Talero, R.

2005-01-01

This research presents the effects of finely divided crystalline mineral additions (quartz and limestone), commonly known as filler, on the early hydration of portland cements with very different mineralogical composition. The used techniques to study the early hydration of blended cements were conduction calorimeter, hydraulicity (Fratini's test), non-evaporable water and X-ray diffraction. Results showed that the stimulation and the dilution effects increase when the percentage of crystalline mineral additions used is increased. Depending on the replacement proportion, the mineralogical cement composition and the type of crystalline addition, at 2 days, the prevalence of the dilution effect or the stimulation effect shows that crystalline mineral additions could act as sites of heat dissipation or heat stimulation, respectively

Novel polypyrrole films with excellent crystallinity and good thermal stability

International Nuclear Information System (INIS)

Jeeju, Pullarkat P.; Varma, Sreekanth J.; Francis Xavier, Puthampadath A.; Sajimol, Augustine M.; Jayalekshmi, Sankaran

2012-01-01

Polypyrrole has drawn a lot of interest due to its high thermal and environmental stability in addition to high electrical conductivity. The present work highlights the enhanced crystallinity of polypyrrole films prepared from the redoped sample solution. Initially hydrochloric acid doped polypyrrole was prepared by chemical oxidative polymerization of pyrrole using ammonium peroxidisulphate as oxidant. The doped polypyrrole was dedoped using ammonia solution and then redoped with camphor sulphonic acid. Films were coated on ultrasonically cleaned glass substrates from the redoped sample solution in meta-cresol. The enhanced crystallinity of the polypyrrole films has been established from X-ray diffraction (XRD) studies. The room temperature electrical conductivity of the redoped polypyrrole film is about 30 times higher than that of the hydrochloric acid doped pellet sample. The results of Raman spectroscopy, Differential scanning calorimetry (DSC) and Thermogravimetric analysis (TGA) of the samples support the enhancement in crystallinity. Percentage crystallinity of the samples is estimated from XRD and DSC data. The present work is significant, since crystallinity of films is an important parameter for selecting polymers for specific applications. - Highlights: ► Polypyrrole films redoped with CSA have been prepared from meta-cresol solution. ► The solution casted films exhibit semi-crystallinity and good thermal stability. ► Percentage crystallinity estimated using XRD and DSC analysis is about 65%. ► Raman studies support the enhancement in crystallinity based on XRD and DSC data. ► The conductivity of the film is 30 times higher than that of HCl doped sample.

Novel polypyrrole films with excellent crystallinity and good thermal stability

Energy Technology Data Exchange (ETDEWEB)

Jeeju, Pullarkat P., E-mail: jeejupp@gmail.com [Division for Research in Advanced Materials, Department of Physics, Cochin University of Science and Technology, Cochin-22, Kerala (India); Varma, Sreekanth J.; Francis Xavier, Puthampadath A.; Sajimol, Augustine M. [Division for Research in Advanced Materials, Department of Physics, Cochin University of Science and Technology, Cochin-22, Kerala (India); Jayalekshmi, Sankaran, E-mail: jayalekshmi@cusat.ac.in [Division for Research in Advanced Materials, Department of Physics, Cochin University of Science and Technology, Cochin-22, Kerala (India)

2012-06-15

Polypyrrole has drawn a lot of interest due to its high thermal and environmental stability in addition to high electrical conductivity. The present work highlights the enhanced crystallinity of polypyrrole films prepared from the redoped sample solution. Initially hydrochloric acid doped polypyrrole was prepared by chemical oxidative polymerization of pyrrole using ammonium peroxidisulphate as oxidant. The doped polypyrrole was dedoped using ammonia solution and then redoped with camphor sulphonic acid. Films were coated on ultrasonically cleaned glass substrates from the redoped sample solution in meta-cresol. The enhanced crystallinity of the polypyrrole films has been established from X-ray diffraction (XRD) studies. The room temperature electrical conductivity of the redoped polypyrrole film is about 30 times higher than that of the hydrochloric acid doped pellet sample. The results of Raman spectroscopy, Differential scanning calorimetry (DSC) and Thermogravimetric analysis (TGA) of the samples support the enhancement in crystallinity. Percentage crystallinity of the samples is estimated from XRD and DSC data. The present work is significant, since crystallinity of films is an important parameter for selecting polymers for specific applications. - Highlights: Black-Right-Pointing-Pointer Polypyrrole films redoped with CSA have been prepared from meta-cresol solution. Black-Right-Pointing-Pointer The solution casted films exhibit semi-crystallinity and good thermal stability. Black-Right-Pointing-Pointer Percentage crystallinity estimated using XRD and DSC analysis is about 65%. Black-Right-Pointing-Pointer Raman studies support the enhancement in crystallinity based on XRD and DSC data. Black-Right-Pointing-Pointer The conductivity of the film is 30 times higher than that of HCl doped sample.

Preparation of Fluorine-Doped TiO2 Photocatalysts with Controlled Crystalline Structure

Directory of Open Access Journals (Sweden)

N. Todorova

2008-01-01

Full Text Available Nanocrystalline F-doped TiO2 powders were prepared by sol-gel route. The thermal behavior of the powders was recorded by DTA/TG technique. The crystalline phase of the fluorinated TiO2 powders was determined by X-ray diffraction technique. It was demonstrated that F-doping using CF3COOH favors the formation of rutile along with anatase phase even at low temperature. Moreover, the rutile's phase content increases with the increase of the quantity of the fluorine precursor in the starting solution. The surface area of the powders and the pore size distribution were studied by N2 adsorption-desorption using BET and BJH methods. X-ray photoelectron spectroscopy (XPS revealed that the fluorine is presented in the TiO2 powders mainly as metal fluoride in quantities ∼16 at %. The F-doped TiO2 showed a red-shift absorption in UV-vis region which was attributed to the increased content of rutile phase in the powders. The powders exhibited enhanced photocatalytic activity in decomposition of acetone.

Synthesis, characterization and photoluminescence properties of Dy{sup 3+}-doped nano-crystalline SnO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Pillai, Sreejarani K.; Sikhwivhilu, Lucky M. [National Centre for Nano-Structured Materials, CSIR, PO Box 395, Pretoria 0001 (South Africa); Hillie, Thembela K., E-mail: thillie@csir.co.za [National Centre for Nano-Structured Materials, CSIR, PO Box 395, Pretoria 0001 (South Africa); Physics Department, University of the Free State, P.O. Box 339, Bloemfontein 9300 (South Africa)

2010-04-15

Nano-crystalline of tin oxide doped with varying wt% of Dy{sup 3+} was prepared using chemical co-precipitation method and characterised by various advanced techniques such as BET-surface area, Fourier transform infrared spectroscopy, X-ray diffraction, Raman spectroscopy and photoluminescence measurements. Analytical results demonstrated that the nanocrystalline tin oxide is in tetragonal crystalline phase and doping with Dy{sup 3+} could inhibit the phase transformation, increases surface area and decreases the crystallite size. The experimental result on photoluminescence characteristics originating from Dy{sup 3+}-doping in nanocrystalline SnO{sub 2} reveals the dependence of the luminescent intensity on dopant concentration.

Influence of energy band alignment in mixed crystalline TiO2 nanotube arrays: good for photocatalysis, bad for electron transfer

Science.gov (United States)

Mohammadpour, Raheleh

2017-12-01

Despite the wide application ranges of TiO2, the precise explanation of the charge transport dynamic through a mixed crystal phase of this semiconductor has remained elusive. Here, in this research, mixed-phase TiO2 nanotube arrays (TNTAs) consisting of anatase and 0-15% rutile phases has been formed through various annealing processes and employed as a photoelectrode of a photovoltaic cell. Wide ranges of optoelectronic experiments have been employed to explore the band alignment position, as well as the depth and density of trap states in TNTAs. Short circuit potential, as well as open circuit potential measurements specified that the band alignment of more than 0.2 eV exists between the anatase and rutile phase Fermi levels, with a higher electron affinity for anatase; this can result in a potential barrier in crystallite interfaces and the deterioration of electron mobility through mixed phase structures. Moreover, a higher density of shallow localized trap states below the conduction band with more depth (133 meV in anatase to 247 meV in 15% rutile phase) and also deep oxygen vacancy traps have been explored upon introducing the rutile phase. Based on our results, employing TiO2 nanotubes as just the electron transport medium in mixed crystalline phases can deteriorate the charge transport mechanism, however, in photocatalytic applications when both electrons and holes are present, a robust charge separation in crystalline anatase/rutile interphases will result in better performances.

Effect of cooling rate on microstructure and deformation behavior of Ti-based metallic glassy/crystalline powders

Energy Technology Data Exchange (ETDEWEB)

Wang, D.J. [State Key Laboratory of Advanced Welding Production Technology, Harbin Institute of Technology, Harbin 150001 (China); School of Mechanical and Mining Engineering, University of Queensland, Brisbane, QLD 4072 (Australia); Huang, Y.J. [State Key Laboratory of Advanced Welding Production Technology, Harbin Institute of Technology, Harbin 150001 (China); Shen, J., E-mail: junshen@hit.edu.cn [State Key Laboratory of Advanced Welding Production Technology, Harbin Institute of Technology, Harbin 150001 (China); Wu, Y.Q.; Huang, H. [School of Mechanical and Mining Engineering, University of Queensland, Brisbane, QLD 4072 (Australia); Zou, J., E-mail: j.zou@uq.edu.au [School of Mechanical and Mining Engineering, University of Queensland, Brisbane, QLD 4072 (Australia); Centre for Microscopy and Microanalysis, University of Queensland, Brisbane, QLD 4072 (Australia)

2010-08-20

The microstructures and deformation behavior of Ti-based metallic powders were comprehensively investigated. It has been found that, with increasing the powder size, the phase constituent alters from pure glassy to glassy with crystalline phases (face centered cubic structured NiSnZr and hexagonal structured Ti{sub 3}Sn phases). Our results suggest that the synergetic effect of the thermodynamics and kinetics determines the subsequent characteristics of the crystalline precipitations. Through comparative nanoindentation tests, it was found that the small powders exhibit more pop-in events and a larger pile-up ratio, suggesting that the plastic deformation of the metallic powders is governed by the combined effects of the free volume and the crystallization, which are determined by the cooling rate.

Reactions and Interactions in Liquid Crystalline Media

Science.gov (United States)

1991-10-30

nematic lyophases of potassium laurate, myristyl tri methylammonium bromide or sodium decylsulfate with 1-decanol and 23 water. A strong retardation of the...crystalline polyacrylate crosslinked elastomers were synthesized. 198c 0 0 96 0 0 0O-(CH12 ) 2 -0O(k 97 Crosslinking, up to 10% of structural units produced...in their isotropic state and they work as the transporting phase for the azo-crown ether molecules. The permeation of K+ from a potassium p

Decoupling of crystalline and conformational degrees of freedom in lipid monolayers

DEFF Research Database (Denmark)

Ipsen, John Hjorth; Mouritsen, Ole G.; Zuckermann, Martin J.

1989-01-01

of variables which describe the orientations of crystalline domains in the solid. The phase behavior of the model as a function of temperature and lateral pressure is explored using mean-field theory and computer-simulation techniques. Attention is paid to the particular interplay between the two types......-formation processes observed along the isotherms in the phase diagram spanned by lateral pressure and area. A description is given of the kinetics of the nonequilibrium phase transitions and the concomitant heterogeneous microstructure of the monolayer. This leads to an explanation of the peculiarities...

Amorphous-crystalline transition in thermoelectric NbO2

International Nuclear Information System (INIS)

Music, Denis; Chen, Yen-Ting; Bliem, Pascal; Geyer, Richard W

2015-01-01

Density functional theory was employed to design enhanced amorphous NbO 2 thermoelectrics. The covalent-ionic nature of Nb–O bonding is identical in amorphous NbO 2 and its crystalline counterpart. However, the Anderson localisation occurs in amorphous NbO 2 , which may affect the transport properties. We calculate a multifold increase in the absolute Seebeck coefficient for the amorphous state. These predictions were critically appraised by measuring the Seebeck coefficient of sputtered amorphous and crystalline NbO 2 thin films with the identical short-range order. The first-order phase transition occurs at approximately 550 °C, but amorphous NbO 2 possesses enhanced transport properties at all temperatures. Amorphous NbO 2 , reaching  −173 μV K −1 , exhibits up to a 29% larger absolute Seebeck coefficient value, thereby validating the predictions. (paper)

Nanomembrane structures having mixed crystalline orientations and compositions

Science.gov (United States)

Lagally, Max G.; Scott, Shelley A.; Savage, Donald E.

2014-08-12

The present nanomembrane structures include a multilayer film comprising a single-crystalline layer of semiconductor material disposed between two other single-crystalline layers of semiconductor material. A plurality of holes extending through the nanomembrane are at least partially, and preferably entirely, filled with a filler material which is also a semiconductor, but which differs from the nanomembrane semiconductor materials in composition, crystal orientation, or both.

Macroscopic polarization in crystalline dielectrics: the geometric phase approach

International Nuclear Information System (INIS)

Resta, R.

1994-01-01

The macroscopic electric polarization of a crystal is often defined as the dipole of a unit cell. In fact, such a dipole moment is ill defined, and the above definition is incorrect. Looking more closely, the quantity generally measured is differential polarization, defined with respect to a ''reference state'' of the same material. Such differential polarizations include either derivatives of the polarization (dielectric permittivity, Born effective charges, piezoelectricity, pyroelectricity) or finite differences (ferroelectricity). On the theoretical side, the differential concept is basic as well. Owing to continuity, a polarization difference is equivalent to a macroscopic current, which is directly accessible to the theory as a bulk property. Polarization is a quantum phenomenon and cannot be treated with a classical model, particularly whenever delocalized valence electrons are present in the dielectric. In a quantum picture, the current is basically a property of the phase of the wave functions, as opposed to the charge, which is a property of their modulus. An elegant and complete theory has recently been developed by King-Smith and Vanderbilt, in which the polarization difference between any two crystal states--in a null electric field--takes the form of a geometric quantum phase. This gives a comprehensive account of this theory, which is relevant for dealing with transverse-optic phonons, piezoelectricity, and ferroelectricity. Its relation to the established concepts of linear-response theory is also discussed. Within the geometric phase approach, the relevant polarization difference occurs as the circuit integral of a Berry connection (or ''vector potential''), while the corresponding curvature (or ''magnetic field'') provides the macroscopic linear response

Amorphous-crystalline interface evolution during Solid Phase Epitaxy Regrowth of SiGe films amorphized by ion implantation

International Nuclear Information System (INIS)

D'Angelo, D.; Piro, A.M.; Mirabella, S.; Bongiorno, C.; Romano, L.; Terrasi, A.; Grimaldi, M.G.

2007-01-01

Transmission Electron Microscopy was combined with Time Resolved Reflectivity to study the amorphous-crystalline (a-c) interface evolution during Solid Phase Epitaxy Regrowth (SPER) of Si 0.83 Ge 0.17 films deposited on Si by Molecular Beam Epitaxy and amorphized with Ge + ion implantation. Starting from the Si/SiGe interface, a 20 nm thick layer regrows free of defects with the same SPER rate of pure Si. The remaining SiGe regrows with planar defects and dislocations, accompanied by a decrease of the SPER velocity. The sample was also studied after implantation with B or P. In these cases, the SPER rate raises following the doping concentration profile, but no difference in the defect-free layer thickness was observed compared to the un-implanted sample. On the other hand, B or P introduction reduces the a-c interface roughness, while B-P co-implantation produces roughness comparable to the un-implanted sample

Total scattering of disordered crystalline functional materials

International Nuclear Information System (INIS)

Shamoto, Shin-Ichi; Kodama, Katsuaki; Iikubo, Satoshi; Taguchi, Tomitsugu

2009-01-01

There are disorders in some modern functional materials. As an example, the crystalline phase of an optical recording material has low thermal conductivity but high electrical conductivity, simultaneously. This contradiction is a challenge to material scientists in designing good functional materials, which should have at least two types of crystallographic sites. One site limits thermal conductivity while the other site carries electrons or holes with high mobility. This problem exists with not only optical recording materials but also thermoelectric materials. The periodic boundary condition gets lost in the disordered parts. This therefore, makes atomic pair distribution function (PDF) analysis with a wide range of real space suitable for investigating the form and size of crystalline parts as well as disordered parts in the material. Pulsed neutron powder diffraction is one of the best tools for use in this new type of emerging research, together with synchrotron X-ray powder diffraction and electron diffraction.

Group theoretical arguments on the Landau theory of second-order phase transitions applied to the phase transitions in some liquid crystals

International Nuclear Information System (INIS)

Rosciszewski, K.

1979-01-01

The phase transitions between liquids and several of the simplest liquid crystalline phases (nematic, cholesteric, and the simplest types of smectic A and smectic C) were studied from the point of view of the group-theoretical arguments of Landau theory. It was shown that the only possible candidates for second-order phase transitions are those between nematic and smectic A, between centrosymmetric nematic and smectic C and between centrosymmetric smectic A and smectic C. Simple types of density functions for liquid crystalline phases are proposed. (author)

Chevrel phases: Past, present and future

International Nuclear Information System (INIS)

Peña, Octavio

2015-01-01

Highlights: • Chevrel phase are reviewed. • Some of the most important families are described. • Crystal structure and synthesis are recalled. • Potential applications are mentioned: batteries, catalysis, thermopower, etc. • Vortex lattices, granularity, current densities, anisotropy, unconventional superconductivity, universal scaling. - Abstract: The ternary molybdenum chalcogenides M x Mo 6 X 8 (X = chalcogen), known as Chevrel phases, constitute an outstanding family of materials presenting numerous and spectacular properties. More than 100 examples of these compounds have been synthesized thanks to their versatile crystal structure. Numerous variants are found, from the binary material formed just by the molybdenum clusters Mo 6 X 8 leaving a three-dimensional lattice where the third element M can be inserted, up to a condensation of clusters giving rise to a monodimensional material. The great interest in these compounds, discovered more than 40 years ago, came from their superconducting critical temperature and upper critical fields (15 K for the former, 50 Tesla at 4.2 K for the latter), both being reasonably high values at the time of their discovery thus opening enormous hopes for their use in the fabrication of magnets. Other fundamental features are found, such as the coexistence of magnetic order with the superconducting state. These features are still of interest for the scientific community, but other potential applications are now foreseen, such as their use in batteries, catalysis and thermopower technology. We recall herein some basic characteristic of Chevrel-phases, mentioning several important families, their crystal structure and mode of elaboration. This contribution being focused on the superconducting properties, we put an accent on some fundamental aspects, such as the structural and electronic transitions, the vortex lattice, their granular behavior, critical current densities, upper field and anisotropy, to finally discuss the

Synthesis of Zr-Si-O-N phases by carbonitriding reaction. Characterization of crystalline phases using the Rietveld method

Directory of Open Access Journals (Sweden)

Mazzoni A.D.

2001-01-01

Full Text Available Zirconium compounds are of great interest for ceramic application due to their excellent thermal and mechanical properties. Zirconium phases of the system Zr-O-C-N were obtained using carbonitriding reactions of zircon mineral (ZrO2.SiO2, under different reaction conditions. The reaction products were studied by X-ray diffraction (XRD using the Rietveld method. Silicon was employed as internal standard. Zirconium compounds formed were m-ZrO2 (monoclinic, beta"-zirconium oxynitride and a cubic Zr(C,N,O phase whose lattice parameter a o depends on the composition. The crystallite sizes of the three zirconium phases were determined also by XRD. The minority phases present are the ones of the Si-O-N-C system. The reaction conditions employed allows to obtain reaction products with low or without silicon content.

Formation of Nano-crystalline Todorokite from Biogenic Mn Oxides

Energy Technology Data Exchange (ETDEWEB)

Feng, X.; Zhu, M; Ginder-Vogel, M; Ni, C; Parikh, S; Sparks, D

2010-01-01

Todorokite, as one of three main Mn oxide phases present in oceanic Mn nodules and an active MnO{sub 6} octahedral molecular sieve (OMS), has garnered much interest; however, its formation pathway in natural systems is not fully understood. Todorokite is widely considered to form from layer structured Mn oxides with hexagonal symmetry, such as vernadite ({delta}-MnO{sub 2}), which are generally of biogenic origin. However, this geochemical process has not been documented in the environment or demonstrated in the laboratory, except for precursor phases with triclinic symmetry. Here we report on the formation of a nanoscale, todorokite-like phase from biogenic Mn oxides produced by the freshwater bacterium Pseudomonas putida strain GB-1. At long- and short-range structural scales biogenic Mn oxides were transformed to a todorokite-like phase at atmospheric pressure through refluxing. Topotactic transformation was observed during the transformation. Furthermore, the todorokite-like phases formed via refluxing had thin layers along the c* axis and a lack of c* periodicity, making the basal plane undetectable with X-ray diffraction reflection. The proposed pathway of the todorokite-like phase formation is proposed as: hexagonal biogenic Mn oxide {yields} 10-{angstrom} triclinic phyllomanganate {yields} todorokite. These observations provide evidence supporting the possible bio-related origin of natural todorokites and provide important clues for understanding the transformation of biogenic Mn oxides to other Mn oxides in the environment. Additionally this method may be a viable biosynthesis route for porous, nano-crystalline OMS materials for use in practical applications.

RNA aptamers targeted for human αA-crystallin do not bind αB-crystallin, and spare the α-crystallin domain.

Science.gov (United States)

Mallik, Prabhat K; Shi, Hua; Pande, Jayanti

2017-09-16

The molecular chaperones, α-crystallins, belong to the small heat shock protein (sHSP) family and prevent the aggregation and insolubilization of client proteins. Studies in vivo have shown that the chaperone activity of the α-crystallins is raised or lowered in various disease states. Therefore, the development of tools to control chaperone activity may provide avenues for therapeutic intervention, as well as enable a molecular understanding of chaperone function. The major human lens α-crystallins, αA- (HAA) and αB- (HAB), share 57% sequence identity and show similar activity towards some clients, but differing activities towards others. Notably, both crystallins contain the "α-crystallin domain" (ACD, the primary client binding site), like all other members of the sHSP family. Here we show that RNA aptamers selected for HAA, in vitro, exhibit specific affinity to HAA but do not bind HAB. Significantly, these aptamers also exclude the ACD. This study thus demonstrates that RNA aptamers against sHSPs can be designed that show high affinity and specificity - yet exclude the primary client binding region - thereby facilitating the development of RNA aptamer-based therapeutic intervention strategies. Copyright © 2017 Elsevier Inc. All rights reserved.

Synthesis of crystalline ceramics for actinide immobilisation

International Nuclear Information System (INIS)

Burakov, B.; Gribova, V.; Kitsay, A.; Ojovan, M.; Hyatt, N.C.; Stennett, M.C.

2007-01-01

Methods for the synthesis of ceramic wasteforms for the immobilization of actinides are common to those for non-radioactive ceramics: hot uniaxial pressing (HUP); hot isostatic pressing (HIP); cold pressing followed by sintering; melting (for some specific ceramics, such as garnet/perovskite composites). Synthesis of ceramics doped with radionuclides is characterized with some important considerations: all the radionuclides should be incorporated into crystalline structure of durable host-phases in the form of solid solutions and no separate phases of radionuclides should be present in the matrix of final ceramic wasteform; all procedures of starting precursor preparation and ceramic synthesis should follow safety requirements of nuclear industry. Synthesis methods that avoid the use of very high temperatures and pressures and are easily accomplished within the environment of a glove-box or hot cell are preferable. Knowledge transfer between the V. G. Khlopin Radium Institute (KRI, Russia) and Immobilisation Science Laboratory (ISL, UK) was facilitated in the framework of a joint project supported by UK Royal Society. In order to introduce methods of precursor preparation and ceramic synthesis we selected well-known procedures readily deployable in radiochemical processing plants. We accounted that training should include main types of ceramic wasteforms which are currently discussed for industrial applications. (authors)

The Chemistry, Crystallization, Physicochemical Properties and Behavior of Sodium Aluminosilicate Solid Phases: Final Report

International Nuclear Information System (INIS)

Rosencrance, S.

2003-01-01

The synthesis of sodium aluminosilicate solids phases precipitated from NO 2 /NO 3 -free and NO 2 /NO 3 -rich liquors has been performed. Four sodium aluminosilicate precipitation products were formed. These are (1) X-ray/electron diffraction-indifferent amorphous phase; (2) crystalline zeolite A; (3)NO 2 /NO 3 -rich crystalline sodalite; and (4) NO 2 /NO 3 -rich crystalline cancrinite phase. Characterization of the physicochemical properties for these phases has been performed under conditions simulating Westinghouse Savannah River Company liquid waste processing

Structural aspects of fish skin collagen which forms ordered arrays via liquid crystalline states.

Science.gov (United States)

Giraud-Guille, M M; Besseau, L; Chopin, C; Durand, P; Herbage, D

2000-05-01

The ability of acid-soluble type I collagen extracts from Soleidae flat fish to form ordered arrays in condensed phases has been compared with data for calf skin collagen. Liquid crystalline assemblies in vitro are optimized by preliminary treatment of the molecular population with ultrasounds. This treatment requires the stability of the fish collagen triple helicity to be controlled by X-ray diffraction and differential scanning calorimetry and the effect of sonication to be evaluated by viscosity measurements and gel electrophoresis. The collagen solution in concentrations of at least 40 mg ml(-1) showed in polarized light microscopy birefringent patterns typical of precholesteric phases indicating long-range order within the fluid collagen phase. Ultrastructural data, obtained after stabilization of the liquid crystalline collagen into a gelated matrix, showed that neutralized acid-soluble fish collagen forms cross-striated fibrils, typical of type I collagen, following sine wave-like undulations in precholesteric domains. These ordered geometries, approximating in vivo situations, give interesting mechanical properties to the material.

Rietveld quantitative phase analysis of high surface area commercial alumina doped with niobia

International Nuclear Information System (INIS)

Gomes, L.B.; Pereira, A.S.; Pokorny, A.; Bergmann, C.P.

2014-01-01

The quantification of crystalline phases present in a given material can provide important information about the phenomena related to the diffusion of new elements in a ceramic matrix, as well as the formation and precipitation of minority phases and their microstructural evaluation. In this work, a high content of niobia (16 and 32 %w.t)was added to a high specific surface commercial alumina powder. The specimens were uniaxially pressed (200 MPa) and sintered in two stages: a first step at 1100°C for 3, 6 or 9 hours followed by a second step at 1350°C for 3 hours. The crystalline phases were analyzed by X-ray Diffraction (XRD) and quantified by the Rietveld method. The morphology of the samples was evaluated by Scanning Electron Microscopy (SEM). From the results obtained, some aluminum niobates phases expected for the Al_2O_3-Nb_2O_5 system could be identified as an intergranular phase and their relative fraction was quantified. (author)

Hydrothermal synthesis of highly crystalline RuS2 nanoparticles as cathodic catalysts in the methanol fuel cell and hydrochloric acid electrolysis

International Nuclear Information System (INIS)

Li, Yanjuan; Li, Nan; Yanagisawa, Kazumichi; Li, Xiaotian; Yan, Xiao

2015-01-01

Highlights: • Highly crystalline RuS 2 nanoparticles have been first synthesized by a “one-step” hydrothermal method. • The product presents a pure cubic phase of stoichiometric ratio RuS 2 with average particle size of 14.8 nm. • RuS 2 nanoparticles were used as cathodic catalysts in methanol fuel cell and hydrochloric acid electrolysis. • The catalyst outperforms commercial Pt/C in methanol tolerance and stability towards Cl − . - Abstract: Highly crystalline ruthenium sulfide (RuS 2 ) nanoparticles have been first synthesized by a “one-step” hydrothermal method at 400 °C, using ruthenium chloride and thiourea as reactants. The products were characterized by powder X-ray diffraction (XRD), scanning electron microscopy/energy disperse spectroscopy (SEM/EDS), thermo gravimetric-differential thermal analyze (TG-DTA), transmission electron microscopy equipped with selected area electron diffraction (TEM/SAED). Fourier transform infrared spectra (IR), and X-ray photoelectron spectroscopy (XPS). XRD result illustrates that the highly crystalline product presents a pure cubic phase of stoichiometric ratio RuS 2 and the average particle size is 14.8 nm. SEM and TEM images display the products have irregular shape of 6–25 nm. XPS analyst indicates that the sulfur exists in the form of S 2 2− . Cyclic voltammetry (CV), rotating disk electrode (RDE), chronoamperometry (CA) and electrochemical impedance spectroscopy (EIS) measurements are conducted to evaluate the electrocatalytic activity and stability of the highly crystalline RuS 2 nanoparticles in oxygen reduction reaction (ORR) for methanol fuel cell and hydrochloric acid electrolysis. The results illustrate that RuS 2 is active towards oxygen reduction reaction. Although the activity of RuS 2 is lower than that of Pt/C, the RuS 2 catalyst outperforms commercial Pt/C in methanol tolerance and stability towards Cl −

On the relevance of the micromechanics approach for predicting the linear viscoelastic behavior of semi-crystalline poly(ethylene)terephtalates (PET)

International Nuclear Information System (INIS)

Diani, J.; Bedoui, F.; Regnier, G.

2008-01-01

The relevance of micromechanics modeling to the linear viscoelastic behavior of semi-crystalline polymers is studied. For this purpose, the linear viscoelastic behaviors of amorphous and semi-crystalline PETs are characterized. Then, two micromechanics modeling methods, which have been proven in a previous work to apply to the PET elastic behavior, are used to predict the viscoelastic behavior of three semi-crystalline PETs. The microstructures of the crystalline PETs are clearly defined using WAXS techniques. Since microstructures and mechanical properties of both constitutive phases (the crystalline and the amorphous) are defined, the simulations are run without adjustable parameters. Results show that the models are unable to reproduce the substantial decrease of viscosity induced by the increase of crystallinity. Unlike the real materials, for moderate crystallinity, both models show materials of viscosity nearly identical to the amorphous material

Pitfalls and feedback when constructing topological pressure-temperature phase diagrams

Science.gov (United States)

Ceolin, R.; Toscani, S.; Rietveld, Ivo B.; Barrio, M.; Tamarit, J. Ll.

2017-04-01

The stability hierarchy between different phases of a chemical compound can be accurately reproduced in a topological phase diagram. This type of phase diagrams may appear to be the result of simple extrapolations, however, experimental complications quickly increase in the case of crystalline trimorphism (and higher order polymorphism). To ensure the accurate positioning of stable phase domains, a topological phase diagram needs to be consistent. This paper gives an example of how thermodynamic feedback can be used in the topological construction of phase diagrams to ensure overall consistency in a phase diagram based on the case of piracetam crystalline trimorphism.

Photo-responsive liquid crystalline epoxy networks with exchangeable disulfide bonds

Energy Technology Data Exchange (ETDEWEB)

Li, Yuzhan [Washington State Univ., Pullman, WA (United States); Zhang, Yuehong [Washington State Univ., Pullman, WA (United States); Rios, Orlando [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Keum, Jong K. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Kessler, Michael R. [Washington State Univ., Pullman, WA (United States); North Dakota State Univ., Fargo, ND (United States)

2017-07-27

The increasing demand for intelligent materials has driven the development of polymers with a variety of functionalities. However, combining multiple functionalities within one polymer is still challenging because of the difficulties encountered in coordinating different functional building blocks during fabrication. In this work, we demonstrate the fabrication of a multifunctional liquid crystalline epoxy network (LCEN) using the combination of thermotropic liquid crystals, photo-responsive azobenzene molecules, and exchangeable disulfide bonds. In addition to shape memory behavior enabled by the reversible liquid crystalline phase transition and photo-induced bending behavior resulting from the photo-responsive azobenzene molecules, the introduction of dynamic disulfide bonds into the LCEN resulted in a structurally dynamic network, allowing the reshaping, repairing, and recycling of the material.

High energy single frequency Yb:YAG crystalline fiber waveguide master oscillator power amplifier, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — The overall objective is to demonstrate the concept of Yb:YAG crystalline fiber MOPA laser and investigation the technical feasibility toward 50 mJ single frequency...

Birnessite-type MnO2 nanosheets with layered structures under high pressure: elimination of crystalline stacking faults and oriented laminar assembly.

Science.gov (United States)

Sun, Yugang; Wang, Lin; Liu, Yuzi; Ren, Yang

2015-01-21

Squeezing out crystalline stacking faults: Birnessite-type δ-phase MnO2 microflowers containing interconnected ultrathin nanosheets are synthesized through a microwave-assisted hydrothermal process and exhibit a layered crystalline structure with significant stacking faults. Compressing these MnO2 nanosheets in a diamond anvil cell with high pressure up to tens of GPa effectively eliminates the crystalline stacking faults. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Demonstration of thin film pair distribution function analysis (tfPDF for the study of local structure in amorphous and crystalline thin films

Directory of Open Access Journals (Sweden)

Kirsten M. Ø. Jensen

2015-09-01

Full Text Available By means of normal-incidence, high-flux and high-energy X-rays, total scattering data for pair distribution function (PDF analysis have been obtained from thin films (tf, suitable for local structure analysis. By using amorphous substrates as support for the films, the standard Rapid Acquisition PDF setup can be applied and the scattering signal from the film can be isolated from the total scattering data through subtraction of an independently measured background signal. No angular corrections to the data are needed, as would be the case for grazing incidence measurements. The `tfPDF' method is illustrated through studies of as-deposited (i.e. amorphous and crystalline FeSb3 films, where the local structure analysis gives insight into the stabilization of the metastable skutterudite FeSb3 phase. The films were prepared by depositing ultra-thin alternating layers of Fe and Sb, which interdiffuse and after annealing crystallize to form the FeSb3 structure. The tfPDF data show that the amorphous precursor phase consists of corner-sharing FeSb6 octahedra with motifs highly resembling the local structure in crystalline FeSb3. Analysis of the amorphous structure allows the prediction of whether the final crystalline product will form the FeSb3 phase with or without excess Sb present. The study thus illustrates how analysis of the local structure in amorphous precursor films can help to understand crystallization processes of metastable phases and opens for a range of new local structure studies of thin films.

Effect of ambient pressure on the crystalline phase of nano TiO2 particles synthesized by a dc thermal plasma reactor

International Nuclear Information System (INIS)

Banerjee, I.; Karmakar, Soumen; Kulkarni, Naveen V.; Nawale, Ashok B.; Mathe, V. L.; Das, A. K.; Bhoraskar, S. V.

2010-01-01

The synthesis of nanoparticles of titanium dioxide (TiO 2 ) with varying percentages of anatase and rutile phases is reported. This was achieved by controlling the operating pressure in a transferred-arc, direct current thermal plasma reactor in which titanium vapors are evaporated, and then exposed to ambient oxygen. The average particle size remained around 15 nm in each case. The crystalline structure of the as-synthesized nanoparticles of TiO 2 was studied with X-ray diffraction analysis; whereas the particle morphology was investigated with the help of transmission electron microscopy. The precursor species responsible for the growth of these nanoparticles was studied with the help of optical emission spectroscopy. As inferred from the X-ray diffraction analysis, the relative abundance of anatase TiO 2 was found to be dominant when synthesized at 760 Torr, and the same showed a decreasing trend with decreasing chamber pressure. The study also reveals that anatase TiO 2 is a more effective photocatalytic agent in degrading methylene blue by comparison to its rutile phase.

Liquid crystalline order in polymers

CERN Document Server

Blumstein, Alexandre

1978-01-01

Liquid Crystalline Order in Polymers examines the topic of liquid crystalline order in systems containing rigid synthetic macromolecular chains. Each chapter of the book provides a review of one important area of the field. Chapter 1 discusses scattering in polymer systems with liquid crystalline order. It also introduces the field of liquid crystals. Chapter 2 treats the origin of liquid crystalline order in macromolecules by describing the in-depth study of conformation of such macromolecules in their unassociated state. The chapters that follow describe successively the liquid crystalli

Trophic transfer potential of two different crystalline phases of TiO2 NPs from Chlorella sp. to Ceriodaphnia dubia.

Science.gov (United States)

Iswarya, V; Bhuvaneshwari, M; Chandrasekaran, N; Mukherjee, Amitava

2018-04-01

Owing to the increase in the usage of titanium dioxide nanoparticles (TiO 2 NPs), their release into the aquatic environment is inevitable. In the aquatic ecosystem, TiO 2 NPs can bio-magnify at various trophic levels in the food chain through dietary exposure. In the current study, the trophic transfer potential of two crystalline phases of TiO 2, anatase and rutile nanoparticles (individual as well as a binary mixture) has been evaluated in the lake water matrix using algae-daphnia system. Chlorella sp. and Ceriodaphnia dubia were used as test organisms to represent the algae-daphnia food chain of the freshwater ecosystem. Other than crystallinity, the effect of irradiation (visible and UV-A) was also investigated at the test concentrations, 75, 300, and 1200 μM. TiO 2 NPs treated algal diet produced significant mortality only at the test concentrations, 300 and 1200 μM. The type of irradiation and crystallinity doesn't have any impact on the mortality of daphnids through the dietary exposure of TiO 2 NPs. Comparing the mixture with individual NPs, binary mixture induced less mortality on C. dubia which signifies the antagonistic effect of NPs when they coexist. Statistical modeling confirmed the antagonistic effect of the binary mixture on C. dubia. As individual NPs, anatase and rutile forms showed a maximum Ti accumulation under UV-A and visible irradiation, respectively. BMF of TiO 2 NPs has been in validation with the bioaccumulation noted in C. dubia. Individual NPs (75 μM) showed higher BMF value of ∼23 under both UV-A (anatase) and visible (rutile) irradiation. Individual NPs showing higher BMF confirmed their trophic transfer potential in the aquatic food chain, primarily through the diet. In contrast, the binary mixture obtained a higher BMF of 1.9 and 0.79 at 75 and 300 μM under visible and UV-A irradiation, respectively. The plausible reason behind this decrement was the antagonistic effect of the mixture which significantly reduced

Chevrel phases: Past, present and future

Science.gov (United States)

Peña, Octavio

2015-07-01

The ternary molybdenum chalcogenides MxMo6X8 (X = chalcogen), known as Chevrel phases, constitute an outstanding family of materials presenting numerous and spectacular properties. More than 100 examples of these compounds have been synthesized thanks to their versatile crystal structure. Numerous variants are found, from the binary material formed just by the molybdenum clusters Mo6X8 leaving a three-dimensional lattice where the third element M can be inserted, up to a condensation of clusters giving rise to a monodimensional material. The great interest in these compounds, discovered more than 40 years ago, came from their superconducting critical temperature and upper critical fields (15 K for the former, 50 Tesla at 4.2 K for the latter), both being reasonably high values at the time of their discovery thus opening enormous hopes for their use in the fabrication of magnets. Other fundamental features are found, such as the coexistence of magnetic order with the superconducting state. These features are still of interest for the scientific community, but other potential applications are now foreseen, such as their use in batteries, catalysis and thermopower technology. We recall herein some basic characteristic of Chevrel-phases, mentioning several important families, their crystal structure and mode of elaboration. This contribution being focused on the superconducting properties, we put an accent on some fundamental aspects, such as the structural and electronic transitions, the vortex lattice, their granular behavior, critical current densities, upper field and anisotropy, to finally discuss the so-called unconventional superconductivity, classifying these materials among the "exotic superconductors" and making a parallel with other superconductors which, in spite of their quite different electronic and crystal structures, present similar features. Chevrel phases have a long and incredible past as outstanding materials for basic and applied research but, in

Hot isostatically-pressed aluminosilicate glass-ceramic with natural crystalline analogues for immobilizing the calcined high-level nuclear waste at the Idaho Chemical Processing Plant

International Nuclear Information System (INIS)

Raman, S.

1993-12-01

The additives Si, Al, MgO, P 2 O 5 were mechanically blended with fluorinelsodium calcine in varying proportions. The batches were vacuum sealed in stainless steel canisters and hot isostatically pressed at 20,000 PSI and 1000 C for 4 hours. The resulting suite of glass-ceramic waste forms parallels the natural rocks in microstructural and compositional heterogeneity. Several crystalline phases ar analogous in composition and structure to naturally occurring minerals. Additional crystalline phases are zirconia and Ca-Mg borate. The glasses are enriched in silica and alumina. Approximately 7% calcine elements occur dissolved in this glass and the total glass content in the waste forms averages 20 wt%. The remainder of the calcine elements are partitioned into crystalline phases at 75 wt% calcine waste loading. The waste forms were tested for chemical durability in accordance with the MCC1-test procedure. The leach rates are a function of the relative proportions of additives and calcine, which in turn influence the composition and abundances of the glass and crystalline phases. The DOE leach rate criterion of less than 1 g/m 2 -day is met by all the elements B, Cs and Na are increased by lowering the melt viscosity. This is related to increased crystallization or devitrification with increases in MgO addition. This exploratory work has shown that the increases in waste loading occur by preferred partitioning of the calcine components among crystalline and glass phases. The determination of optimum processing parameters in the form of additive concentration levels, homogeneous blending among the components, and pressure-temperature stabilities of phases must be continued to eliminate undesirable effects of chemical composition, microstructure and glass devitrification

Crystalline phase, profile characteristics and spectroscopic properties of Er{sup 3+}/Tm{sup 3+}-diffusion-codoped LiNbO{sub 3} crystal

Energy Technology Data Exchange (ETDEWEB)

Sun, Wen-Bao [Department of Opto-electronics and Information Engineering, School of Precision Instruments and Opto-electronics Engineering, Tianjin University, Tianjin 300072 (China); Key Laboratory of Optoelectronic Information Technology, Ministry of Education (Tianjin University), Tianjin 300072 (China); Zhang, Zi-Bo [Department of Engineering, Pierre and Marie Curie University (University of Paris VI), 4 place Jussieu, 75005 Paris (France); Sun, Hong-Xue [Department of Opto-electronics and Information Engineering, School of Precision Instruments and Opto-electronics Engineering, Tianjin University, Tianjin 300072 (China); Key Laboratory of Optoelectronic Information Technology, Ministry of Education (Tianjin University), Tianjin 300072 (China); Wong, Wing-Han, E-mail: eewhwong@cityu.edu.hk [Department of Opto-electronics and Information Engineering, School of Precision Instruments and Opto-electronics Engineering, Tianjin University, Tianjin 300072 (China); Key Laboratory of Optoelectronic Information Technology, Ministry of Education (Tianjin University), Tianjin 300072 (China); Department of Electronic Engineering and State Key Laboratory of Millimeter Waves, City University of Hong Kong, 83 Tat Chee Avenue, Kowloon, Hong Kong (China); Yu, Dao-Yin [Department of Opto-electronics and Information Engineering, School of Precision Instruments and Opto-electronics Engineering, Tianjin University, Tianjin 300072 (China); Key Laboratory of Optoelectronic Information Technology, Ministry of Education (Tianjin University), Tianjin 300072 (China); Pun, Edwin Yue-Bun [Department of Electronic Engineering and State Key Laboratory of Millimeter Waves, City University of Hong Kong, 83 Tat Chee Avenue, Kowloon, Hong Kong (China); and others

2017-04-15

Er{sup 3+}/Tm{sup 3+}-codoped LiNbO{sub 3} crystal was prepared by co-diffusion of stacked Er and Tm metal films coated onto surface of off-congruent, Li-deficient LiNbO{sub 3} substrate produced by Li-poor vapor transport equilibration technique. The crystalline phase on the diffused surface was analyzed by X-ray single-crystal diffraction. The Er{sup 3+} and Tm{sup 3+} profile characteristics were studied by secondary ion mass spectrometry. The emission spectra were measured under the 980 or 795 nm wavelength excitation, and the emission and absorption cross section spectra were calculated based upon McCumber theory. The lifetimes of some emissions were measured. The results show that the Er{sup 3+} and Tm{sup 3+} ions presence is in the form of LiNbO{sub 3} phase. Both ions obey to Gaussian profile with a diffusion depth 21.5 μm. In the codoping case, both ions keep their respective spectroscopic features of only doping case and do not affect each other. The codoping enables to combine the wavelength emissions of both ions and the resultant emission band in the telecommunication window around 1.5 μm is as wide as 150 nm, providing the possibility of S+C+L broadband amplification by employing commercial 980 and 795 nm laser diodes as the pump sources. The Er{sup 3+}/Tm{sup 3+}-codoped LN is a promising host material for integrated optics. - Graphical abstract: Er{sup 3+}/Tm{sup 3+}-codoped LiNbO{sub 3} crystal was prepared by co-diffusion of stacked Er and Tm metal films. The crystalline phase, diffusion profile and cross section spectra of Er{sup 3+} and Tm{sup 3+} ions in the diffusion layer have been investigated. The results show that the presence of Er{sup 3+} and Tm{sup 3+} ions is in the LiNbO{sub 3} phase. Both ions follow Gaussian profile with a diffusion depth 21.5 μm. Both ions keep their respective spectroscopic features of only doping case. Excited state absorption is the dominant process for 795-nm-upconvered fluorescence of Tm{sup 3+}. The

Crystalline Organic Pigment-Based Field-Effect Transistors.

Science.gov (United States)

Zhang, Haichang; Deng, Ruonan; Wang, Jing; Li, Xiang; Chen, Yu-Ming; Liu, Kewei; Taubert, Clinton J; Cheng, Stephen Z D; Zhu, Yu

2017-07-05

Three conjugated pigment molecules with fused hydrogen bonds, 3,7-diphenylpyrrolo[2,3-f]indole-2,6(1H,5H)-dione (BDP), (E)-6,6'-dibromo-[3,3'-biindolinylidene]-2,2'-dione (IIDG), and 3,6-di(thiophen-2-yl)-2,5-dihydropyrrolo-[3,4-c]pyrrole-1,4-dione (TDPP), were studied in this work. The insoluble pigment molecules were functionalized with tert-butoxylcarbonyl (t-Boc) groups to form soluble pigment precursors (BDP-Boc, IIDG-Boc, and TDPP-Boc) with latent hydrogen bonding. The single crystals of soluble pigment precursors were obtained. Upon simple thermal annealing, the t-Boc groups were removed and the soluble pigment precursor molecules with latent hydrogen bonding were converted into the original pigment molecules with fused hydrogen bonding. Structural analysis indicated that the highly crystalline soluble precursors were directly converted into highly crystalline insoluble pigments, which are usually only achievable by gas-phase routes like physical vapor transport. The distinct crystal structure after the thermal annealing treatment suggests that fused hydrogen bonding is pivotal for the rearrangement of molecules to form a new crystal in solid state, which leads to over 2 orders of magnitude enhancement in charge mobility in organic field-effect transistor (OFET) devices. This work demonstrated that crystalline OFET devices with insoluble pigment molecules can be fabricated by their soluble precursors. The results indicated that a variety of commercially available conjugated pigments could be potential active materials for high-performance OFETs.

Role of αA-crystallin-derived αA66-80 peptide in guinea pig lens crystallin aggregation and insolubilization.

Science.gov (United States)

Raju, Murugesan; Mooney, Brian P; Thakkar, Kavi M; Giblin, Frank J; Schey, Kevin L; Sharma, K Krishna

2015-03-01

Earlier we reported that low molecular weight (LMW) peptides accumulate in aging human lens tissue and that among the LMW peptides, the chaperone inhibitor peptide αA66-80, derived from α-crystallin protein, is one of the predominant peptides. We showed that in vitro αA66-80 induces protein aggregation. The current study was undertaken to determine whether LMW peptides are also present in guinea pig lens tissue subjected to hyperbaric oxygen (HBO) in vivo. The nuclear opacity induced by HBO in guinea pig lens is the closest animal model for studying age-related cataract formation in humans. A LMW peptide profile by mass spectrometry showed the presence of an increased amount of LMW peptides in HBO-treated guinea pig lenses compared to age-matched controls. Interestingly, the mass spectrometric data also showed that the chaperone inhibitor peptide αA66-80 accumulates in HBO-treated guinea pig lens. Following incubation of synthetic chaperone inhibitor peptide αA66-80 with α-crystallin from guinea pig lens extracts, we observed a decreased ability of α-crystallin to inhibit the amorphous aggregation of the target protein alcohol dehydrogenase and the formation of large light scattering aggregates, similar to those we have observed with human α-crystallin and αA66-80 peptide. Further, time-lapse recordings showed that a preformed complex of α-crystallin and αA66-80 attracted additional crystallin molecules to form even larger aggregates. These results demonstrate that LMW peptide-mediated cataract development in aged human lens and in HBO-induced lens opacity in the guinea pig may have common molecular pathways. Copyright © 2015 Elsevier Ltd. All rights reserved.

Plasticity induced phase transformation in molecular crystals

OpenAIRE

Koslowski, Marisol

2014-01-01

Solid state amorphization (SSA) can be achieved in crystalline materials including metal alloys, intermetallics, semiconductors, minerals and molecular crystals. Even though the mechanisms may differ in different materials, the crystalline to amorphous transformation occurs when the crystal reaches a metastable state in which its free energy is higher than that of the amorphous phase. SSA is observed in metal alloys because of interdiffusion of the crystalline elements during mechanical milli...

Liquid crystalline order of carbon nanotubes

Science.gov (United States)

Georgiev, Georgi; Ahlawat, Aditya; Mulkern, Brian; Doyle, Robert; Mongeau, Jennifer; Ogilvie, Alex

2007-03-01

Topological defects formed during phase transitions in liquid crystals provide a direct proof of the standard Cosmological model and are direct links to the Early Universe. On the other hand in Nanotechnology, carbon nanotubes can be manipulated and oriented directly by changing the liquid crystalline state of the nanotubes, in combination with organic liquid crystals. Currently there are no nano-assemblers, which makes the liquid crystal state of the nanotubes, one of the few ways of controlling them. We show the design of a fast and efficient polarized light ellipsometric system (a new modification of previous optical systems) that can provide fast quantitative real time measurements in two dimensions of the formation of topological defects in liquid crystals during phase transitions in lab settings. Our aim is to provide fundamental information about the formation of optically anisotropic structures in liquid crystals and the orientation of carbon nanotubes in electric field.

Liquid crystalline systems for transdermal delivery of celecoxib: in vitro drug release and skin permeation studies.

Science.gov (United States)

Estracanholli, Eder André; Praça, Fabíola Silva Garcia; Cintra, Ana Beatriz; Pierre, Maria Bernadete Riemma; Lara, Marilisa Guimarães

2014-12-01

Liquid crystalline systems of monoolein/water could be a promising approach for the delivery of celecoxib (CXB) to the skin because these systems can sustain drug release, improve drug penetration into the skin layers and minimize side effects. This study evaluated the potential of these systems for the delivery of CXB into the skin based on in vitro drug release and skin permeation studies. The amount of CXB that permeated into and/or was retained in the skin was assayed using an HPLC method. Polarizing light microscopy studies showed that liquid crystalline systems of monoolein/water were formed in the presence of CXB, without any changes in the mesophases. The liquid crystalline systems decreased drug release when compared to control solution. Drug release was independent of the initial water content of the systems and CXB was released from cubic phase systems, irrespective of the initial water content. The systems released the CXB following zero-order release kinetics. In vitro drug permeation studies showed that cubic phase systems allowed drug permeation and retention in the skin layers. Cubic phase systems of monoolein/water may be promising vehicles for the delivery of CXB in/through the skin because it improved CXB skin permeation compared with the control solution.

Formation of a crystalline InSe phase from a quaternary single crystal of the Cu-Ag-In-Se system by massive ion motion

Energy Technology Data Exchange (ETDEWEB)

Diaz, R., E-mail: raquel.diaz@uam.es [Departamento de Fisica Aplicada, M12, Facultad de Ciencias, Universidad Autonoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Rueda, F. [Departamento de Fisica Aplicada, M12, Facultad de Ciencias, Universidad Autonoma de Madrid, Cantoblanco, 28049 Madrid (Spain)

2012-08-15

The composition and structural properties of a single crystal of the Cu-Ag-In-Se system are analyzed. Laue diffraction shows a single crystal while XRD diffraction and EDAX composition indicate two crystalline phases and two compositions close to Cu{sub 0.97}Ag{sub 0.03}In{sub 1.75}Se{sub 2.84} and Cu{sub 0.95}Ag{sub 0.05}In{sub 2}Se{sub 3.5} with lattice parameter, a = 5.770 Angstrom-Sign and a = 5.790 Angstrom-Sign and c/a {approx_equal} 2.0 respectively. Impedance spectroscopy is carried out at temperatures up to 120 Degree-Sign C in a sequential annealing in order to obtain the electrical properties. A motion of two ions is observed and two ionic resistances and activation energies are computed in the 0.15-0.17 eV range and 0.52 eV, respectively. In the successive annealing, the impedance spectra change, probably due to a non-reversible process in the sample. After the impedance analysis, composition measurements and the structural analysis show a massive motion of Ag + Cu and In ions in the slice. These motions produce different phases with very different compositions in different regions. Due to the high disorder in Cu and In sublattices and to the high number of (2V{sub Cu} + In{sub Cu}) defect pairs, these ions are easily moved, leading to the formation of an InSe crystalline phase. Ions are rearranged in the chalcopyrite phase region, along with the transformation of In{sup 3+} into In{sup 2+} chemical species accompanied by the corresponding electron conduction capture. These changes are responsible of the non-reversibility of the process. These results would allow to understand the highest solar energy conversion efficiencies of up to 20.3% observed in CuIn{sub 1-x}Ga{sub x}Se{sub 2} (CIGS) thin films obtained using a three-stage co-evaporation process. In these films, the CIGS layer reaches a copper rich composition and a quasi-liquid Cu{sub 2-y}Se phase is formed which enhances crystallization of the absorber layer and also affects the distribution of

Thermal, crystallinity and morphological studies of the filled RBD palm kernel oil polyurethane foam

International Nuclear Information System (INIS)

Khairiah Badri; Sahrim Ahmad; Sarani Zakaria

2000-01-01

The synthesis of RBD palm kernel oil (PKO) polyurethane polyol and the polyurethane foam has well been documented. However, less study has been put in discovering the thermal properties and crystallinity of the foam. It is also an initiative to investigate the effect of oil palm empty fruit bunch (EFB) and sorbitol as fillers in the polyurethane (PU) foam to these properties. Thermogravimetric (TGA) investigation of the PKO PU foam was performed to study their decompositions. The semi-crystalline nature of EFB-filled PU was confirmed by x-ray diffratogram and DSC thermogram of glass transition temperature, T g . The x-ray diffraction (XRD) study of the unfilled PU showed a broad amorphous halo, indicative of absence of crystallinity in the polymer, which has been explained as due to strong hydrogen bonding in the hard phase. Overall crystallinity decreases with an increase in the polyester content in agreement with the XRD results. The crystallinity however, increases with the inclusion of EFB in the polyurethane system. This study was followed by the observation of the surface morphologies of the PKO PU foam with and without fillers. The scanning electron micrographs verified the finding on the improved k-factor values. (Author)

Diffusion of Lithium Ions in Amorphous and Crystalline Poly(ethylene oxide)_3:LiCF_3SO_3 Polymer Electrolytes

International Nuclear Information System (INIS)

Xue, Sha; Liu, Yingdi; Li, Yaping; Teeters, Dale; Crunkleton, Daniel W.; Wang, Sanwu

2017-01-01

The PEO_3:LiCF_3SO_3 polymer electrolyte has attracted significant research due to high conductivity and enhanced stability in lithium polymer batteries. Most experimental studies have shown that amorphous PEO lithium salt electrolytes have higher conductivity than the crystalline ones. Other studies, however, have shown that crystalline PEO salt complexes can conduct ions. As a result, further theoretical investigations are warranted to help clarify the issue. In this work, we use density functional theory with the climbing image nudged elastic band method to investigate the atomic-scale mechanism of lithium ion transport in the polymer electrolytes. We also use density functional theory and ab initio molecular dynamics simulations to obtain the amorphous structure of PEO_3:LiCF_3SO_3. The diffusion pathways and activation energies of lithium ions in both crystalline and amorphous PEO_3:LiCF_3SO_3 are determined. In crystalline PEO_3:LiCF_3SO_3, the activation energy for the low-barrier diffusion pathway is approximately 1.0 eV. In the amorphous phase, the value is 0.6 eV. This result would support the experimental observation that amorphous PEO_3:LiCF_3SO_3 has higher ionic conductivity than the crystalline phase.

Vehicles of inverted hexagonal liquid crystalline lipid phases self-assembled at room temperature

Czech Academy of Sciences Publication Activity Database

Angelov, Borislav; Angelova, A.; Garamus, V. M.; Lesieur, S.

2013-01-01

Roč. 15, 3/4 (2013), s. 211-215 ISSN 1454-4164 R&D Projects: GA ČR GAP208/10/1600 Institutional support: RVO:61389013 Keywords : liquid crystalline lipid nanoparticles * small angle X-ray scattering * cross-polarised light optical microscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.563, year: 2013 http://joam.inoe.ro/index.php?option=magazine&op=view&idu=3179&catid=76

First principles study of the optical contrast in phase change materials

Energy Technology Data Exchange (ETDEWEB)

Caravati, S; Parrinello, M [Department of Chemistry and Applied Biosciences, ETH Zurich, USI Campus, Via Giuseppe Buffi 13, 6900 Lugano (Switzerland); Bernasconi, M, E-mail: marco.bernasconi@mater.unimib.i [Dipartimento di Scienza dei Materiali, Universita di Milano-Bicocca, Via R Cozzi 53, I-20125, Milano (Italy)

2010-08-11

We study from first principles the optical properties of the phase change materials Ge{sub 2}Sb{sub 2}Te{sub 5} (GST), GeTe and Sb{sub 2}Te{sub 3} in the crystalline phase and in realistic models of the amorphous phase generated by quenching from the melt in ab initio molecular dynamics simulations. The calculations reproduce the strong optical contrast between the crystalline and amorphous phases measured experimentally and exploited in optical data storage. It is demonstrated that the optical contrast is due to a change in the optical matrix elements across the phase change in all the compounds. It is concluded that the reduction of the optical matrix elements in the amorphous phases is due to angular disorder in p-bonding which dominates the amorphous network in agreement with previous proposals (Huang and Robertson 2010 Phys. Rev. B 81 081204) based on calculations on crystalline models.

Metal impurities profile in a 450kg multi-crystalline silicon ingot by Cold Neutron Prompt Gamma-ray Activation Analysis

International Nuclear Information System (INIS)

Baek, Hani; Sun, Gwang Min; Kim, Ji seok; Oh, Mok; Chung, Yong Sam; Moon, Jong Hwa; Kim, Sun Ha; Baek, Sung Yeol; Tuan, Hoang Sy Minh

2014-01-01

Metal impurities are harmful to multi-crystalline silicon solar cells. They reduce solar cell conversion efficiencies through increased carrier recombination. They are present as isolated point-like impurities or precipitates. This work is to study the concentration profiles of some metal impurities of the directionally solidified 450kg multi-crystalline silicon ingot grown for solar cell production. The concentration of such impurities are generally below 10 15 cm -3 , and as such cannot be detected by physical techniques such as secondary-ion-mass spectroscopy(SIMS). So, we have tried to apply Cold Neutron - Prompt Gamma ray Activation Analysis(CN-PGAA) at the HANARO reactor research. The impurity concentrations of Au, Mn, Pt, Mo of a photovoltaic grade multi-crystalline silicon ingot appear by segregation from the liquid to the solid phase in the central region of the ingot during the crystallization. In the impurities concentration of the bottom region is higher than middle region due to the solid state diffusion. Towards the top region the segregation impurities diffused, during cooling process

Tectonics of the crystalline Basement of the Dolomites in North Italy

NARCIS (Netherlands)

Agterberg, F.P.

1961-01-01

The present thesis deals with a number of crystalline regions around the Dolomites in North Italy. The geographic position is shown on sheet I, which is depicted in fig. 105. The Dolomites proper consist mainly of Permotriassic, overlying a transgression plane, which cuts off the studied crystalline

Structure of Cu-Ti brazing filler metal in amorphous and crystalline states

Energy Technology Data Exchange (ETDEWEB)

Maksymova, S; Khorunov, V [Paton Electric Welding Institute, NASU, 11 Bozhenko Str., Kyiv, 03680 (Ukraine); Zelinskaya, G [G.V. Kurdyumov Institute of Metal Physics, NASU, Kyiv, 03142 (Ukraine)], E-mail: maksymova@paton.kiev.ua

2008-02-15

Structure, chemical homogeneity and phase composition of rapidly quenched ribbons of brazing filler metal Ti{sub 57}Cu{sub 43} were investigated. The ribbons were found to be amorphous. The alloy components are uniformly distributed along the thickness of the strip. High-temperature differential thermal analysis was used to determine temperature ranges of the ribbons crystallization. X-ray diffraction analysis was performed to study phase composition of the rapidly quenched ribbons in the initial state and after their isothermal annealing. Two crystalline phases - {gamma}-CuTi and CuTi{sub 3} being identified in the latter case.

LPE growth and scintillation properties of (Zn,Mg)O single crystalline film

Czech Academy of Sciences Publication Activity Database

Yoshikawa, A.; Yanagida, T.; Fujimoto, Y.; Kurosawa, S.; Yokota, Y.; Yamaji, A.; Sugiyama, M.; Wakahara, S.; Futami, Y.; Kikuchi, M.; Miyamoto, M.; Sekiwa, H.; Nikl, Martin

2012-01-01

Roč. 59, č. 5 (2012), 2286-2289 ISSN 0018-9499 R&D Projects: GA MŠk LH12150 Institutional research plan: CEZ:AV0Z10100521 Keywords : crystalline materials * epitaxial layers * liquid phase epitaxy * scintillator * semiconductor films Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.219, year: 2012

Protective and therapeutic role for αB-crystallin in autoimmune demyelination

NARCIS (Netherlands)

Ousman, S.S.; Tomooka, B.H.; Noort, J.M. van; Wawrousek, E.F.; O'Conner, K.; Hafler, D.A.; Sobel, R.A.; Robinson, W.H.; Steinman, L.

2007-01-01

αB-crystallin (CRYAB) is the most abundant gene transcript present in early active multiple sclerosis lesions, whereas such transcripts are absent in normal brain tissue. This crystallin has anti-apoptotic and neuroprotective functions. CRYAB is the major target of CD4+ T-cell immunity to the myelin

Metamorphosis: Phases of UF{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Dyer, R.H. [Department of Energy, Oak Ridge, TN (United States)

1991-12-31

A 15-minute videotape is presented. The subject matter is 150 grams of UF{sub 6} sealed in a glass tube. Close-up views show the UF{sub 6} as phase changes are effected by the addition or removal of heat from the closed system. The solid-to-liquid transition is shown as heat is added, both slowly and rapidly. The solid phases which result from freezing and from desublimation are contrasted. In the solid state, uranium hexafluoride is a nearly-white, dense crystalline solid. The appearance of this solid depends on whether it is formed by freezing from the liquid or by desublimation from the vapor phase. If frozen from the liquid, the solid particles take the form of irregularly shaped coarse grains, while the solid product of desublimation tends to be a rather formless mass without individually distinguishable particles. The changes in state are presented in terms of the UF{sub 6} phase diagram.

Photoconductivity studies on amorphous and crystalline TiO{sub 2} films doped with gold nanoparticles

Energy Technology Data Exchange (ETDEWEB)

Valverde-Aguilar, G.; Garcia-Macedo, J.A. [Universidad Nacional Autonoma de Mexico, Departamento de Estado Solido, Instituto de Fisica, Mexico D.F. (Mexico); Renteria-Tapia, V. [Universidad de Guadalajara, Centro Universitario de los Valles, Departamento de Ciencias Naturales y Exactas, Ameca, Jalisco (Mexico); Aguilar-Franco, M. [Universidad Nacional Autonoma de Mexico, Departamento de Fisica Quimica, Instituto de Fisica, Mexico D.F. (Mexico)

2011-06-15

In this work, amorphous and crystalline TiO{sub 2} films were synthesized by the sol-gel process at room temperature. The TiO{sub 2} films were doped with gold nanoparticles. The films were spin-coated on glass wafers. The crystalline samples were annealed at 100 C for 30 minutes and sintered at 520 C for 2 h. All films were characterized using X-ray diffraction, transmission electronic microscopy and UV-Vis absorption spectroscopy. Two crystalline phases, anatase and rutile, were formed in the matrix TiO{sub 2} and TiO{sub 2}/Au. An absorption peak was located at 570 nm (amorphous) and 645 nm (anatase). Photoconductivity studies were performed on these films. The experimental data were fitted with straight lines at darkness and under illumination at 515 nm and 645 nm. This indicates an ohmic behavior. Crystalline TiO{sub 2}/Au films are more photoconductive than the amorphous ones. (orig.)

The Effect of the Crystalline Phase of Zirconia for the Dehydration of Iso-propanol

International Nuclear Information System (INIS)

Sim, Hye-In; Park, Jung-Hyun; Cho, Jun Hee; Ahn, Ji-Hye; Choi, Min-Seok; Shin, Chae-Ho

2013-01-01

Zirconium hydroxide was synthesized by varying the aging time of the zirconyl chloride octahydrate at 100 .deg. C in aqueous solution and the resulting hydroxides were calcined at 700 .deg. C for 6 h to obtain the crystalline ZrO 2 . The materials used in this study were characterized by differential thermal analysis (DTA), X-ray diffraction (XRD), N 2 -sorption, transmission electron microscopy (TEM), NH 3 temperature-programmed desorption (NH 3 -TPD), CO 2 -TPD and iso-propanol TPD analyses to correlate with catalytic activity for the dehydration of iso-propanol. The pure tetragonal ZrO 2 phase was obtained after 24 h aging of zirconium hydroxide and successive calcination at 700 .deg. C. The increase of aging time showed the production of smaller particle size ZrO 2 resulting that the higher specific surface area and total pore volume. NH 3 -TPD results revealed that the relative acidity of the catalysts increased along with the increase of aging time. On the other hand, the results of CO 2 -TPD showed the reverse trend of NH 3 -TPD results. The best catalytic activity for the dehydration of iso-propanol to propylene was shown over ZrO 2 catalyst aged for 168 h which had the highest S BET (178 m 2 g -1 ). The catalytic activity could be correlated with high surface area, relative acidity and easy desorption of iso-propanol

Structural, optical and mechanical properties of amorphous and crystalline alumina thin films

Energy Technology Data Exchange (ETDEWEB)

Nayar, Priyanka [Department of Physics, Guru Nanak Dev University, Amritsar 143005 (India); Khanna, Atul, E-mail: akphysics@yahoo.com [Department of Physics, Guru Nanak Dev University, Amritsar 143005 (India); Kabiraj, D.; Abhilash, S.R. [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India); Beake, Ben D.; Losset, Yannick [Micro Materials Limited, Unit 3, Wrexham Technology Park, Wrexham LL13 7YP (United Kingdom); Chen, Banghao [Chemistry and Biochemistry Department, Florida State University, Tallahassee 32306 (United States)

2014-10-01

Thin films of amorphous alumina of thickness 350 nm were deposited on fused silica substrates by electron beam evaporation. Amorphous films were annealed at several temperatures in the range: 400–1130 °C and changes in film crystallinity, short-range structure, optical and mechanical properties were studied. X-ray diffraction studies found that crystallization starts at 800 °C and produces γ and δ-alumina, the latter phase grows with heat treatment and the sample was mostly δ and θ-alumina after annealing at 1130 °C. The as-deposited amorphous alumina films have low hardness of 5 to 8 GPa, which increases to 11 to 12 GPa in crystalline sample. {sup 27}Al Magic Angle Spinning Nuclear Magnetic Resonance was used to study the short-range order of amorphous and crystalline alumina films and it was found that amorphous alumina film contains AlO{sub 5} and AlO{sub 4} structural units in the ratio of 1:2. The concentration of AlO{sub 5} was significantly suppressed in crystalline film, which contains 48% of Al{sup 3+} ions in AlO{sub 6}, 7% in AlO{sub 5} and 45% in AlO{sub 4} units. - Highlights: • Structure–property correlations in alumina films grown by electron-beam evaporation • Amorphous films crystallize into γ and δ-alumina on annealing in air at 800 °C. • δ and θ-alumina films are stable up to 1130 °C and do not transform to α-phase. • Amorphous alumina films contain {sup [5]}Al and {sup [4]}Al structural units in the ratio of 1:2. • {sup [5]}Al decreases whereas {sup [6]}Al concentration increases on crystallization.

Ab initio study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals.

Science.gov (United States)

Zhu, L-F; Friák, M; Lymperakis, L; Titrian, H; Aydin, U; Janus, A M; Fabritius, H-O; Ziegler, A; Nikolov, S; Hemzalová, P; Raabe, D; Neugebauer, J

2013-04-01

We employ ab initio calculations and investigate the single-crystalline elastic properties of (Ca,Mg)CO3 crystals covering the whole range of concentrations from pure calcite CaCO3 to pure magnesite MgCO3. Studying different distributions of Ca and Mg atoms within 30-atom supercells, our theoretical results show that the energetically most favorable configurations are characterized by elastic constants that nearly monotonously increase with the Mg content. Based on the first principles-derived single-crystalline elastic anisotropy, the integral elastic response of (Ca,Mg)CO3 polycrystals is determined employing a mean-field self-consistent homogenization method. As in case of single-crystalline elastic properties, the computed polycrystalline elastic parameters sensitively depend on the chemical composition and show a significant stiffening impact of Mg atoms on calcite crystals in agreement with the experimental findings. Our analysis also shows that it is not advantageous to use a higher-scale two-phase mix of stoichiometric calcite and magnesite instead of substituting Ca atoms by Mg ones on the atomic scale. Such two-phase composites are not significantly thermodynamically favorable and do not provide any strong additional stiffening effect. Copyright © 2013 Elsevier Ltd. All rights reserved.

Morphology and crystallinity of sisal nanocellulose after sonication

Science.gov (United States)

Sosiati, H.; Wijayanti, D. A.; Triyana, K.; Kamiel, B.

2017-09-01

Different preparation methods on the natural fibers resulted in different morphology. However, the relationships between type of natural fibers, preparation methods and the morphology of produced nanocellulose could not be exactly defined. The sisal nanocellulose was presently prepared by alkalization and bleaching followed by sonication to verify changes in the morphology and crystallinity of nanocellulose related to the formation mechanism. The extracted microcellulose was subjected to scanning electron microscopy (SEM) and x-ray diffraction (XRD) analysis. The isolated cellulose nanospheres were examined with respect to morphology by SEM and transmission electron microscopy (TEM) and, to crystallinity by electron diffraction analysis. Bleaching after alkalization made the microfibrils clearly separated from each other to the individual fiber whose width of the single fiber was ranging from 6 to 13 µm. The XRD crystallinity index (CI) of microcellulose gradually increased after the chemical treatments; 83.12% for raw sisal fiber, 88.57% for alkali treated fiber and 94.03% for bleached fibers. The ultrasonic agitation after bleaching that was carried out at 750 Watt, 20 kHz and amplitude of 39% for 2 h produces homogeneous cellulose nanospheres less than 50 nm in diameter with relatively low crystallinity. The electron diffraction analysis confirmed that the low crystallinity of produced nnocellulose is related to the effect of chemical treatment done before sonication.

Quantum design and synthesis of a boron-oxygen-yttrium phase

International Nuclear Information System (INIS)

Music, Denis; Chirita, Valeriu; Kreissig, Ulrich; Czigany, Zsolt; Schneider, Jochen M.; Helmersson, Ulf

2003-01-01

Ab initio calculations are used to design a crystalline boron-oxygen-yttrium (BOY) phase. The essential constituent is yttrium substituting for oxygen in the boron suboxide structure (BO 0.17 ) with Y/B and O/B ratios of 0.07. The calculations predict that the BOY phase is 0.36 eV/atom more stable than crystalline BO 0.17 and experiments confirm the formation of crystalline thin films. The BOY phase was synthesized with reactive rf magnetron sputtering and identified with x-ray and selected area electron diffraction. Films with Y/B ratios ranging from 0.10 to 0.32, as determined via elastic recoil detection analysis, were grown over a wide range of temperatures (300-600 deg. C) and found to withstand 1000 deg. C

Competing covalent and ionic bonding in Ge-Sb-Te phase change materials.

Science.gov (United States)

Mukhopadhyay, Saikat; Sun, Jifeng; Subedi, Alaska; Siegrist, Theo; Singh, David J

2016-05-19

Ge2Sb2Te5 and related phase change materials are highly unusual in that they can be readily transformed between amorphous and crystalline states using very fast melt, quench, anneal cycles, although the resulting states are extremely long lived at ambient temperature. These states have remarkably different physical properties including very different optical constants in the visible in strong contrast to common glass formers such as silicates or phosphates. This behavior has been described in terms of resonant bonding, but puzzles remain, particularly regarding different physical properties of crystalline and amorphous phases. Here we show that there is a strong competition between ionic and covalent bonding in cubic phase providing a link between the chemical basis of phase change memory property and origins of giant responses of piezoelectric materials (PbTiO3, BiFeO3). This has important consequences for dynamical behavior in particular leading to a simultaneous hardening of acoustic modes and softening of high frequency optic modes in crystalline phase relative to amorphous. This different bonding in amorphous and crystalline phases provides a direct explanation for different physical properties and understanding of the combination of long time stability and rapid switching and may be useful in finding new phase change compositions with superior properties.

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

Science.gov (United States)

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.

Adverse reaction to metal debris with concomitant incidental crystalline arthropathy in hip arthroplasty

Directory of Open Access Journals (Sweden)

Edward J. Testa, BS

2017-03-01

Full Text Available Adverse reaction to metal debris (ARMD is a known cause of failed metal in hip arthroplasty. Diagnosis of this type of prosthesis failure may be difficult, and the hallmark is an abnormally elevated serum cobalt level. Concomitant diagnoses may also be present, such as infection, instability, and loosening, and this may confuse interpretation of abnormal laboratories. We present here, for the first time, 2 patients with ARMD and crystalline arthropathy. In each case, the patient chose surgery for ARMD, with resolution of symptoms and no recurrence of the crystalline arthropathy. We present these cases to alert the orthopaedist that crystalline arthropathy may be present at the same time as ARMD, but is likely not the primary cause of symptoms.

Formation of crystalline InGaO₃(ZnO)n nanowires via the solid-phase diffusion process using a solution-based precursor.

Science.gov (United States)

Guo, Yujie; Van Bilzen, Bart; Locquet, Jean Pierre; Seo, Jin Won

2015-12-11

One-dimensional single crystalline InGaO3(ZnO)n (IGZO) nanostructures have great potential for various electrical and optical applications. This paper demonstrates for the first time, to our knowledge, a non-vacuum route for the synthesis of IGZO nanowires by annealing ZnO nanowires covered with solution-based IGZO precursor. This method results in nanowires with highly periodic IGZO superlattice structure. The phase transition of IGZO precursor during thermal treatment was systematically studied. Transmission electron microscopy studies reveal that the formation of the IGZO structure is driven by anisotropic inter-diffusion of In, Ga, and Zn atoms, and also by the crystallization of the IGZO precursor. Optical measurements using cathodoluminescence and UV-vis spectroscopy confirm that the nanowires consist of the IGZO compound with wide optical band gap and suppressed luminescence.

Demixing by a Nematic Mean Field: Coarse-Grained Simulations of Liquid Crystalline Polymers

Energy Technology Data Exchange (ETDEWEB)

Ramírez-Hernández, Abelardo; Hur, Su-Mi; Armas-Pérez, Julio; Cruz, Monica; de Pablo, Juan

2017-03-01

Liquid crystalline polymers exhibit a particular richness of behaviors that stems from their rigidity and their macromolecular nature. On the one hand, the orientational interaction between liquid-crystalline motifs promotes their alignment, thereby leading to the emergence of nematic phases. On the other hand, the large number of configurations associated with polymer chains favors formation of isotropic phases, with chain stiffness becoming the factor that tips the balance. In this work, a soft coarse-grained model is introduced to explore the interplay of chain stiffness, molecular weight and orientational coupling, and their role on the isotropic-nematic transition in homopolymer melts. We also study the structure of polymer mixtures composed of stiff and flexible polymeric molecules. We consider the effects of blend composition, persistence length, molecular weight and orientational coupling strength on the melt structure at the nano-and mesoscopic levels. Conditions are found where the systems separate into two phases, one isotropic and the other nematic. We confirm the existence of non-equilibrium states that exhibit sought-after percolating nematic domains, which are of interest for applications in organic photovoltaic and electronic devices.

Phase quantification of mullite-zirconia and zircon commercial powders using PAC and XRD techniques

Energy Technology Data Exchange (ETDEWEB)

Rendtorff, Nicolas M.; Conconi, Maria S.; Aglietti, Esteban F. [Centro de Tecnologia de Recursos Minerales y Ceramica (CETMIC: CONICET-CIC) (Argentina); Chain, Cecilia Y.; Pasquevich, Alberto F. [Universidad Nacional de La Plata, Departamento de Fisica, IFLP, Facultad de Ciencias Exactas (Argentina); Rivas, Patricia C. [CONICET (Argentina); Martinez, Jorge A., E-mail: toto@fisica.unlp.edu.ar; Caracoche, Maria C. [Universidad Nacional de La Plata, Departamento de Fisica, IFLP, Facultad de Ciencias Exactas (Argentina)

2010-06-15

The short range technique of the Perturbed Angular Correlation (PAC) and x-ray diffraction (Rietveld) methods have been employed to determine the phase content in commercial mullite-zirconia and zircon raw materials that are ordinarily used to produce ceramic materials. The PAC technique, which probes zirconium-containing compounds at nanoscopic level, showed that zircon contains crystalline ZrSiO{sub 4} and an important amount of a structurally distorted zircon, which is also observed accompanying monoclinic zirconia in mullite-zirconia. This particular zircon phase was not detected by the long range x-ray diffraction-Rietveld technique. After an annealing treatment, important changes in crystalline contents of the powders allow confirming, by the x-ray diffraction-Rietveld method, the preexistence of this particular zircon phase. This fact must be taken into account when preparing multicomposites based on the present raw materials.

Machine-learning approach for local classification of crystalline structures in multiphase systems

Science.gov (United States)

Dietz, C.; Kretz, T.; Thoma, M. H.

2017-07-01

Machine learning is one of the most popular fields in computer science and has a vast number of applications. In this work we will propose a method that will use a neural network to locally identify crystal structures in a mixed phase Yukawa system consisting of fcc, hcp, and bcc clusters and disordered particles similar to plasma crystals. We compare our approach to already used methods and show that the quality of identification increases significantly. The technique works very well for highly disturbed lattices and shows a flexible and robust way to classify crystalline structures that can be used by only providing particle positions. This leads to insights into highly disturbed crystalline structures.

Western Wind and Solar Integration Study: Phase 2 (Presentation)

Energy Technology Data Exchange (ETDEWEB)

Lew, D.; Brinkman, G.; Ibanez, E.; Lefton, S.; Kumar, N.; Venkataraman, S.; Jordan, G.

2013-09-01

This presentation summarizes the scope and results of the Western Wind and Solar Integration Study Phase 2, which examined operational impacts of high penetrations of variable renewable generation in the West.

Effect of Liquid Crystalline Systems Containing Antimicrobial Compounds on Infectious Skin Bacteria.

Science.gov (United States)

Souza, Carla; Watanabe, Evandro; Aires, Carolina Patrícia; Lara, Marilisa Guimarães

2017-08-01

This study aimed (i) to prepare liquid crystalline systems (LCS) of glyceryl monooleate (GMO) and water containing antibacterial compounds and (ii) to evaluate their potential as drug delivery systems for topical treatment of bacterial infections. Therefore, LCS containing CPC (cetylpyridinium chloride) (LCS/CPC) and PHMB (poly(hexamethylene biguanide) hydrochloride) (LCS/PHMB) were prepared and the liquid crystalline phases were identified by polarizing light microscopy 24 h and 7 days after preparation. The in vitro drug release profile and in vitro antibacterial activity of the systems were assessed using the double layer agar diffusion method against Staphylococcus aureus, methicillin-resistant S. aureus, Staphylococcus epidermidis, Escherichia coli, and Enterococcus faecalis. The interaction between GMO and the drugs was evaluated by a drug absorption study. Stable liquid crystalline systems containing CPC and PHMB were obtained. LCS/PHMB decreased the PHMB release rate and exerted strong antibacterial activity against all the investigated bacteria. In contrast, CPC interacted with GMO so strongly that it became attached to the system; the amount released was not sufficient to exert antibacterial activity. Therefore, the studied liquid crystalline systems were suitable to deliver PHMB, but not CPC. Accordingly, it was demonstrated that GMO interacts with each drug differently, which may interfere in the final efficiency of GMO/water LCS.

Gamma crystallins of the human eye lens.

Science.gov (United States)

Vendra, Venkata Pulla Rao; Khan, Ismail; Chandani, Sushil; Muniyandi, Anbukkarasi; Balasubramanian, Dorairajan

2016-01-01

Protein crystallins co me in three types (α, β and γ) and are found predominantly in the eye, and particularly in the lens, where they are packed into a compact, plastic, elastic, and transparent globule of proper refractive power range that aids in focusing incoming light on to the retina. Of these, the γ-crystallins are found largely in the nuclear region of the lens at very high concentrations (>400 mg/ml). The connection between their structure and inter-molecular interactions and lens transparency is an issue of particular interest. We review the origin and phylogeny of the gamma crystallins, their special structure involving the use of Greek key supersecondary structural motif, and how they aid in offering the appropriate refractive index gradient, intermolecular short range attractive interactions (aiding in packing them into a transparent ball), the role that several of the constituent amino acid residues play in this process, the thermodynamic and kinetic stability and how even single point mutations can upset this delicate balance and lead to intermolecular aggregation, forming light-scattering particles which compromise transparency. We cite several examples of this, and illustrate this by cloning, expressing, isolating and comparing the properties of the mutant protein S39C of human γS-crystallin (associated with congenital cataract-microcornea), with those of the wild type molecule. In addition, we note that human γ-crystallins are also present in other parts of the eye (e.g., retina), where their functions are yet to be understood. There are several 'crucial' residues in and around the Greek key motifs which are essential to maintain the compact architecture of the crystallin molecules. We find that a mutation that replaces even one of these residues can lead to reduction in solubility, formation of light-scattering particles and loss of transparency in the molecular assembly. Such a molecular understanding of the process helps us construct the

Visualization of phase evolution in model organic photovoltaic structures via energy-filtered transmission electron microscopy.

Science.gov (United States)

Herzing, Andrew A; Ro, Hyun Wook; Soles, Christopher L; DeLongchamp, Dean M

2013-09-24

The morphology of the active layer in an organic photovoltaic bulk-heterojunction device is controlled by the extent and nature of phase separation during processing. We have studied the effects of fullerene crystallinity during heat treatment in model structures consisting of a layer of poly(3-hexylthiophene) (P3HT) sandwiched between two layers of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM). Utilizing a combination of focused ion-beam milling and energy-filtered transmission electron microscopy, we monitored the local changes in phase distribution as a function of annealing time at 140 °C. In both cases, dissolution of PCBM within the surrounding P3HT was directly visualized and quantitatively described. In the absence of crystalline PCBM, the overall phase distribution remained stable after intermediate annealing times up to 60 s, whereas microscale PCBM aggregates were observed after annealing for 300 s. Aggregate growth proceeded vertically from the substrate interface via uptake of PCBM from the surrounding region, resulting in a large PCBM-depleted region in their vicinity. When precrystallized PCBM was present, amorphous PCBM was observed to segregate from the intermediate P3HT layer and ripen the crystalline PCBM underneath, owing to the far lower solubility of crystalline PCBM within P3HT. This process occurred rapidly, with segregation already evident after annealing for 10 s and with uptake of nearly all of the amorphous PCBM by the crystalline layer after 60 s. No microscale aggregates were observed in the precrystallized system, even after annealing for 300 s.

The effects of sulfate content on crystalline phase, microstructure, and chemical durability of zirconolite−barium borosilicate glass-ceramics

Energy Technology Data Exchange (ETDEWEB)

Wu, Lang, E-mail: lang.wu@163.com [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, Southwest University of Science and Technology, Mianyang 621010 (China); Wang, Xin; Li, Huidong; Teng, Yuancheng [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, Southwest University of Science and Technology, Mianyang 621010 (China); Peng, Long [Sichuan Province Key Laboratory of Information Materials and Devices Application, Chengdu University of Information Technology, Chengdu 610225 (China)

2016-09-15

The effects of sulfate content on structure and chemical durability of barium borosilicate glass-ceramics were studied. The results show that the glass-ceramics with 0–1.10 mol% SO{sub 3} possess mainly CaZrTi{sub 2}O{sub 7}-2M phase along with a small amount of CaZrTi{sub 2}O{sub 7}-3T and ZrO{sub 2} phases. The hexagonal CaZrTi{sub 2}O{sub 7}-3T crystals crystallize on the surface of glass-ceramics. For the samples with 1.24–1.55 mol% SO{sub 3}, the main crystalline phases are CaTiSiO{sub 5} and CaZrTi{sub 2}O{sub 7}-2M in the bulk, while a separate sulfate layer containing Na{sub 2}SO{sub 4} and BaSO{sub 4} is observed on the surface. X-ray fluorescence analysis indicates that about 2/3 of the SO{sub 3} originally added has been lost by volatility. The normalized mass loss (NL{sub i}) for Na, B, Ca elements remains almost unchanged (∼10{sup −2} g/m{sup 2}) after 7 days for the samples with 0–1.10 mol% SO{sub 3}. The NL{sub i} for both Na and B increases gradually after 7 days when the SO{sub 3} content is 1.24 mol%. - Highlights: • Strip-shaped CaZrTi{sub 2}O{sub 7}-2M and plate-like CaTiSiO{sub 5} crystals crystallize in the bulk. • CaZrTi{sub 2}O{sub 7}-3T crystals crystallize on the surface for samples with 0–1.10 mol% SO{sub 3}. • A separate sulfate layer crystallizes on the surface when SO{sub 3} exceeds solubility.

Silica intercalated crystalline zirconium phosphate-type materials

NARCIS (Netherlands)

1988-01-01

The present invention relates to intercalated crystalline zirconium phosphate-types compositions wherein the interlayers of said composition have been intercalated with three-dimensional silicon oxide pillars whereby the pillars comprise at least two silicon atom layers parallel to the clay

Blending crystalline/liquid crystalline small molecule semiconductors: A strategy towards high performance organic thin film transistors

Science.gov (United States)

He, Chao; He, Yaowu; Li, Aiyuan; Zhang, Dongwei; Meng, Hong

2016-10-01

Solution processed small molecule polycrystalline thin films often suffer from the problems of inhomogeneity and discontinuity. Here, we describe a strategy to solve these problems through deposition of the active layer from a blended solution of crystalline (2-phenyl[1]benzothieno[3,2-b][1]benzothiophene, Ph-BTBT) and liquid crystalline (2-(4-dodecylphenyl) [1]benzothieno[3,2-b]benzothiophene, C12-Ph-BTBT) small molecule semiconductors with the hot spin-coating method. Organic thin film transistors with average hole mobility approaching 1 cm2/V s, much higher than that of single component devices, have been demonstrated, mainly due to the improved uniformity, continuity, crystallinity, and stronger intermolecular π-π stacking in blend thin films. Our results indicate that the crystalline/liquid crystalline semiconductor blend method is an effective way to enhance the performance of organic transistors.

Effect of Ultrasonic Vibration on Mechanical Properties of 3D Printing Non-Crystalline and Semi-Crystalline Polymers.

Science.gov (United States)

Li, Guiwei; Zhao, Ji; Wu, Wenzheng; Jiang, Jili; Wang, Bofan; Jiang, Hao; Fuh, Jerry Ying Hsi

2018-05-17

Fused deposition modeling 3D printing has become the most widely used additive manufacturing technology because of its low manufacturing cost and simple manufacturing process. However, the mechanical properties of the 3D printing parts are not satisfactory. Certain pressure and ultrasonic vibration were applied to 3D printed samples to study the effect on the mechanical properties of 3D printed non-crystalline and semi-crystalline polymers. The tensile strength of the semi-crystalline polymer polylactic acid was increased by 22.83% and the bending strength was increased by 49.05%, which were almost twice the percentage increase in the tensile strength and five times the percentage increase in the bending strength of the non-crystalline polymer acrylonitrile butadiene styrene with ultrasonic strengthening. The dynamic mechanical properties of the non-crystalline and semi-crystalline polymers were both improved after ultrasonic enhancement. Employing ultrasonic energy can significantly improve the mechanical properties of samples without modifying the 3D printed material or adjusting the forming process parameters.

Dry Powder Precursors of Cubic Liquid Crystalline Nanoparticles (cubosomes)

International Nuclear Information System (INIS)

Spicer, Patrick T.; Small, William B.; Small, William B.; Lynch, Matthew L.; Burns, Janet L.

2002-01-01

Cubosomes are dispersed nanostructured particles of cubic phase liquid crystal that have stimulated significant research interest because of their potential for application in controlled-release and drug delivery. Despite the interest, cubosomes can be difficult to fabricate and stabilize with current methods. Most of the current work is limited to liquid phase processes involving high shear dispersion of bulk cubic liquid crystalline material into sub-micron particles, limiting application flexibility. In this work, two types of dry powder cubosome precursors are produced by spray-drying: (1) starch-encapsulated monoolein is produced by spray-drying a dispersion of cubic liquid crystalline particles in an aqueous starch solution and (2) dextran-encapsulated monoolein is produced by spray-drying an emulsion formed by the ethanol-dextran-monoolein-water system. The encapsulants are used to decrease powder cohesion during drying and to act as a soluble colloidal stabilizer upon hydration of the powders. Both powders are shown to form (on average) 0.6 μm colloidally-stable cubosomes upon addition to water. However, the starch powders have a broader particle size distribution than the dextran powders because of the relative ease of spraying emulsions versus dispersions. The developed processes enable the production of nanostructured cubosomes by end-users rather than just specialized researchers and allow tailoring of the surface state of the cubosomes for broader application

Trilayered Morphology of an ABC Triple Crystalline Triblock Terpolymer

KAUST Repository

Palacios, Jordana K.

2017-09-07

Triple crystalline triblock terpolymers are materials with remarkable semicrystalline superstructures. In this work, we report for first time the alternating triple lamellar morphology that self-assembles inside spherulites of a triblock terpolymer composed of poly(ethylene oxide) (PEO), poly(ε-caprolactone) (PCL), and poly(l-lactide) (PLLA). The morphology of the PEO-b-PCL-b-PLLA triblock terpolymer is compared to an analogous PCL-b-PLLA diblock copolymer. Both diblock and triblock form a single phase in the melt. Two crystallization protocols were employed to create particular crystalline morphologies. In both cases, the isothermal crystallization of the PLA block is induced first (at 81 °C, a temperature above the melting points of both PCL and PEO blocks) and PLLA spherulites form a template, whereupon cooling the other two blocks can crystallize within the PLLA interlamellar spaces. WAXS analysis demonstrated the double crystalline and triple crystalline nature of the materials. The lamellar structure was evaluated by AFM observations and SAXS measurements. Moreover, theoretical SAXS curves of one-dimensional structural models were calculated. AFM micrographs of the triblock terpolymer evidenced the three different lamellae of PLLA, PCL and PEO that coexist together within the same spherulite. Three different lamellar thickness were determined, and their dimensions suggested that all blocks crystallized in chain-folded conformations. The evolution of the triple lamellar morphology during heating of tricrystalline samples was followed by in situ synchrotron SAXS measurements. The theoretical analysis of the SAXS curves of the triblock terpolymer allowed us to propose a stacking morphological model, in which a particular trilayer structure exists, where one lamella of PCL or one lamella of PEO is inserted randomly between two adjacent PLLA lamellae.

Metal - Insulator Transition Driven by Vacancy Ordering in GeSbTe Phase Change Materials

OpenAIRE

Bragaglia, Valeria; Arciprete, Fabrizio; Privitera, Stefania; Rimini, Emanuele; Mazzarello, Riccardo; Calarco, Raffaella; Zhang, Wei; Mio, Antonio Massimiliano; Zallo, Eugenio; Perumal, Karthick; Giussani, Alessandro; Cecchi, Stefano; Boschker, Jos Emiel; Riechert, Henning

2016-01-01

Phase Change Materials (PCMs) are unique compounds employed in non-volatile random access memory thanks to the rapid and reversible transformation between the amorphous and crystalline state that display large differences in electrical and optical properties. In addition to the amorphous-to-crystalline transition, experimental results on polycrystalline GeSbTe alloys (GST) films evidenced a Metal-Insulator Transition (MIT) attributed to disorder in the crystalline phase. Here we report on a f...

Mixing induced reactive transport in fractured crystalline rocks

International Nuclear Information System (INIS)

Martinez-Landa, Lurdes; Carrera, Jesus; Dentz, Marco; Fernàndez-Garcia, Daniel; Nardí, Albert; Saaltink, Maarten W.

2012-01-01

In this paper the solute retention properties of crystalline fractured rocks due to mixing-induced geochemical reactions are studied. While fractured media exhibit paths of fast flow and transport and thus short residence times for conservative solutes, at the same time they promote mixing and dilution due to strong heterogeneity, which leads to sharp concentration contrasts. Enhanced mixing and dilution have a double effect that favors crystalline fractured media as a possible host medium for nuclear waste disposal. Firstly, peak radionuclide concentrations are attenuated and, secondly, mixing-induced precipitation reactions are enhanced significantly, which leads to radionuclide immobilization. An integrated framework is presented for the effective modeling of these flow, transport and reaction phenomena, and the interaction between them. In a simple case study, the enhanced dilution and precipitation potential of fractured crystalline rocks are systematically studied and quantified and contrasted it to retention and attenuation in an equivalent homogeneous formation.

Molecular Dynamics Simulation of Nanoindentation-induced Mechanical Deformation and Phase Transformation in Monocrystalline Silicon

Directory of Open Access Journals (Sweden)

Jian Sheng-Rui

2008-01-01

Full Text Available AbstractThis work presents the molecular dynamics approach toward mechanical deformation and phase transformation mechanisms of monocrystalline Si(100 subjected to nanoindentation. We demonstrate phase distributions during loading and unloading stages of both spherical and Berkovich nanoindentations. By searching the presence of the fifth neighboring atom within a non-bonding length, Si-III and Si-XII have been successfully distinguished from Si-I. Crystallinity of this mixed-phase was further identified by radial distribution functions.

Linking Spectral Features with Composition, Crystallinity, and Roughness Properties of Silica and Implications for Candidate Hydrothermal Systems on Mars

Science.gov (United States)

Hamilton, V. E.; McDowell, M. L.; Berger, J. A.; Cady, S. L.; Knauth, L. P.

2011-12-01

laboratory data typically are recognizable in hyperspectral remote sensing data. These features are more difficult to distinguish (or are not included) at multispectral resolutions, but in nearly all uncontaminated samples, the positions of Si-O emissivity minima shift towards longer wavelengths with decreasing crystallinity. Contaminating phases with strong VNIR spectral features are observed in some of the TIR spectra but have a negligible effect in others, suggesting that TIR spectroscopy helps constrain the abundances of these phases. In addition to compositional and crystallinity information, our laboratory data demonstrate that TIR spectra can be used to deduce important information on silica phases' texture and orientation. If used in combination, VNIR and TIR spectroscopy can detect and characterize silica phases, allowing us to estimate conditions of silica formation, e.g., high- or low-temperature aqueous systems.

Direct Visualisation of the Structural Transformation between the Lyotropic Liquid Crystalline Lamellar and Bicontinuous Cubic Mesophase.

Science.gov (United States)

Tran, Nhiem; Zhai, Jiali; Conn, Charlotte E; Mulet, Xavier; Waddington, Lynne J; Drummond, Calum J

2018-05-29

The transition between the lyotropic liquid crystalline lamellar and the bicontinuous cubic mesophase drives multiple fundamental cellular processes involving changes in cell membrane topology including endocytosis and membrane budding. While several theoretical models have been proposed to explain this dynamic transformation, experimental validation of these models has been challenging due to the short lived nature of the intermediates present during the phase transition. Herein, we report the direct observation of a lamellar to bicontinuous cubic phase transition in nanoscale dispersions using a combination of cryogenic transmission electron microscopy and static small angle X-ray scattering. The results represent the first experimental confirmation of a theoretical model which proposed that the bicontinuous cubic phase originates from the centre of a lamellar vesicle, then propagates outward via the formation of inter-lamellar attachments and stalks. The observation was possible due to the precise control of the lipid composition to place the dispersion systems at the phase boundary of a lamellar and a cubic phase, allowing for the creation of long-lived structural intermediates. By surveying the nanoparticles using cryogenic transmission electron microscopy, a complete phase transition sequence was established.

Infrared Spectra and Optical Constants of Astronomical Ices: I. Amorphous and Crystalline Acetylene

Science.gov (United States)

Hudson, R. L.; Ferrante, R. F.; Moore, M. H.

2013-01-01

Here we report recent measurements on acetylene (C2H2) ices at temperatures applicable to the outer Solar System and the interstellar medium. New near- and mid-infrared data, including optical constants (n, k), absorption coefficients (alpha), and absolute band strengths (A), are presented for both amorphous and crystalline phases of C2H2 that exist below 70 K. Comparisons are made to earlier work. Electronic versions of the data are made available, as is a computer routine to use our reported n and k values to simulate the observed IR spectra. Suggestions are given for the use of the data and a comparison to a spectrum of Makemake is made.

Confinement and stability of crystalline beams in storage rings

International Nuclear Information System (INIS)

Haffmans, A.F.

1995-01-01

We present a fully analytical approach to the study of the confinement and stability of open-quote open-quote Crystalline Beams close-quote close-quote in storage rings, in terms of such fundamental accelerator concepts as tune shift and stopband. We consider a open-quote open-quote Crystalline Beam close-quote close-quote consisting of substrings, arranged symmetrically around the reference trajectory, and we examine the motion of a slightly perturbed test particle on one of them. Our approach quite naturally leads to the conclusion, that (a) storage rings need to be operated below the transition energy, and (b) the open-quote open-quote Crystalline Beam close-quote close-quote has the same periodicity as the storage ring. Each open-quote open-quote Crystalline Beam close-quote close-quote has an upper and lower limit of the spacing between the ions. The upper limit is determined by condition (b), and the lower limit is set by the stability of the test particle motion around the equilibrium. copyright 1995 American Institute of Physics

The cataclasis in the crystalline basement of Northern Switzerland

International Nuclear Information System (INIS)

Meyer, J.

1987-01-01

In the crystalline basement of Northern Switzerland two main phases of cataclastic deformation can be distinguished: a 'cataclasis 1' in a higher temperature hydrothermal regime, as a consequence of tectonic and magmatic-hydrothermal events in Upper Carboniferous time and a lower temperature 'cataclasis 2', which can be related to Permian tectonics at the northern margin of the Paleozoic Konstanz-Frick trough. These cataclases are interpreted as a result of longlasting and complex tectonic processes at shallow crustal levels. (author) 30 refs., 4 figs

Atomically flat single-crystalline gold nanostructures for plasmonic nanocircuitry

Energy Technology Data Exchange (ETDEWEB)

Huang, J S; Geisler, P; Bruening, C; Kern, J; Prangsma, J C; Wu, X; Feichtner, Thorsten; Ziegler, J; Weinmann, P; Kamp, M; Forchel, A; Hecht, B [Wilhelm-Conrad-Roentgen-Center for Complex Material Systems, University of Wuerzburg (Germany); Biagioni, P [CNISM, Dipartimento di Fisica, Politecnico di Milano (Italy)

2011-07-01

Deep subwavelength integration of high-definition plasmonic nano-structures is of key importance for the development of future optical nanocircuitry. So far the experimental realization of proposed extended plasmonic networks remains challenging, mainly due to the multi-crystallinity of commonly used thermally evaporated gold layers. Resulting structural imperfections in individual circuit elements drastically reduce the yield of functional integrated nanocircuits. Here we demonstrate the use of very large but thin chemically grown single-crystalline gold flakes. After immobilization on any arbitrary surface, they serve as an ideal basis for focused-ion beam milling. We present high-definition ultra-smooth gold nanostructures with reproducible nanosized features over micrometer lengthscales. By comparing multi- and single-crystalline optical antennas we prove that the latter have superior optical properties which are in good agreement with numerical simulations.

Amorphous-crystalline transition studied in hydrated MoO3

International Nuclear Information System (INIS)

Camacho-Lopez, M.A.; Haro-Poniatowski, E.; Lartundo-Rojas, L.; Livage, J.; Julien, C.M.

2006-01-01

In this work we study the thermal behavior of hydrated MoO 3 synthesized via acidification of sodium molybdate. MoO 3 .nH 2 O (n = 1.4) amorphous compound was heated in air at increasing temperatures in order to obtain the crystalline MoO 3 phase. We have studied the structural changes as a function of annealing temperature by Raman spectroscopy. A statistical study to determine the average size of the crystallites at each annealing step has been realized by scanning electron microscopy. Results show that the hydrated MoO 3 .1.4H 2 O glass transforms in an amorphous MoO 3 .0.7H 2 O phase prior to its crystallization, while the sample heated at 500 deg. C crystallizes into the orthorhombic α-MoO 3 phase with micro-crystallites having an average size of 6.8 μm

Josephson phase qubit circuit for the evaluation of advanced tunnel barrier materials

Energy Technology Data Exchange (ETDEWEB)

Kline, Jeffrey S; Oh, Seongshik; Pappas, David P [National Institute of Standards and Technology, Boulder, CO 80305 (United States); Wang Haohua; Martinis, John M [Department of Physics, University of California, Santa Barbara, CA 93106 (United States)], E-mail: klinej@nist.gov

2009-01-15

We have found that crystalline Josephson junctions have problems with the control of critical current density that decrease the circuit yield. We present a superconducting quantum bit circuit designed to accommodate a factor of five variation in critical current density from one fabrication run to the next. The new design enables the evaluation of advanced tunnel barrier materials for superconducting quantum bits. Using this circuit design, we compare the performance of Josephson phase qubits fabricated with MgO and Al{sub 2}O{sub 3} advanced crystalline tunnel barriers to AlO{sub x} amorphous tunnel barrier qubits.

Formation of crystalline InGaO_3(ZnO)_n nanowires via the solid-phase diffusion process using a solution-based precursor

International Nuclear Information System (INIS)

Guo, Yujie; Seo, Jin Won; Bilzen, Bart Van; Locquet, Jean Pierre

2015-01-01

One-dimensional single crystalline InGaO_3(ZnO)_n (IGZO) nanostructures have great potential for various electrical and optical applications. This paper demonstrates for the first time, to our knowledge, a non-vacuum route for the synthesis of IGZO nanowires by annealing ZnO nanowires covered with solution-based IGZO precursor. This method results in nanowires with highly periodic IGZO superlattice structure. The phase transition of IGZO precursor during thermal treatment was systematically studied. Transmission electron microscopy studies reveal that the formation of the IGZO structure is driven by anisotropic inter-diffusion of In, Ga, and Zn atoms, and also by the crystallization of the IGZO precursor. Optical measurements using cathodoluminescence and UV-vis spectroscopy confirm that the nanowires consist of the IGZO compound with wide optical band gap and suppressed luminescence. (paper)

Effect of glycation on α-crystallin structure and chaperone-like function

Science.gov (United States)

Kumar, P. Anil; Kumar, M. Satish; Reddy, G. Bhanuprakash

2007-01-01

The chaperone-like activity of α-crystallin is considered to play an important role in the maintenance of the transparency of the eye lens. However, in the case of aging and in diabetes, the chaperone function of α-crystallin is compromized, resulting in cataract formation. Several post-translational modifications, including non-enzymatic glycation, have been shown to affect the chaperone function of α-crystallin in aging and in diabetes. A variety of agents have been identified as the predominant sources for the formation of AGEs (advanced glycation end-products) in various tissues, including the lens. Nevertheless, glycation of α-crystallin with various sugars has resulted in divergent results. In the present in vitro study, we have investigated the effect of glucose, fructose, G6P (glucose 6-phosphate) and MGO (methylglyoxal), which represent the major classes of glycating agents, on the structure and chaperone function of α-crystallin. Modification of α-crystallin with all four agents resulted in the formation of glycated protein, increased AGE fluorescence, protein cross-linking and HMM (high-molecular-mass) aggregation. Interestingly, these glycation-related profiles were found to vary with different glycating agents. For instance, CML [Nϵ-(carboxymethyl)lysine] was the predominant AGE formed upon glycation of α-crystallin with these agents. Although fructose and MGO caused significant conformational changes, there were no significant structural perturbations with glucose and G6P. With the exception of MGO modification, glycation with other sugars resulted in decreased chaperone activity in aggregation assays. However, modification with all four sugars led to the loss of chaperone activity as assessed using an enzyme inactivation assay. Glycation-induced loss of α-crystallin chaperone activity was associated with decreased hydrophobicity. Furthermore, α-crystallin isolated from glycated TSP (total lens soluble protein) had also increased AGE

Controlling the physical parameters of crystalline CIGS nanowires for use in superstrate configuration using vapor phase epitaxy

Science.gov (United States)

Lee, Dongjin; Jeon, H. C.; Kang, T. W.; Kumar, Sunil

2018-03-01

Indium tin oxide (ITO) is a suitable candidate for smart windows and bifacial semi-transparent solar cell applications. In this study, highly crystalline CuInGaSe2 (CIGS) nanowires were successfully grown by horizontal-type vapor phase epitaxy on an ITO substrate. Length, diameter, and density of the nanowires were studied by varying the growth temperature (500, 520, and 560 °C), time (3.5, 6.5, and 9.5 h), and type of catalyst (In, Au, and Ga). Length, diameter, and density of the nanowires were found to be highly dependent on the growth conditions. At an optimized growth period and temperature of 3.5 h and 520 °C, respectively, the length and diameter of the nanowires were found to increase when grown in a catalyst-free environment. However, the density of the nanowires was found to be higher while using a catalyst during growth. Even in a catalyst-free environment, an Indium cluster formed at the bottom of the nanowires. The source of these nanowires is believed to be Indium from the ITO substrate which was observed in the EDS measurement. TEM-based EDS and line EDS indicated that the nanowires are made up of CIGS material with a very low Gallium content. XRD measurements also show the appearance of wurtzite CIS nanowires grown on ITO in addition to the chalcopyrite phase. PL spectroscopy was done to see the near-band-edge emission for finding band-to-band optical transition in this material. Optical response of the CIGS nanowire network was also studied to see the photovoltaic effect. This work creates opportunities for making real solar cell devices in superstrate configuration.

Phase change memory based on SnSe{sub 4} alloy

Energy Technology Data Exchange (ETDEWEB)

Karanja, J.M.; Karimi, P.M.; Njoroge, W.K. [Physics Department, Kenyatta University, P.O. Box 43844, Nairobi (Kenya); Wamwangi, D.M., E-mail: Daniel.Wamwangi@wits.ac.za [School of Physics, University of the Witwatersrand, Private Bag 3, 2050 (South Africa)

2013-01-01

A phase change alloy has been synthesized and characterized. The reversible phase transitions between amorphous and crystalline states of SnSe{sub 4} films have been studied using variable electrical pulses and X-ray diffraction. Temperature dependent sheet resistance measurements have shown two distinct resistivity states of more than two orders of magnitude. This high electrical contrast makes the alloy suitable for nonvolatile phase change memory applications. X-ray diffraction has attributed the large electrical contrast to an amorphous–crystalline phase transition. The nonvolatile memory cells have been fabricated using a simple sandwich structure (metal/chalcogenide thin film/metal). A threshold voltage of 3.71 V has been determined for this phase change random access memory cell. Memory switching was initiated using the voltage pulses of 3.71 V, 90 ns, 1.3 V and 26 μs, for the crystallization and amorphization process, respectively. - Highlights: ► Phase transition of SnSe{sub 4} alloys with high set resistivity of 1.43 Ωm ► High transition temperatures of 174 °C ► Transition due to amorphous–crystalline changes ► Threshold switching at a high threshold voltage of 3.71 V.

Liquid Phase Epitaxial Growth of Al-doped f-SiC for White Light-Emitting Diodes

DEFF Research Database (Denmark)

Tang, Kai; Ma, Xiang; can der Eijk, Casper

efficiency, better light quality and longer lifespan, compared to the current yellow phosphor based white LEDs.Liquid phase epitaxy technology can yield a high crystalline quality in terms of structural perfection owing to the fact that it is a near equilibrium crystalline growth process. In addition....... The experimental results are presented and discussed. Since operational temperature of LPE growth is much lower than that currently used in physical vapour transport (PVT) process, it is expected to save the energy consumption for SiC crystal growth....

Neutron transmission through crystalline Fe

International Nuclear Information System (INIS)

Adib, M.; Habib, N.; Kilany, M.; El-Mesiry, M.S.

2004-01-01

The neutron transmission through crystalline Fe has been calculated for neutron energies in the range 10 4 < E<10 eV using an additive formula. The formula permits calculation of the nuclear capture, thermal diffuse and Bragg scattering cross-section as a function of temperature and crystalline form. The obtained agreement between the calculated values and available experimental ones justifies the applicability of the used formula. A feasibility study on using poly-crystalline Fe as a cold neutron filter and a large Fe single crystal as a thermal one is given

The physics of large deformation of crystalline solids

CERN Document Server

Bell, James F

1968-01-01

Historically, a major problem for the study of the large deformation of crystalline solids has been the apparent lack of unity in experimentally determined stress-strain functions. The writer's discovery in 1949 of the unexpectedly high velocity of incremental loading waves in pre-stressed large deformation fields emphasized to him the pressing need for the independent, systematic experimental study of the subject, to provide a firm foundation upon which physically plausible theories for the finite deformation of crystalline solids could be constructed. Such a study undertaken by the writer at that time and continued uninterruptedly to the present, led in 1956 to the development of the diffraction grating experiment which permitted, for the first time, the optically accurate determination of the strain-time detail of non-linear finite amplitude wave fronts propagating into crystalline solids whose prior history was precisely known. These experimental diffraction grating studies during the past decade have led...

Liquid crystalline systems containing Vitamin E TPGS for the controlled transdermal nicotine delivery

Directory of Open Access Journals (Sweden)

Lívia Neves Borgheti-Cardoso

Full Text Available ABSTRACT Transdermal nicotine patches have been used in smoking cessation therapy, suggested for the treatment of skin disorders with eosinophilic infiltration and have been found to improve attention performance in patients with Alzheimer's disease and age-associated memory impairment. However, skin irritation with extended patch use is still a problem. The aim of this work was to develop a simple to prepare liquid crystalline system containing vitamin E TPGS that would be able to control nicotine delivery and reduce irritation and sensitization problems. The liquid crystalline phases were macroscopically characterized by visual analysis and examined microscopically under a polarized light microscope. Topical and transdermal delivery of nicotine were investigated in vitro using porcine ear skin mounted on a Franz diffusion cell. Nicotine skin permeation from the developed cubic phase followed zero-order kinetics (r = 0.993 and was significantly enhanced after 12 h when compared to the control formulation (nicotine solution (p < 0.05 (138.86 ± 20.44 and 64.91 ± 4.06 μg/cm2, respectively. Cubic phase was also able to target viable skin layers in comparison to control solution (8.18 ± 1.89 and 2.63 ± 2.51 μg/cm2, respectively. Further studies to evaluate skin sensitization and irritation are now necessary.

Hydrothermal synthesis of highly crystalline RuS{sub 2} nanoparticles as cathodic catalysts in the methanol fuel cell and hydrochloric acid electrolysis

Energy Technology Data Exchange (ETDEWEB)

Li, Yanjuan [Key Laboratory of Marine Chemistry Theory and Technology, Minisry of Education Ocean University of China, Qingdao, 266100 (China); College of Material Science and Engineering, Key Laboratory of Automobile Materials of Ministry of Education, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); Li, Nan, E-mail: lin@jlu.edu.cn [College of Material Science and Engineering, Key Laboratory of Automobile Materials of Ministry of Education, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); Yanagisawa, Kazumichi [Research Laboratory of Hydrothermal Chemistry, Kochi University, Kochi 780-8520 (Japan); Li, Xiaotian [College of Material Science and Engineering, Key Laboratory of Automobile Materials of Ministry of Education, Jilin University, 2699 Qianjin Street, Changchun 130012 (China); Yan, Xiao [Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), College of Physics, Jilin University, Changchun 130012 (China)

2015-05-15

Highlights: • Highly crystalline RuS{sub 2} nanoparticles have been first synthesized by a “one-step” hydrothermal method. • The product presents a pure cubic phase of stoichiometric ratio RuS{sub 2} with average particle size of 14.8 nm. • RuS{sub 2} nanoparticles were used as cathodic catalysts in methanol fuel cell and hydrochloric acid electrolysis. • The catalyst outperforms commercial Pt/C in methanol tolerance and stability towards Cl{sup −}. - Abstract: Highly crystalline ruthenium sulfide (RuS{sub 2}) nanoparticles have been first synthesized by a “one-step” hydrothermal method at 400 °C, using ruthenium chloride and thiourea as reactants. The products were characterized by powder X-ray diffraction (XRD), scanning electron microscopy/energy disperse spectroscopy (SEM/EDS), thermo gravimetric-differential thermal analyze (TG-DTA), transmission electron microscopy equipped with selected area electron diffraction (TEM/SAED). Fourier transform infrared spectra (IR), and X-ray photoelectron spectroscopy (XPS). XRD result illustrates that the highly crystalline product presents a pure cubic phase of stoichiometric ratio RuS{sub 2} and the average particle size is 14.8 nm. SEM and TEM images display the products have irregular shape of 6–25 nm. XPS analyst indicates that the sulfur exists in the form of S{sub 2}{sup 2−}. Cyclic voltammetry (CV), rotating disk electrode (RDE), chronoamperometry (CA) and electrochemical impedance spectroscopy (EIS) measurements are conducted to evaluate the electrocatalytic activity and stability of the highly crystalline RuS{sub 2} nanoparticles in oxygen reduction reaction (ORR) for methanol fuel cell and hydrochloric acid electrolysis. The results illustrate that RuS{sub 2} is active towards oxygen reduction reaction. Although the activity of RuS{sub 2} is lower than that of Pt/C, the RuS{sub 2} catalyst outperforms commercial Pt/C in methanol tolerance and stability towards Cl{sup −}.

Clay intercalation and influence on crystallinity of EVA-based clay nanocomposites

International Nuclear Information System (INIS)

Chaudhary, D.S.; Prasad, R.; Gupta, R.K.; Bhattacharya, S.N.

2005-01-01

Various polymer clay nanocomposites (PCNs) were prepared from ethylene vinyl acetate copolymer (EVA) with 9, 18 and 28% vinyl acetate (VA) content filled with different wt.% (2.5, 5 and 7.5) of a Montmorillonite-based organo-modified clay (Cloisite[reg] C15A and C30B). The PCNs were prepared using melt blending techniques. Morphological information regarding intercalation and exfoliation were determined by using wide-angle X-ray scattering (WAXS) and transmission electron microscopy (TEM). WAXS and TEM confirmed that increasing the VA content was necessary to achieve greater clay-polymer interaction as seen from the comparatively higher intercalation of clay platelets with 28% VA. The effect of addition of clay on the development and the modification of crystalline morphology in EVA matrix was also studied using WAXS and temperature-modulated differential scanning calorimetry (MDSC). Results are presented showing that the addition of clay platelets does not increase the matrix crystallinity but the morphology was significantly modified such that there was an increase in the 'rigid' amorphous phase. Mechanical properties were also evaluated against the respective morphological information for each specimen and there are indications that the level of clay-polymer interaction plays a significant role in such morphological modification, and in such a way that affects the final PCN mechanical properties which has wide and significant applications in the packaging industries

Exposure to dust mixtures containing free crystalline silica and mineral fibers

International Nuclear Information System (INIS)

Wozniak, H.; Wiecek, E.; Bielichowska-Cybula, G.

1996-01-01

Exposure to dust mixture containing at the same time respirable mineral fibres and free crystalline silica may occur in Poland in mines and in the Lower Silesia plants processing mineral raw materials as well as in all plants which use asbestos products and MMMF. Workposts where thermal insulation is exchange with possible phase transformations during operations under conditions of high temperature, expose particularly complex problems. In the work environment of this kind, dust concentration of free crystalline silica becomes important but not sufficient criterion for evaluating working conditions and it may be misleading. A range of studies indispensable for the proper evaluation of exposure to dust, covering together with measurement of dust and SiO 2 concentrations, determination of the mineral composition of dust, was developed. It was also found that the acceptable level of risk for neoplastic disease, namely 10(-3) can be attained in the work environment only if the concentration ranges from 0.05 to 0.1 f/cm 3 , that is equal to 20% of MAC value which is now binding in Poland. Cancer risk (lung cancer and mesothelioma jointly) during a 20-year exposure to concentrations equal to present MAC values should be estimated as about 10(-2) what indicates that risk is too high and it is necessary to diminish MAC values for asbestos dust. (author). 17 refs, 3 tabs

Phase transitions and dynamic entropy in small two-dimensional systems: Experiment and numerical simulation

Energy Technology Data Exchange (ETDEWEB)

Koss, K. G.; Petrov, O. F.; Myasnikov, M. I., E-mail: miasnikovmi@mail.ru; Statsenko, K. B.; Vasiliev, M. M. [Russian Academy of Sciences, Joint Institute for High Temperatures (Russian Federation)

2016-07-15

The results of experimental and numerical analysis are presented for phase transitions in strongly nonequilibrium small systems of strongly interacting Brownian particles. The dynamic entropy method is applied to analysis of the state of these systems. Experiments are carried out with kinetic heating of the structures of micron-size particles in a laboratory rf discharge plasma. Three phase states of these small systems are observed: crystalline, liquid, and transient. The mechanism of phase transitions in cluster structures of strongly interacting particles is described.

Structural phase transition and erasable optically memorized effect in layered γ-In2Se3 crystals

International Nuclear Information System (INIS)

Ho, Ching-Hwa; Chen, Ying-Cen; Pan, Chia-Chi

2014-01-01

We have grown In 2 Se 3 layered-type crystals using chemical vapor transport method with ICl 3 as the transport agent. The as-grown crystals show two different color groups of black shiny for α-phase In 2 Se 3 and red to yellow for γ-phase In 2 Se 3 . High-resolution transmission electron micro scopy verifies crystalline state and structural polytype of the as-grown In 2 Se 3 . The results indicate that the α-In 2 Se 3 crystals present more crystalline states than those of the other amorphous γ-In 2 Se 3 . The amorphous effect on the advancing of optoelectronic property of γ-In 2 Se 3 shows erasable optical-memorized effect in the disordered and polycrystalline γ-In 2 Se 3 layers. Laser-induced photodarkening and annealed-recovery test verified that a reversible structural-phase transition of γ↔α can occur inside the γ-In 2 Se 3 . Thermoreflectance and Raman scattering measurements are carried out to identify the inter-phase transformation of the γ-In 2 Se 3 polycrystals using different heat treatments. Direct band gaps and Raman vibration modes for the γ- and α-In 2 Se 3 crystalline phases are, respectively, characterized and identified. The character of γ↔α inter-phase transition promotes feasible optical and optoelectronic applications of the γ-In 2 Se 3 material in optical memory, optics, and solar-energy devices

Structural phase transition and erasable optically memorized effect in layered γ-In2Se3 crystals

Science.gov (United States)

Ho, Ching-Hwa; Chen, Ying-Cen; Pan, Chia-Chi

2014-01-01

We have grown In2Se3 layered-type crystals using chemical vapor transport method with ICl3 as the transport agent. The as-grown crystals show two different color groups of black shiny for α-phase In2Se3 and red to yellow for γ-phase In2Se3. High-resolution transmission electron micro scopy verifies crystalline state and structural polytype of the as-grown In2Se3. The results indicate that the α-In2Se3 crystals present more crystalline states than those of the other amorphous γ-In2Se3. The amorphous effect on the advancing of optoelectronic property of γ-In2Se3 shows erasable optical-memorized effect in the disordered and polycrystalline γ-In2Se3 layers. Laser-induced photodarkening and annealed-recovery test verified that a reversible structural-phase transition of γ↔α can occur inside the γ-In2Se3. Thermoreflectance and Raman scattering measurements are carried out to identify the inter-phase transformation of the γ-In2Se3 polycrystals using different heat treatments. Direct band gaps and Raman vibration modes for the γ- and α-In2Se3 crystalline phases are, respectively, characterized and identified. The character of γ↔α inter-phase transition promotes feasible optical and optoelectronic applications of the γ-In2Se3 material in optical memory, optics, and solar-energy devices.

Control of composition and crystallinity in hydroxyapatite films deposited by electron cyclotron resonance plasma sputtering

Science.gov (United States)

Akazawa, Housei; Ueno, Yuko

2014-01-01

Hydroxyapatite (HAp) films were deposited by electron cyclotron resonance plasma sputtering under a simultaneous flow of H2O vapor gas. Crystallization during sputter-deposition at elevated temperatures and solid-phase crystallization of amorphous films were compared in terms of film properties. When HAp films were deposited with Ar sputtering gas at temperatures above 460 °C, CaO byproducts precipitated with HAp crystallites. Using Xe instead of Ar resolved the compositional problem, yielding a single HAp phase. Preferentially c-axis-oriented HAp films were obtained at substrate temperatures between 460 and 500 °C and H2O pressures higher than 1×10-2 Pa. The absorption signal of the asymmetric stretching mode of the PO43- unit (ν3) in the Fourier-transform infrared absorption (FT-IR) spectra was the narrowest for films as-crystallized during deposition with Xe, but widest for solid-phase crystallized films. While the symmetric stretching mode of PO43- (ν1) is theoretically IR-inactive, this signal emerged in the FT-IR spectra of solid-phase crystallized films, but was absent for as-crystallized films, indicating superior crystallinity for the latter. The Raman scattering signal corresponding to ν1 PO43- sensitively reflected this crystallinity. The surface hardness of as-crystallized films evaluated by a pencil hardness test was higher than that of solid-phase crystallized films.

Effect of Nano-crystalline Ceramic Coats Produced by Plasma Electrolytic Oxidation on Corrosion Behavior of AA5083 Aluminum Alloy

International Nuclear Information System (INIS)

Thayananth, T.; Muthupandi, V.; Rao, S. R. Koteswara

2010-01-01

High specific strength offered by aluminum and magnesium alloys makes them desirable in modern transportation industries. Often the restrictions imposed on the usage of these alloys are due to their poor tribological and corrosion properties. However, their corrosion properties can be further enhanced by synthesizing ceramic coating on the substrate through Plasma Electrolytic Oxidation (PEO) process. In this study, nano-crystalline alumina coatings were formed on the surface of AA5083 aluminum alloy test coupons using PEO process in aqueous alkali-silicate electrolyte with and without addition of sodium aluminate. X-ray diffraction (XRD) studies showed that the crystallite size varied between 38 and 46 nm and α- and γ- alumina were the dominant phases present in the coatings. Corrosion studies by potentiodynamic polarization tests in 3.5% NaCl revealed that the electrolyte composition has an influence on the corrosion resistance of nano-crystalline oxide layer formed.

An SPICE model for phase-change memory simulations

International Nuclear Information System (INIS)

Li Xi; Song Zhitang; Cai Daolin; Chen Xiaogang; Chen Houpeng

2011-01-01

Along with a series of research works on the physical prototype and properties of the memory cell, an SPICE model for phase-change memory (PCM) simulations based on Verilog-A language is presented. By handling it with the heat distribution algorithm, threshold switching theory and the crystallization kinetic model, the proposed SPICE model can effectively reproduce the physical behaviors of the phase-change memory cell. In particular, it can emulate the cell's temperature curve and crystallinity profile during the programming process, which can enable us to clearly understand the PCM's working principle and program process. (semiconductor devices)

An SPICE model for phase-change memory simulations

Energy Technology Data Exchange (ETDEWEB)

Li Xi; Song Zhitang; Cai Daolin; Chen Xiaogang; Chen Houpeng, E-mail: ituluck@mail.sim.ac.cn [State Key Laboratory of Functional Materials for Informatics, Laboratory of Nanotechnology, Shanghai Institute of Microsystem and Information Technology, Chinese Academy of Sciences, Shanghai 200050 (China)

2011-09-15

Along with a series of research works on the physical prototype and properties of the memory cell, an SPICE model for phase-change memory (PCM) simulations based on Verilog-A language is presented. By handling it with the heat distribution algorithm, threshold switching theory and the crystallization kinetic model, the proposed SPICE model can effectively reproduce the physical behaviors of the phase-change memory cell. In particular, it can emulate the cell's temperature curve and crystallinity profile during the programming process, which can enable us to clearly understand the PCM's working principle and program process. (semiconductor devices)

First-principles study of crystalline and amorphous AlMgB14-based materials

International Nuclear Information System (INIS)

Ivashchenko, V. I.; Shevchenko, V. I.; Turchi, P. E. A.; Veprek, S.; Leszczynski, Jerzy; Gorb, Leonid; Hill, Frances

2016-01-01

We report first-principles investigations of crystalline and amorphous boron and M1 x M2 y X z B 14−z (M1, M2 = Al, Mg, Li, Na, Y; X = Ti, C, Si) phases (so-called “BAM” materials). Phase stability is analyzed in terms of formation energy and dynamical stability. The atomic configurations as well as the electronic and phonon density states of these phases are compared. Amorphous boron consists of distorted icosahedra, icosahedron fragments, and dioctahedra, connected by an amorphous network. The presence of metal atoms in amorphous BAM materials precludes the formation of icosahedra. For all the amorphous structures considered here, the Fermi level is located in the mobility gap independent of the number of valence electrons. The intra-icosahedral vibrations are localized in the range of 800 cm −1 , whereas the inter-icosahedral vibrations appear at higher wavenumbers. The amorphization leads to an enhancement of the vibrations in the range of 1100–1250 cm −1 . The mechanical properties of BAM materials are investigated at equilibrium and under shear and tensile strain. The anisotropy of the ideal shear and tensile strengths is explained in terms of a layered structure of the B 12 units. The strength of amorphous BAM materials is lower than that of the crystalline counterparts because of the partial fragmentation of the boron icosahedra in amorphous structures. The strength enhancement found experimentally for amorphous boron-based films is very likely related to an increase in film density, and the presence of oxygen impurities. For crystalline BAM materials, the icosahedra are preserved during elongation upon tension as well as upon shear in the (010)[100] slip system.

Phase mapping of iron-based rapidly quenched alloys using precession electron diffraction

International Nuclear Information System (INIS)

Svec, P.; Janotova, I.; Hosko, J.; Matko, I.; Janickovic, D.; Svec, P. Sr.; Kepaptsoglou, D. M.

2013-01-01

The present contribution is focused on application of PED and phase/orientation mapping of nanocrystals of bcc-Fe formed during the first crystallization stage of amorphous Fe-Co-Si-B ribbon. Using precession electron diffraction and phase/orientation mapping the formation of primary crystalline phase, bcc-Fe, from amorphous Fe-Co-Si-B has been analyzed. Important information about mutual orientation of the phase in individual submicron grains as well as against the sample surface has been obtained. This information contributes to the understanding of micromechanisms controlling crystallization from amorphous rapidly quenched structure and of the structure of the original amorphous state. The presented technique due to its high spatial resolution, speed and information content provided complements well classical techniques, especially in nanocrystalline materials. (authors)

Characterization of crystalline structures in Opuntia ficus-indica.

Science.gov (United States)

Contreras-Padilla, Margarita; Rivera-Muñoz, Eric M; Gutiérrez-Cortez, Elsa; del López, Alicia Real; Rodríguez-García, Mario Enrique

2015-01-01

This research studies the crystalline compounds present in nopal (Opuntia ficus-indica) cladodes. The identification of the crystalline structures was performed using X-ray diffraction, scanning electron microscopy, mass spectrometry, and Fourier transform infrared spectroscopy. The crystalline structures identified were calcium carbonate (calcite) [CaCO3], calcium-magnesium bicarbonate [CaMg(CO3)2], magnesium oxide [MgO], calcium oxalate monohydrate [Ca(C2O4)•(H2O)], potassium peroxydiphosphate [K4P2O8] and potassium chloride [KCl]. The SEM images indicate that calcite crystals grow to dipyramidal, octahedral-like, prismatic, and flower-like structures; meanwhile, calcium-magnesium bicarbonate structures show rhombohedral exfoliation and calcium oxalate monohydrate is present in a drusenoid morphology. These calcium carbonate compounds have a great importance for humans because their bioavailability. This is the first report about the identification and structural analysis of calcium carbonate and calcium-magnesium bicarbonate in nopal cladodes, as well as the presence of magnesium oxide, potassium peroxydiphosphate and potassium chloride in these plants. The significance of the study of the inorganic components of these cactus plants is related with the increasing interest in the potential use of Opuntia as a raw material of products for the food, pharmaceutical, and cosmetic industries.

Calcium carbonate interaction analysis in polypropylene compounds and their impact on the formation of beta crystalline phase of this polymer

International Nuclear Information System (INIS)

Sakahara, Rogerio M.; Hui, Wang S.

2011-01-01

The insertion of calcium carbonate (CaCO 3 ) in polypropylene compound is a thoroughly known technique widely studied in the academic area and in the industry. Its wide application is due, mainly, to increase mechanical properties with low manufacturing cost. These improvements in this polymer make it more versatile and competitive compared to other expensive polymers. In this study, the incorporation of four types of CaCO3 from the same manufacturer were compared and the focus was on the size of this mineral filler. Furthermore, it was analyzed the interaction of graphitized polypropylene with maleic anhydride (PP-g-MA) in the same samples. All these samples were analyzed by WAXS and SEM. The physical properties of tensile strength and impact were also analyzed. It was observed from this study that the smallest CaCO3 produced with PP-g-MA resulted in better physical properties with the formation of a crystalline phase beta, as originally studied by other authors using other raw materials. (author)

New lipid family that forms inverted cubic phases in equilibrium with excess water: molecular structure-aqueous phase structure relationship for lipids with 5,9,13,17-tetramethyloctadecyl and 5,9,13,17-tetramethyloctadecanoyl chains.

Science.gov (United States)

Yamashita, Jun; Shiono, Manzo; Hato, Masakatsu

2008-10-02

With a view to discovering a new family of lipids that form inverted cubic phases, the aqueous phase behavior of a series of lipids with isoprenoid-type hydrophobic chains has been examined over a temperature range from -40 to 65 degrees C by using optical microscopy, DSC (differential scanning calorimetry), and SAXS (small-angle X-ray scattering) techniques. The lipids examined are those with 5,9,13,17-tetramethyloctadecyl and 5,9,13,17-tetramethyloctadecanoyl chains linked to a series of headgroups, that is, erythritol, pentaerythritol, xylose, and glucose. All of the lipid/water systems displayed a "water + liquid crystalline phase" two-phase coexistence state when sufficiently diluted. The aqueous phase structures of the most diluted liquid crystalline phases in equilibrium with excess water depend both on the lipid molecular structure and on the temperature. Given an isoprenoid chain, the preferred phase consistently follows a phase sequence of an H II (an inverted hexagonal phase) to a Q II (an inverted bicontinuous cubic phase) to an L alpha (a lamellar phase) as A* (cross-section area of the headgroup) increases. For a given lipid/water system, the phase sequence observed as the temperature increases is L alpha to Q II to H II. The present study allowed us to find four cubic phase-forming lipid species, PEOC 18+4 [mono- O-(5,9,13,17-tetramethyloctadecyl)pentaerythritol], beta-XylOC 18+4 [1- O-(5,9,13,17-tetramethyloctadecyl)-beta- d-xylopyranoside], EROCOC 17+4 [1- O-(5,9,13,17-tetramethyloctadecanoyl)erythritol], and PEOCOC 17+4 [mono- O-(5,9,13,17-tetramethyloctadecanoyl)pentaerythritol]. The values of T K (hydrated solid-liquid crystalline phase transition temperature) of the cubic phase-forming lipids are all below 0 degrees C. Quantitative analyses of the lipid molecular structure-aqueous phase structure relationship in terms of the experimentally evaluated "surfactant parameter" allow us to rationally select an optimum combination of hydrophilic

Spatial distribution of crystalline corrosion products formed during corrosion of stainless steel in concrete

Energy Technology Data Exchange (ETDEWEB)

Serdar, Marijana [Department of Materials, Faculty of Civil Engineering, University of Zagreb, 10000 Zagreb (Croatia); Meral, Cagla [Middle East Technical University, Department of Civil Engineering, Ankara (Turkey); Kunz, Martin [Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720 (United States); Bjegovic, Dubravka [Department of Materials, Faculty of Civil Engineering, University of Zagreb, 10000 Zagreb (Croatia); Wenk, Hans-Rudolf [Department of Earth and Planetary Science, University of California, Berkeley, CA 94720 (United States); Monteiro, Paulo J.M., E-mail: monteiro@ce.berkeley.edu [Department of Civil and Environmental Engineering, University of California, Berkeley, CA 94720 (United States)

2015-05-15

The mineralogy and spatial distribution of nano-crystalline corrosion products that form in the steel/concrete interface were characterized using synchrotron X-ray micro-diffraction (μ-XRD). Two types of low-nickel high-chromium reinforcing steels embedded into mortar and exposed to NaCl solution were investigated. Corrosion in the samples was confirmed by electrochemical impedance spectroscopy (EIS). μ-XRD revealed that goethite (α-FeOOH) and akaganeite (β-FeOOH) are the main iron oxide–hydroxides formed during the chloride-induced corrosion of stainless steel in concrete. Goethite is formed closer to the surface of the steel due to the presence of chromium in the steel, while akaganeite is formed further away from the surface due to the presence of chloride ions. Detailed microstructural analysis is shown and discussed on one sample of each type of steel. - Highlights: • Synchrotron micro-diffraction used to map the distribution of crystalline phases. • Goethite and akaganeite are the main corrosion products during chloride induced corrosion in mortar. • Layers of goethite and akaganeite are negatively correlated. • EDS showed Cr present in corrosion products identified by SEM.

Spatial distribution of crystalline corrosion products formed during corrosion of stainless steel in concrete

International Nuclear Information System (INIS)

Serdar, Marijana; Meral, Cagla; Kunz, Martin; Bjegovic, Dubravka; Wenk, Hans-Rudolf; Monteiro, Paulo J.M.

2015-01-01

The mineralogy and spatial distribution of nano-crystalline corrosion products that form in the steel/concrete interface were characterized using synchrotron X-ray micro-diffraction (μ-XRD). Two types of low-nickel high-chromium reinforcing steels embedded into mortar and exposed to NaCl solution were investigated. Corrosion in the samples was confirmed by electrochemical impedance spectroscopy (EIS). μ-XRD revealed that goethite (α-FeOOH) and akaganeite (β-FeOOH) are the main iron oxide–hydroxides formed during the chloride-induced corrosion of stainless steel in concrete. Goethite is formed closer to the surface of the steel due to the presence of chromium in the steel, while akaganeite is formed further away from the surface due to the presence of chloride ions. Detailed microstructural analysis is shown and discussed on one sample of each type of steel. - Highlights: • Synchrotron micro-diffraction used to map the distribution of crystalline phases. • Goethite and akaganeite are the main corrosion products during chloride induced corrosion in mortar. • Layers of goethite and akaganeite are negatively correlated. • EDS showed Cr present in corrosion products identified by SEM

Crystalline Symmetry-Protected Majorana Mode in Number-Conserving Dirac Semimetal Nanowires

Science.gov (United States)

Zhang, Rui-Xing; Liu, Chao-Xing

2018-04-01

One of the cornerstones for topological quantum computations is the Majorana zero mode, which has been intensively searched in fractional quantum Hall systems and topological superconductors. Several recent works suggest that such an exotic mode can also exist in a one-dimensional (1D) interacting double-wire setup even without long-range superconductivity. A notable instability in these proposals comes from interchannel single-particle tunneling that spoils the topological ground state degeneracy. Here we show that a 1D Dirac semimetal (DSM) nanowire is an ideal number-conserving platform to realize such Majorana physics. By inserting magnetic flux, a DSM nanowire is driven into a 1D crystalline-symmetry-protected semimetallic phase. Interaction enables the emergence of boundary Majorana zero modes, which is robust as a result of crystalline symmetry protection. We also explore several experimental consequences of Majorana signals.

Atomic structure and electronic properties of the SixSb100-x phase-change memory material

DEFF Research Database (Denmark)

Verma, Ashok K.; Modak, Paritosh; Svane, Axel

2011-01-01

The electronic and structural properties of SixSb100-x (x∼16) materials are investigated using first-principles molecular dynamics simulations. Crystalline-liquid-amorphous phase transitions are examined and remarkable changes in the local structure around the Si atoms are found. The average Si...... coordination number 6 (3 long + 3 short Si-Sb bonds) of the crystalline phase changes to 4 (3 long Si-Sb + 1 short Si-Si bonds) by preserving three Si-Sb bonds in both the liquid and the amorphous phases. In the amorphous phase ∼90% of the Si atoms are fourfold coordinated compared to 40% in the liquid....... The electronic density of states is metal-like in both the crystalline and the liquid phases, but it exhibits a pseudogap at the Fermi level in the amorphous phase, reflecting the strong abundance of fourfold coordinated Si in the amorphous phase....

Epitaxial growth of Ge-Sb-Te based phase change materials

International Nuclear Information System (INIS)

Perumal, Karthick

2013-01-01

Ge-Sb-Te based phase change materials are considered as a prime candidate for optical and electrical data storage applications. With the application of an optical or electrical pulse, they can be reversibly switched between amorphous and crystalline state, thereby exhibiting large optical and electrical contrast between the two phases, which are then stored as information in the form of binary digits. Single crystalline growth is interesting from both the academic and industrial perspective, as ordered Ge-Sb-Te based metamaterials are known to exhibit switching at reduced energies. The present study deals with the epitaxial growth and analysis of Ge-Sb-Te based thin films. The first part of the thesis deals with the epitaxial growth of GeTe. Thin films of GeTe were grown on highly mismatched Si(111) and (001) substrates. On both the substrate orientations the film grows along [111] direction with an amorphous-to-crystalline transition observed during the initial stages of growth. The amorphous-to-crystalline transition was studied in-vivo using azimuthal reflection high-energy electron diffraction scans and grazing incidence X-ray diffraction. In the second part of the thesis epitaxy and characterization of Sb 2 Te 3 thin films are presented. The third part of the thesis deals with the epitaxy of ternary Ge-Sb-Te alloys. The composition of the films are shown to be highly dependent on growth temperatures and vary along the pseudobinary line from Sb 2 Te 3 to GeTe with increase in growth temperatures. A line-of-sight quadrupole mass spectrometer was used to reliably control the GeSbTe growth temperature. Growth was performed at different Ge, Sb, Te fluxes to study the compositional variation of the films. Incommensurate peaks are observed along the [111] direction by X-ray diffraction. The possibility of superstructural vacancy ordering along the [111] direction is discussed.

The make up of crystalline bedrock - crystalline body and blocks

International Nuclear Information System (INIS)

Huber, M.; Huber, A.

1986-01-01

Statements of a geological nature can be made on the basis of investigations of the bedrock exposed in southern Black Forest and these can, in the form of prognoses, be applied to the crystalline Basement of northern Switzerland. Such statements relate to the average proportions of the main lithological groups at the bedrock surface and the surface area of the granite body. Some of the prognoses can be compared and checked with the results from the deep drilling programme in northern Switzerland. Further, analogical interferences from the situation in the southern Black Forest allow predictions to be made on the anticipated block structure of the crystalline Basement. (author)

Hydration and phase separation of polyethylene glycol in copolymers of tyrosine derived carbonates.

Science.gov (United States)

Sanjeeva Murthy, N.; Wang, Wenjie; Kohn, Joachim

2009-03-01

Effect of PEG fraction and its block size on the temperature-induced phase transitions and the hydration-induced phase separation were investigated in a copolymer of desaminotyrosyl tyrosine ethyl ester (DTE) and PEG using simultaneous SAXS/WAXS/DSC. The PEG segments crystallized when the block size was at least 2000 Daltons and present at ˜ 40 wt%, and raised the Tg of the polymer by ˜ 15 ^oC. The PEG blocks in dry polymers with up to 50 wt% PEG, even when crystalline, were found to be uniformly distributed with no evidence of phase separation at 10 nm length scales. The non-iodinated PEG-rich sample with 30 mole% PEG2k showed the lower critical solution temperature (LCST) behavior with PEG blocks forming a separate phase above -21 ^oC. In the iodinated version of this polymer, the PEG2k blocks were phase separated in the solid phase. In all samples, whether PEG was crystalline or not, hydration induced PEG to separate into 15 nm hydrated domains. Phase behavior was dependent on whether poly(DTE) or the PEG was the major (matrix) phase. Changes in the mobility of the chains brought about by water-mediated hydrogen-bonding, and modulated by heat, appear to be the common underlying explanation for the range of observed phase behavior.

Pengaruh Kecepatan Pendinginan Terhadap Perubahan Volume Leburan Polymer Crystalline dan Non-Crystalline

OpenAIRE

Fahrurrozi, Mohammad; Moristanto, Bagus Senowulung dan

2003-01-01

AbstractThe study was directed to develop a method to predict the influence of the rate of cooling to the degree of crystallittitv (DOC) and volume change of crystalline polymers. Crystalline polymer melts exhibit volume shrinkage on cooling below melting point due to crystallization. Crystallization and volunrc shrinkage will proceed with varies rate as long as the temperature is above the glass tansition temperatrre. DOC achieved by polymer is not only determined by the inherent crystallini...

Interim rock mass properties and conditions for analyses of a repository in crystalline rock

International Nuclear Information System (INIS)

Tammemagi, H.Y.; Chieslar, J.D.

1985-03-01

A summary of rock properties for generic crystalline rock is compiled from literature sources to provide the input data for analyses of a conceptual repository in crystalline rock. Frequency histograms, mean values and ranges of physical, mechanical, thermal, and thermomechanical properties, and the dependence of these properties on temperature are described. A description of the hydrogeologic properties of a crystalline rock mass and their dependence on depth is provided. In addition, the temperature gradients, mean annual surface temperature, and in situ stress conditions are summarized for the three regions of the United States currently under consideration to host a crystalline repository; i.e., the North Central, Northeastern, and Southeastern. Brief descriptions of the regional geology are also presented. Large-scale underground experiments in crystalline rock at Stripa, Sweden, and in Climax Stock in Nevada, are reviewed to assess whether the rock properties presented in this report are representative of in situ conditions. The suitability of each rock property and the sufficiency of its data base are described. 110 refs., 27 figs., 4 tabs

Anomalous electrical conduction in disordered and non-crystalline metallic conductors

International Nuclear Information System (INIS)

Tsuei, C.C.

1978-01-01

Many disordered and non-crystalline metallic conductors are characterized by both a negative temperature coefficient (α = rho -1 drho/dT) of resistivity rho over a wide range of temperatures T and a gradual leveling-off of rho at low temperatures. Experimental results will be presented to show that rho varies as -ln T (for T >approximately the Debye temperature) in contrast to the predication of existing theories. This anomalous electron transport can be understood in terms of an attractive interaction between conduction electrons and localized excitations arising from a structural indeterminacy in the atomic arrangement. The possibility of using this scattering mechanism to explain the unusual deviation from linear T dependence of resistivity (the bulge effect) in many structurally unstable superconductors such as A-15 Nb 3 Ge, V 3 Si, bcc Nb and alloys containing the ω-phase is also discussed. (author)

Synthesis and Characterization of Ferroelectric Liquid Crystalline Organosiloxanes Containing 4-(4-undecanyloxy bi-phenyl-1-carboxyloxyphenyl (2S,3S-2-chloro-3-methylvalerate and 4-(4-undecanyloxybenzoyloxybiphenyl (2S,3S-2-chloro-3-methylvalerate

Directory of Open Access Journals (Sweden)

Chih-Hung Lin

2013-10-01

Full Text Available A series of new organosiloxane ferroelectric liquid crystalline (FLC materials have been synthesized, and their mesomorphic and physical properties have been characterized. Four new disiloxanes and trisiloxanes, containing biphenyl 4-hydroxybenzoate and phenyl 4-hydroxybiphenylcarboxylate as mesogenic units and eleven methylene unit as spacers and (2S,3S-2-chloro-3-methylvalerate unit as chiral end groups. The molecule, using three phenyl ring as a mesogenic unit, formulates much wider liquid crystalline phase temperature ranges than that of a two phenyl ring unit. The phenyl arrangement differences of mesogenic unit result in the greater differences of the liquid crystal phase formation. The siloxane molecule induction is helpful to the more regular smectic phase formation and smectic phase stabilization, such as chiral SC (SC* and SB phases. The siloxane molecule is helpful to reduce the phase transition temperature and broaden the liquid crystal temperature range of the SC* phase and, simultaneously, it will not induce chain crystallization phenomenon and dilute the Ps value. The synthesis and characterization of the new FLCs materials, which exhibit a room temperature SC* phase and higher spontaneous polarization are presented.

Properties and Applications of the β Phase Poly(vinylidene fluoride

Directory of Open Access Journals (Sweden)

Liuxia Ruan

2018-02-01

Full Text Available Poly(vinylidene fluoride, PVDF, as one of important polymeric materials with extensively scientific interests and technological applications, shows five crystalline polymorphs with α, β, γ, δ and ε phases obtained by different processing methods. Among them, β phase PVDF presents outstanding electrical characteristics including piezo-, pyro-and ferroelectric properties. These electroactive properties are increasingly important in applications such as energy storage, spin valve devices, biomedicine, sensors and smart scaffolds. This article discusses the basic knowledge and character methods for PVDF fabrication and provides an overview of recent advances on the phase modification and recent applications of the β phase PVDF are reported. This study may provide an insight for the development and utilization for β phase PVDF nanofilms in future electronics.

The alpha and gamma crystallin content in aqueous humor of eyes with clear lenses and with cataracts

International Nuclear Information System (INIS)

Sandberg, H.O.; Closs, O.

1979-01-01

Specific radioimmunoassays were used to measure the concentration of α- and γ-crystallins in human aqueous humor. It was demonstrated that these crystallins are normally present in aqueous humor from healthy eyes. The crystallin concentration did not seem to increase with age. The normal upper limit for the α-crystallin concentration was found to be 10 ng/ml and for the γ-crystallin concentration 60 ng/ml. In the aqueous humor of eyes with cortical cataract the concentration of both crystallins was increased. With nuclear cataracts the α-crystallin concentration was increased while the γ-crystallin concentration was decreased. Experiments in rabbits showed that the crystallins in the aqueous humor left the anterior chamber at the same rate as the aqueous bulk flow. The demonstration of lens crystallins in the aqueous humor is compatible with the hypothesis that they leak from the lens. (author)

Electrochromism in surface modified crystalline WO3 thin films grown by reactive DC magnetron sputtering

Science.gov (United States)

Karuppasamy, A.

2013-10-01

In the present work, tungsten oxide thin films were deposited at various oxygen chamber pressures (1.0-5.0 × 10-3 mbar) by maintaining the sputtering power density and argon pressure constant at 3.0 W/cm2 and 1.2 × 10-2 mbar, respectively. The role of surface morphology and porosity on the electrochromic properties of crystalline tungsten oxide thin films has been investigated. XRD and Raman studies reveal that all the samples post annealed at 450 ̊C in air for 3.0 h settle in monoclinic crystal system of tungsten oxide (W18O49). Though the phase of material is indifferent to oxygen pressure variations (PO2), morphology and film density shows a striking dependence on PO2. A systematic study on plasma (OES), morphology, optical and electrochromic properties of crystalline tungsten oxide reveal that the films deposited at PO2 of 2.0 × 10-3 mbar exhibit better coloration efficiency (58 cm2/C), electron/ion capacity (Qc: -25 mC/cm2), and reversibility (92%). This is attributed to the enhanced surface properties like high density of pores and fine particulates (100 nm) and to lesser bulk density of the film (ρ/ρo = 0.84) which facilitates the process of intercalation/de-intercalation of protons and electrons. These results show good promise toward stable and efficient crystalline tungsten oxide based electrochromic device applications.

First-principles study of the amorphous In3SbTe2 phase change compound

Science.gov (United States)

Los, Jan H.; Kühne, Thomas D.; Gabardi, Silvia; Bernasconi, Marco

2013-11-01

Ab initio molecular dynamics simulations based on density functional theory were performed to generate amorphous models of the phase change compound In3SbTe2 by quenching from the melt. In-Sb and In-Te are the most abundant bonds with only a minor fraction of Sb-Te bonds. The bonding geometry in the amorphous phase is, however, strongly dependent on the density in the range 6.448-5.75 g/cm3 that we investigated. While at high density the bonding geometry of In atoms is mostly octahedral-like as in the cubic crystalline phase of the ternary compound In3SbTe2, at low density we observed a sizable fraction of tetrahedral-like geometries similar to those present in the crystalline phase of the two binary compounds InTe and InSb that the ternary system can be thought to be made of. We show that the different ratio between octahedral-like and tetrahedral-like bonding geometries has fingerprints in the optical and vibrational spectra.

Reaction Front Evolution during Electrochemical Lithiation of Crystalline Silicon Nanopillars

KAUST Repository

Lee, Seok Woo

2012-12-01

The high theoretical specific capacity of Si as an anode material is attractive in lithium-ion batteries, although the issues caused by large volume changes during cycling have been a major challenge. Efforts have been devoted to understanding how diffusion-induced stresses cause fracture, but recent observations of anisotropic volume expansion in single-crystalline Si nanostructures require new theoretical considerations of expansion behavior during lithiation. Further experimental investigation is also necessary to better understand the anisotropy of the lithiation process. Here, we present a method to reveal the crystalline core of partially lithiated Si nanopillars with three different crystallographic orientations by using methanol to dissolve the Li atoms from the amorphous Li-Si alloy. The exposed crystalline cores have flat {110} surfaces at the pillar sidewalls; these surfaces represent the position of the reaction front between the crystalline core and the amorphous Li-Si alloy. It was also found that an amorphous Si structure remained on the flat surfaces of the crystalline core after dissolution of the Li, which was presumed to be caused by the accumulation of Si atoms left over from the removal of Li from the Li-Si alloy. © 2012 Wiley-VCH Verlag GmbH &Co. KGaA, Weinheim.

Reaction Front Evolution during Electrochemical Lithiation of Crystalline Silicon Nanopillars

KAUST Repository

Lee, Seok Woo; Berla, Lucas A.; McDowell, Matthew T.; Nix, William D.; Cui, Yi

2012-01-01

The high theoretical specific capacity of Si as an anode material is attractive in lithium-ion batteries, although the issues caused by large volume changes during cycling have been a major challenge. Efforts have been devoted to understanding how diffusion-induced stresses cause fracture, but recent observations of anisotropic volume expansion in single-crystalline Si nanostructures require new theoretical considerations of expansion behavior during lithiation. Further experimental investigation is also necessary to better understand the anisotropy of the lithiation process. Here, we present a method to reveal the crystalline core of partially lithiated Si nanopillars with three different crystallographic orientations by using methanol to dissolve the Li atoms from the amorphous Li-Si alloy. The exposed crystalline cores have flat {110} surfaces at the pillar sidewalls; these surfaces represent the position of the reaction front between the crystalline core and the amorphous Li-Si alloy. It was also found that an amorphous Si structure remained on the flat surfaces of the crystalline core after dissolution of the Li, which was presumed to be caused by the accumulation of Si atoms left over from the removal of Li from the Li-Si alloy. © 2012 Wiley-VCH Verlag GmbH &Co. KGaA, Weinheim.

Shape-memory effect of nanocomposites based on liquid-crystalline elastomers

Science.gov (United States)

Marotta, A.; Lama, G. C.; Gentile, G.; Cerruti, P.; Carfagna, C.; Ambrogi, V.

2016-05-01

In this work, nanocomposites based on liquid crystalline (LC) elastomers were prepared and characterized in their shape memory properties. For the synthesis of materials, p-bis(2,3-epoxypropoxy)-α-methylstilbene (DOMS) was used as mesogenic epoxy monomer, sebacic acid (SA) as curing agent and multi-walled carbon nanotubes (MWCNT) and graphene oxide (GO) as fillers. First, an effective compatibilization methodology was set up to improve the interfacial adhesion between the matrix and the carbonaceous nanofillers, thus obtaining homogeneous distribution and dispersion of the nanofillers within the polymer phase. Then, the obtained nanocomposite films were characterized in their morphological and thermal properties. In particular, the effect of the addition of the nanofillers on liquid crystalline behavior, as well as on shape-memory properties of the realized materials was investigated. It was found that both fillers were able to enhance the thermomechanical response of the LC elastomers, making them good candidates as shape memory materials.

Neutrino emissivity in the quark-hadron mixed phase of neutron stars

Energy Technology Data Exchange (ETDEWEB)

Spinella, William M. [Computational Science Research Center San Diego State University, San Diego, CA (United States); San Diego State University, Department of Physics, San Diego, CA (United States); Weber, Fridolin [San Diego State University, Department of Physics, San Diego, CA (United States); University of California San Diego, Center for Astrophysics and Space Sciences, La Jolla, CA (United States); Contrera, Gustavo A. [CONICET, Buenos Aires (Argentina); CONICET - Dept. de Fisica, UNLP, IFLP, La Plata (Argentina); Universidad Nacional de La Plata, Grupo de Gravitacion, Astrofisica y Cosmologia, Facultad de Ciencias Astronomicas y Geofisicas, La Plata (Argentina); Orsaria, Milva G. [CONICET, Buenos Aires (Argentina); Universidad Nacional de La Plata, Grupo de Gravitacion, Astrofisica y Cosmologia, Facultad de Ciencias Astronomicas y Geofisicas, La Plata (Argentina)

2016-03-15

Numerous theoretical studies using various equation of state models have shown that quark matter may exist at the extreme densities in the cores of high-mass neutron stars. It has also been shown that a phase transition from hadronic matter to quark matter would result in an extended mixed phase region that would segregate phases by net charge to minimize the total energy of the phase, leading to the formation of a crystalline lattice. The existence of quark matter in the core of a neutron star may have significant consequences for its thermal evolution, which for thousands of years is facilitated primarily by neutrino emission. In this work we investigate the effect a crystalline quark-hadron mixed phase can have on the neutrino emissivity from the core. To this end we calculate the equation of state using the relativistic mean-field approximation to model hadronic matter and a nonlocal extension of the three-flavor Nambu-Jona-Lasinio model for quark matter. Next we determine the extent of the quark-hadron mixed phase and its crystalline structure using the Glendenning construction, allowing for the formation of spherical blob, rod, and slab rare phase geometries. Finally we calculate the neutrino emissivity due to electron-lattice interactions utilizing the formalism developed for the analogous process in neutron star crusts. We find that the contribution to the neutrino emissivity due to the presence of a crystalline quark-hadron mixed phase is substantial compared to other mechanisms at fairly low temperatures (

Bacterially-mediated weathering of crystalline and amorphous Cu-slags

International Nuclear Information System (INIS)

Potysz, Anna; Grybos, Malgorzata; Kierczak, Jakub; Guibaud, Gilles; Lens, Piet N.L.; Hullebusch, Eric D. van

2016-01-01

Two types of Cu-slags (CS: crystalline massive slag and GS: granulated amorphous slag) exhibiting a different chemical and mineral phase composition were compared with respect to their susceptibility to bacterial weathering using Pseudomonas aeruginosa (n° CIP 105094). Abiotic conditions e.g. sterile growth medium and ultrapure water were used for comparison. The experiments were extended up to 112 days with a systematic liquid phase renewal every 14 days. The results revealed significant release of elements in the bacterially mediated weathering experiments. Concentrations of elements (Si, Fe, Cu, Zn and Pb) in the biotic solutions were increased at least by 20% up to 99% compared to abiotic ones. From 3 to 77% of the leached elements were associated to the fraction >0.22 μm. Scanning electron microscope observations demonstrated greater weathering of mineral phases in biotic experiments than in abiotic ones which is in accordance with the solution chemistry exhibiting higher concentrations of elements leached in biotic set-ups. In the case of CS, glass and sulfides weathering was yet observed in abiotic experiment, whereas partial dissolution of fayalite (Fe_2SiO_4) was solely affected by the presence of bacteria. GS having a higher bulk content of metallic elements was found to be more stable than sulfide-bearing CS, while its (GS) glass matrix was found to weather easier under biotic conditions. - Highlights: • Pseudomonas aeruginosa significantly enhance the release of elements from Cu-slags. • Bacteria and/or associated metabolites assist as biosorbent (e.g. Zn). • Amorphous slag is more susceptible to bio-weathering. • Metal carriers of crystalline slag are prone to dissolution. • Fe-bearing fayalite is altered solely due to the presence of bacteria.

Changing electronic density in sites of crystalline lattice under superconducting of phase transition

International Nuclear Information System (INIS)

Turaev, N.Yu.; Turaev, E.Yu.; Khuzhakulov, E.S.; Seregin, P.P.

2006-01-01

Results of electron density change calculations for sites of the one-dimensional Kronig-Penny lattice at the superconducting phase transition have been presented. The transition from normal state to super conducting one is accompanied by the rise of the electron density at the unit cell centre. It is agreement with Moessbauer spectroscopy data. (author)

A study on effective thermal conductivity of crystalline layers in layer melt crystallization

International Nuclear Information System (INIS)

Kim, Kwang-Joo; Ulrich, Joachim

2002-01-01

An effective thermal conductivity in layer melt crystallization was explored based on a model considering inclusions inside a crystalline layer during crystal growth, molecular diffusion of inclusions migration due to temperature gradient and heat generation due to recrystallization of inclusions in the crystalline layer. The effective thermal conductivity increases with time, in general, as a result of compactness of the layer. Lower cooling temperature, i.e. greater supercooling, results in a more porous layer with lower effective thermal conductivity. A similar result is seen for the parameter of melt temperature, but less pronounced. A high concentration of the melt results in a high effective thermal conductivity while low concentration yields low effective thermal conductivity. At higher impurity levels in the melt phase, constitutional supercooling becomes more pronounced and unstable growth morphologies occur more easily. Cooling rate and Reynolds number also affect the effective thermal conductivity. The predictions of an effective thermal conductivity agree with the experimental data. The model was applied to estimate the thermal conductivities of the crystalline layer during layer melt crystallization. (author)

Non-von Neumann computing using plasmon particles interacting with phase change materials (Conference Presentation)

Science.gov (United States)

Saiki, Toshiharu

2016-09-01

Control of localized surface plasmon resonance (LSPR) excited on metal nanostructures has drawn attention for applications in dynamic switching of plasmonic devices. As a reversible active media for LSPR control, chalcogenide phase-change materials (PCMs) such as GeSbTe (GST) are promising for high-contrast robust plasmonic switching. Owing to the plasticity and the threshold behavior during both amorphization and crystallization of PCMs, PCM-based LSPR switching elements possess a dual functionality of memory and processing. Integration of LSPR switching elements so that they interact with each other will allow us to build non-von-Neumann computing devices. As a specific demonstration, we discuss the implementation of a cellular automata (CA) algorithm into interacting LSPR switching elements. In the model we propose, PCM cells, which can be in one of two states (amorphous and crystalline), interact with each other by being linked by a AuNR, whose LSPR peak wavelength is determined by the phase of PCM cells on the both sides. The CA program proceeds by irradiating with a light pulse train. The local rule set is defined by the temperature rise in the PCM cells induced by the LSPR of the AuNR, which is subject to the intensity and wavelength of the irradiating pulse. We also investigate the possibility of solving a problem analogous to the spin-glass problem by using a coupled dipole system, in which the individual coupling strengths can be modified to optimize the system so that the exact solution can be easily reached. For this algorithm, we propose an implementation based on an idea that coupled plasmon particles can create long-range spatial correlations, and the interaction of this with a phase-change material allows the coupling strength to be modified.

Roll-to-Roll printed large-area all-polymer solar cells with 5% efficiency based on a low crystallinity conjugated polymer blend

Science.gov (United States)

Gu, Xiaodan; Zhou, Yan; Gu, Kevin; Kurosawa, Tadanori; Yan, Hongping; Wang, Cheng; Toney, Micheal; Bao, Zhenan

The challenge of continuous printing in high efficiency large-area organic solar cells is a key limiting factor for their widespread adoption. We present a materials design concept for achieving large-area, solution coated all-polymer bulk heterojunction (BHJ) solar cells with stable phase separation morphology between the donor and acceptor. The key concept lies in inhibiting strong crystallization of donor and acceptor polymers, thus forming intermixed, low crystallinity and mostly amorphous blends. Based on experiments using donors and acceptors with different degree of crystallinity, our results showed that microphase separated donor and acceptor domain sizes are inversely proportional to the crystallinity of the conjugated polymers. This methodology of using low crystallinity donors and acceptors has the added benefit of forming a consistent and robust morphology that is insensitive to different processing conditions, allowing one to easily scale up the printing process from a small scale solution shearing coater to a large-scale continuous roll-to-roll (R2R) printer. We were able to continuously roll-to-roll slot die print large area all-polymer solar cells with power conversion efficiencies of 5%, with combined cell area up to 10 cm2. This is among the highest efficiencies realized with R2R coated active layer organic materials on flexible substrate. DOE BRIDGE sunshot program. Office of Naval Research.

Direct dynamic synthesis of nanodispersed phases of titanium oxides upon sputtering of electrodischarge titanium plasma into an air atmosphere

Science.gov (United States)

Sivkov, A. A.; Gerasimov, D. Yu.; Nikitin, D. S.

2017-01-01

Experimental investigations of the possibility of directly synthesizing nanodispersed crystalline phases of titanium dioxides with rutile and anatase structures in a hypervelocity jet of electroerosion plasma generated by a coaxial magnetoplasma accelerator with titanium electrodes are presented. A powder product containing nanosized polymorphic phases of titanium dioxide with a spherical shape of particles has been manufactured.

Crystalline Repository Project. Technical progress report, October 1982-March 1983

International Nuclear Information System (INIS)

1985-01-01

This document reports the progress being made periodically on the development of a geologic repository in crystalline rock for the permanent disposal of high-level nuclear waste. The reporting elements are arranged by the work breakdown structure so that related studies are presented together. The studies are reported by the Office of Crystalline Respository Development (OCRD), a prime contractor of the US Department of Energy Repository Project Office. The studies include work by other prime contractors and by subcontractors to OCRD

Size Tunable Synthesis of Highly Crystalline BaTiO3 Nanoparticles using Salt-Assisted Spray Pyrolysis

International Nuclear Information System (INIS)

Itoh, Yoshifumi; Lenggoro, I. Wuled; Okuyama, Kikuo; Maedler, Lutz; Pratsinis, Sotiris E.

2003-01-01

Highly crystalline, dense BaTiO 3 nanoparticles in a size range from 30 to 360nm with a narrow size distribution (σ g = 1.2-1.4) were prepared at various synthesis temperatures using a salt-assisted spray pyrolysis (SASP) method without the need for post-annealing. The effect of synthesis temperature on particle size, crystallinity and surface morphology of the nanoparticles were characterized by X-ray diffraction and scanning/transmission electron microscopy. The nature of the crystalline structure was analyzed by Rietveld refinement and Raman spectroscopy. The particle size decreased with decreasing operation temperature. The crystal phase was transformed from tetragonal to cubic at a particles size of about 50nm at room temperature. SASP can be used to produce high weight fraction of tetragonal BaTiO 3 nanoparticles down to 64nm in a single step

Development and evaluation of exemestane-loaded lyotropic liquid crystalline gel formulations

OpenAIRE

Musa, Muhammad Nuh; David, Sheba Rani; Zulkipli, Ihsan Nazurah; Mahadi, Abdul Hanif; Chakravarthi, Srikumar; Rajabalaya, Rajan

2017-01-01

Introduction: The use of liquid crystalline (LC) gel formulations for drug delivery has considerably improved the current delivery methods in terms of bioavailability and efficacy. The purpose of this study was to develop and evaluate LC gel formulations to deliver the anti-cancer drug exemestane through transdermal route. Methods: Two LC gel formulations were prepared by phase separation coacervation method using glyceryl monooleate (GMO), Tween 80 and Pluronic® F127 (F127). The formulations...

Crystallinity of Electrospun and Centrifugal Spun Polycaprolactone Fibers: A Comparative Study

Directory of Open Access Journals (Sweden)

Eva Kuzelova Kostakova

2017-01-01

Full Text Available Crystalline properties of semicrystalline polymers are very important parameters that can influence the application area. The internal structure, like the mentioned crystalline properties, of polymers can be influenced by the production technology itself and by changing technology parameters. The present work is devoted to testing of electrospun and centrifugal spun fibrous and nanofibrous materials and compare them to foils and granules made from the same raw polymer. The test setup reveals the structural differences caused by the production technology. Effects of average molecular weight are also exhibited. The applied biodegradable and biocompatible polymer is polycaprolactone (PCL as it is a widespread material for medical purposes. The crystallinity of PCL has significant effect on rate of degradation that is an important parameter for a biodegradable material and determines the applicability. The results of differential scanning calorimetry (DSC showed that, at the degree of crystallinity, there is a minor difference between the electrospun and centrifugal spun fibrous materials. However, the significant influence of polymer molecular weight was exhibited. The morphology of the fibrous materials, represented by fiber diameter, also did not demonstrate any connection to final measured crystallinity degree of the tested materials.

Microstructure and magnetic behavior of Mn doped GeTe chalcogenide semiconductors based phase change materials

Science.gov (United States)

Adam, Adam Abdalla Elbashir; Cheng, Xiaomin; Abuelhassan, Hassan H.; Miao, Xiang Shui

2017-06-01

Phase-change materials (PCMs) are the most promising candidates to be used as an active media in the universal data storage and spintronic devices, due to their large differences in physical properties of the amorphous-crystalline phase transition behavior. In the present study, the microstructure, magnetic and electrical behaviors of Ge0.94Mn0.06Te thin film were investigated. The crystallographic structure of Ge0.94Mn0.06Te thin film was studied sing X-ray diffractometer (XRD) and High Resolution Transmission Electron Microscope (HR-TEM). The XRD pattern showed that the crystallization structure of the film was rhombohedral phase for GeTe with a preference (202) orientation. The HR-TEM image of the crystalline Ge0.94Mn0.06Te thin film demonstrated that, there were two large crystallites and small amorphous areas. The magnetization as a function of the magnetic field analyses of both amorphous and crystalline states showed the ferromagnetic hysteretic behaviors. Then, the hole carriers concentration of the film was measured and it found to be greater than 1021 cm-3 at room temperature. Moreover, the anomalous of Hall Effect (AHE) was clearly observed for the measuring temperatures 5, 10 and 50 K. The results demonstrated that the magnitude of AHE decreased when the temperature was increasing.

How ionic species structure influences phase structure and transitions from protic ionic liquids to liquid crystals to crystals.

Science.gov (United States)

Greaves, Tamar L; Broomhall, Hayden; Weerawardena, Asoka; Osborne, Dale A; Canonge, Bastien A; Drummond, Calum J

2017-12-14

The phase behaviour of n-alkylammonium (C6 to C16) nitrates and formates has been characterised using synchrotron small angle and wide angle X-ray scattering (SAXS/WAXS), differential scanning calorimetry (DSC), cross polarised optical microscopy (CPOM) and Fourier transform infrared spectroscopy (FTIR). The protic salts may exist as crystalline, liquid crystalline or ionic liquid materials depending on the alkyl chain length and temperature. n-Alkylammonium nitrates with n ≥ 6 form thermotropic liquid crystalline (LC) lamellar phases, whereas n ≥ 8 was required for the formate series to form this LC phase. The protic ionic liquid phase showed an intermediate length scale nanostructure resulting from the segregation of the polar and nonpolar components of the ionic liquid. This segregation was enhanced for longer n-alkyl chains, with a corresponding increase in the correlation length scale. The crystalline and liquid crystalline phases were both lamellar. Phase transition temperatures, lamellar d-spacings, and liquid correlation lengths for the n-alkylammonium nitrates and formates were compared with those for n-alkylammonium chlorides and n-alkylamines. Plateau regions in the liquid crystalline to liquid phase transition temperatures as a function of n for the n-alkylammonium nitrates and formates are consistent with hydrogen-bonding and cation-anion interactions between the ionic species dominating alkyl chain-chain van der Waals interactions, with the exception of the mid chained hexyl- and heptylammonium formates. The d-spacings of the lamellar phases for both the n-alkylammonium nitrates and formates were consistent with an increase in chain-chain layer interdigitation within the bilayer-based lamellae with increasing alkyl chain length, and they were comparable to the n-alkylammonium chlorides.

Liquid Crystalline Thermosets from Ester, Ester-imide, and Ester-amide Oligomers

Science.gov (United States)

Dingemans, Theodorus J. (Inventor); Weiser, Erik S. (Inventor); St. Clair, Terry L. (Inventor)

2009-01-01

Main chain thermotropic liquid crystal esters, ester-imides, and ester-amides were prepared from AA, BB, and AB type monomeric materials and end-capped with phenylacetylene, phenylmaleimide, or nadimide reactive end-groups. The end-capped liquid crystal oligomers are thermotropic and have, preferably, molecular weights in the range of approximately 1000-15,000 grams per mole. The end-capped liquid crystaloligomers have broad liquid crystalline melting ranges and exhibit high melt stability and very low melt viscosities at accessible temperatures. The end-capped liquid crystal oli-gomers are stable forup to an hour in the melt phase. They are highly processable by a variety of melt process shape forming and blending techniques. Once processed and shaped, the end-capped liquid crystal oigomers were heated to further polymerize and form liquid crystalline thermosets (LCT). The fully cured products are rubbers above their glass transition temperatures.

Office of Crystalline Repository Development FY 83 technical project plan

International Nuclear Information System (INIS)

1983-03-01

The technical plan for FY 83 activities of the Office of Crystalline Repository Development is presented in detail. Crystalline Rock Project objectives are discussed in relation to the National Waste Terminal storage (NWTS) program. The plan is in full compliance with requirements mandated by the Nuclear Waste Policy Act of 1982. Implementation will comply with the requirements and criteria set forth in the Nuclear Regulatory Commission regulations (10 CFR 60) and the Environmental Protection Agency standard (40 CFR 191). Technical approaches and the related milestones and schedules are presented for each of the Level 3 NWTS work Breakdown Structure Tasks. These are: Systems, Waste Package, Site, Repository, Regulatory and Institutional, Test Facilities and Excavations, Land Acquisition, and Program Management

First-principles study of crystalline and amorphous AlMgB{sub 14}-based materials

Energy Technology Data Exchange (ETDEWEB)

Ivashchenko, V. I.; Shevchenko, V. I., E-mail: shev@materials.kiev.ua [Institute of Problems of Material Science, National Academy of Science of Ukraine, Krzhyzhanosky Str. 3, 03142 Kyiv (Ukraine); Turchi, P. E. A. [Lawrence Livermore National Laboratory (L-352), P.O. Box 808, Livermore, California 94551 (United States); Veprek, S. [Department of Chemistry, Technical University Munich, Lichtenbergstrasse 4, D-85747 Garching (Germany); Leszczynski, Jerzy [Department of Chemistry and Biochemistry, Interdisciplinary Center for Nanotoxicity, Jackson State University, Jackson, Mississippi 39217 (United States); Gorb, Leonid [Department of Chemistry and Biochemistry, Interdisciplinary Center for Nanotoxicity, Jackson State University, Jackson, Mississippi 39217 (United States); Badger Technical Services, LLC, Vicksburg, Mississippi 39180 (United States); Hill, Frances [U.S. Army ERDC, Vicksburg, Mississippi 39180 (United States)

2016-05-28

We report first-principles investigations of crystalline and amorphous boron and M1{sub x}M2{sub y}X{sub z}B{sub 14−z} (M1, M2 = Al, Mg, Li, Na, Y; X = Ti, C, Si) phases (so-called “BAM” materials). Phase stability is analyzed in terms of formation energy and dynamical stability. The atomic configurations as well as the electronic and phonon density states of these phases are compared. Amorphous boron consists of distorted icosahedra, icosahedron fragments, and dioctahedra, connected by an amorphous network. The presence of metal atoms in amorphous BAM materials precludes the formation of icosahedra. For all the amorphous structures considered here, the Fermi level is located in the mobility gap independent of the number of valence electrons. The intra-icosahedral vibrations are localized in the range of 800 cm{sup −1}, whereas the inter-icosahedral vibrations appear at higher wavenumbers. The amorphization leads to an enhancement of the vibrations in the range of 1100–1250 cm{sup −1}. The mechanical properties of BAM materials are investigated at equilibrium and under shear and tensile strain. The anisotropy of the ideal shear and tensile strengths is explained in terms of a layered structure of the B{sub 12} units. The strength of amorphous BAM materials is lower than that of the crystalline counterparts because of the partial fragmentation of the boron icosahedra in amorphous structures. The strength enhancement found experimentally for amorphous boron-based films is very likely related to an increase in film density, and the presence of oxygen impurities. For crystalline BAM materials, the icosahedra are preserved during elongation upon tension as well as upon shear in the (010)[100] slip system.

Hot plate annealing at a low temperature of a thin ferroelectric P(VDF-TrFE) film with an improved crystalline structure for sensors and actuators.

Science.gov (United States)

Mahdi, Rahman Ismael; Gan, W C; Abd Majid, W H

2014-10-14

Ferroelectric poly(vinylidene fluoride-trifluoroethylene) (P(VDF-TrFE)) copolymer 70/30 thin films are prepared by spin coating. The crystalline structure of these films is investigated by varying the annealing temperature from the ferroelectric phase to the paraelectric phase. A hot plate was used to produce a direct and an efficient annealing effect on the thin film. The dielectric, ferroelectric and pyroelectric properties of the P(VDF-TrFE) thin films are measured as a function of different annealing temperatures (80 to 140 °C). It was found that an annealing temperature of 100 °C (slightly above the Curie temperature, Tc) has induced a highly crystalline β phase with a rod-like crystal structure, as examined by X-ray. Such a crystal structure yields a high remanent polarization, Pr = 94 mC/m2, and pyroelectric constant, p = 24 μC/m2K. A higher annealing temperature exhibits an elongated needle-like crystal domain, resulting in a decrease in the crystalline structure and the functional electrical properties. This study revealed that highly crystalline P(VDF-TrFE) thin films could be induced at 100 °C by annealing the thin film with a simple and cheap method.

Bacterial adhesion on amorphous and crystalline metal oxide coatings

International Nuclear Information System (INIS)

Almaguer-Flores, Argelia; Silva-Bermudez, Phaedra; Galicia, Rey; Rodil, Sandra E.

2015-01-01

Several studies have demonstrated the influence of surface properties (surface energy, composition and topography) of biocompatible materials on the adhesion of cells/bacteria on solid substrates; however, few have provided information about the effect of the atomic arrangement or crystallinity. Using magnetron sputtering deposition, we produced amorphous and crystalline TiO 2 and ZrO 2 coatings with controlled micro and nanoscale morphology. The effect of the structure on the physical–chemical surface properties was carefully analyzed. Then, we studied how these parameters affect the adhesion of Escherichia coli and Staphylococcus aureus. Our findings demonstrated that the nano-topography and the surface energy were significantly influenced by the coating structure. Bacterial adhesion at micro-rough (2.6 μm) surfaces was independent of the surface composition and structure, contrary to the observation in sub-micron (0.5 μm) rough surfaces, where the crystalline oxides (TiO 2 > ZrO 2 ) surfaces exhibited higher numbers of attached bacteria. Particularly, crystalline TiO 2 , which presented a predominant acidic nature, was more attractive for the adhesion of the negatively charged bacteria. The information provided by this study, where surface modifications are introduced by means of the deposition of amorphous or crystalline oxide coatings, offers a route for the rational design of implant surfaces to control or inhibit bacterial adhesion. - Highlights: • Amorphous (a) and crystalline (c) TiO 2 and ZrO 2 coatings were deposited. • The atomic ordering influences the coatings surface charge and nano-topography. • The atomic ordering modifies the bacterial adhesion for the same surface chemistry. • S. aureus adhesion was lower on a-TiO 2 and a-ZrO 2 than on their c-oxide counterpart. • E. coli adhesion on a-TiO 2 was lower than on the c-TiO 2

Bacterial adhesion on amorphous and crystalline metal oxide coatings

Energy Technology Data Exchange (ETDEWEB)

Almaguer-Flores, Argelia [Facultad de Odontología, División de Estudios de Posgrado e Investigación, Universidad Nacional Autónoma de México, Circuito exterior s/n, Ciudad Universitaria, 04510 México D.F. (Mexico); Silva-Bermudez, Phaedra, E-mail: suriel21@yahoo.com [Unidad de Ingeniería de Tejidos, Terapia Celular y Medicina Regenerativa, Instituto Nacional de Rehabilitación, Calzada México-Xochimilco No. 289, Col. Arenal de Guadalupe, 14389 México D.F. (Mexico); Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, 04510 México D.F. (Mexico); Galicia, Rey; Rodil, Sandra E. [Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior s/n, Ciudad Universitaria, 04510 México D.F. (Mexico)

2015-12-01

Several studies have demonstrated the influence of surface properties (surface energy, composition and topography) of biocompatible materials on the adhesion of cells/bacteria on solid substrates; however, few have provided information about the effect of the atomic arrangement or crystallinity. Using magnetron sputtering deposition, we produced amorphous and crystalline TiO{sub 2} and ZrO{sub 2} coatings with controlled micro and nanoscale morphology. The effect of the structure on the physical–chemical surface properties was carefully analyzed. Then, we studied how these parameters affect the adhesion of Escherichia coli and Staphylococcus aureus. Our findings demonstrated that the nano-topography and the surface energy were significantly influenced by the coating structure. Bacterial adhesion at micro-rough (2.6 μm) surfaces was independent of the surface composition and structure, contrary to the observation in sub-micron (0.5 μm) rough surfaces, where the crystalline oxides (TiO{sub 2} > ZrO{sub 2}) surfaces exhibited higher numbers of attached bacteria. Particularly, crystalline TiO{sub 2}, which presented a predominant acidic nature, was more attractive for the adhesion of the negatively charged bacteria. The information provided by this study, where surface modifications are introduced by means of the deposition of amorphous or crystalline oxide coatings, offers a route for the rational design of implant surfaces to control or inhibit bacterial adhesion. - Highlights: • Amorphous (a) and crystalline (c) TiO{sub 2} and ZrO{sub 2} coatings were deposited. • The atomic ordering influences the coatings surface charge and nano-topography. • The atomic ordering modifies the bacterial adhesion for the same surface chemistry. • S. aureus adhesion was lower on a-TiO{sub 2} and a-ZrO{sub 2} than on their c-oxide counterpart. • E. coli adhesion on a-TiO{sub 2} was lower than on the c-TiO{sub 2}.

Complex Quasi-Two-Dimensional Crystalline Order Embedded in VO2 and Other Crystals

Science.gov (United States)

Lovorn, Timothy; Sarker, Sanjoy K.

2017-07-01

Metal oxides such as VO2 undergo structural transitions to low-symmetry phases characterized by intricate crystalline order, accompanied by rich electronic behavior. We derive a minimal ionic Hamiltonian based on symmetry and local energetics which describes structural transitions involving all four observed phases, in the correct order. An exact analysis shows that complexity results from the symmetry-induced constraints of the parent phase, which forces ionic displacements to form multiple interpenetrating groups using low-dimensional pathways and distant neighbors. Displacements within each group exhibit independent, quasi-two-dimensional order, which is frustrated and fragile. This selective ordering mechanism is not restricted to VO2 : it applies to other oxides that show similar complex order.

Synthesis and Screening of Phase Change Chalcogenide Thin Film Materials for Data Storage.

Science.gov (United States)

Guerin, Samuel; Hayden, Brian; Hewak, Daniel W; Vian, Chris

2017-07-10

A combinatorial synthetic methodology based on evaporation sources under an ultrahigh vacuum has been used to directly synthesize compositional gradient thin film libraries of the amorphous phases of GeSbTe alloys at room temperature over a wide compositional range. An optical screen is described that allows rapid parallel mapping of the amorphous-to-crystalline phase transition temperature and optical contrast associated with the phase change on such libraries. The results are shown to be consistent with the literature for compositions where published data are available along the Sb 2 Te 3 -GeTe tie line. The results reveal a minimum in the crystallization temperature along the Sb 2 Te 3 -Ge 2 Te 3 tie line, and the method is able to resolve subsequent cubic-to-hexagonal phase transitions in the GST crystalline phase. HT-XRD has been used to map the phases at sequentially higher temperatures, and the results are reconciled with the literature and trends in crystallization temperatures. The results clearly delineate compositions that crystallize to pure GST phases and those that cocrystallize Te. High-throughput measurement of the resistivity of the amorphous and crystalline phases has allowed the compositional and structural correlation of the resistivity contrast associated with the amorphous-to-crystalline transition, which range from 5-to-8 orders of magnitude for the compositions investigated. The results are discussed in terms of the compromises in the selection of these materials for phase change memory applications and the potential for further exploration through more detailed secondary screening of doped GST or similar classes of phase change materials designed for the demands of future memory devices.

Issues concerning the determination of solubility products of sparingly soluble crystalline solids. Solubility of HfO2(cr)

International Nuclear Information System (INIS)

Rai, Dhanpat; Kitamura, Akira; Rosso, Kevin M.; Sasaki, Takayuki; Kobayashi, Taishi

2016-01-01

Solubility studies were conducted with HfO 2 (cr) solid as a function HCl and ionic strength ranging from 2.0 to 0.004 mol kg -1 . These studies involved (1) using two different amounts of the solid phase, (2) acid washing the bulk solid phase, (3) preheating the solid phase to 1400 C, and (4) heating amorphous HfO 2 (am) suspensions to 90 C to ascertain whether the HfO 2 (am) converts to HfO 2 (cr) and to determine the solubility from the oversaturation direction. Based on the results of these treatments it is concluded that the HfO 2 (cr) contains a small fraction of less crystalline, but not amorphous, material [HfO 2 (lcr)] and this, rather than the HfO 2 (cr), is the solubility-controlling phase in the range of experimental variables investigated in this study. The solubility data are interpreted using both the Pitzer and SIT models and they provide log 10 K 0 values of -(59.75±0.35) and -(59.48±0.41), respectively, for the solubility product of HfO 2 (lcr)[HfO 2 (lcr) + 2H 2 O ↔ Hf 4+ + 4OH - ]. The log 10 of the solubility product of HfO 2 (cr) is estimated to be < -63. The observation of a small fraction of less crystalline higher solubility material is consistent with the general picture that mineral surfaces are often structurally and/or compositionally imperfect leading to a higher solubility than the bulk crystalline solid. This study stresses the urgent need, during interpretation of solubility data, of taking precautions to make certain that the observed solubility behavior for sparingly-soluble solids is assigned to the proper solid phase.

Probing the Texture of the Calamitic Liquid Crystalline Dimer of 4-(4-Pentenyloxybenzoic Acid

Directory of Open Access Journals (Sweden)

Maher A. Qaddoura

2010-01-01

Full Text Available The liquid crystalline dimer of 4-(4-pentenyloxybenzoic acid, a member of the n-alkoxybenzoic acid homologous series, was synthesized using potassium carbonate supported on alumina as catalyst. The acid dimer complex exhibited three mesophases; identified as nematic, smectic X1 and smectic X2. Phase transition temperatures and the corresponding enthalpies were recorded using differential scanning calorimetry upon both heating and cooling. The mesophases were identified by detailed texture observations by variable temperature polarized light microscopy. The nematic phase was distinguished by a fluid Schlieren texture and defect points (four and two brushes while the smectic phases were distinguished by rigid marble and mosaic textures, respectively.

Voltammetric and impedance behaviours of surface-treated nano-crystalline diamond film electrodes

International Nuclear Information System (INIS)

Liu, F. B.; Jing, B.; Cui, Y.; Di, J. J.; Qu, M.

2015-01-01

The electrochemical performances of hydrogen- and oxygen-terminated nano-crystalline diamond film electrodes were investigated by cyclic voltammetry and AC impedance spectroscopy. In addition, the surface morphologies, phase structures, and chemical states of the two diamond films were analysed by scanning probe microscopy, Raman spectroscopy, and X-ray photoelectron spectroscopy, respectively. The results indicated that the potential window is narrower for the hydrogen-terminated nano-crystalline diamond film than for the oxygen-terminated one. The diamond film resistance and capacitance of oxygen-terminated diamond film are much larger than those of the hydrogen-terminated diamond film, and the polarization resistances and double-layer capacitance corresponding to oxygen-terminated diamond film are both one order of magnitude larger than those corresponding to the hydrogen-terminated diamond film. The electrochemical behaviours of the two diamond film electrodes are discussed

Scintillating screens based on the single crystalline films of multicomponent garnets: new achievements and possibilities

Czech Academy of Sciences Publication Activity Database

Zorenko, Yu.; Gorbenko, V.; Zorenko, T.; Paprocki, K.; Nikl, Martin; Mareš, Jiří A.; Bilski, P.; Twardak, A.; Sidletskiy, O.; Gerasymov, I.; Grinyov, B.; Fedorov, A.

2016-01-01

Roč. 63, č. 2 (2016), s. 497-502 ISSN 0018-9499 R&D Projects: GA ČR GAP204/12/0805 Institutional support: RVO:68378271 Keywords : Ce dopant * garnets * liquid phase epitaxy * luminescence * scintillators * single crystalline films Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.171, year: 2016

Crystalline Repository Project: Technical progress report for the period October 1, 1982--May 28, 1986

International Nuclear Information System (INIS)

1988-11-01

This document reports the progress made on the development of a second geologic repository in crystalline rocks during the duration of the Crystalline Repository Project from its inception in October 1982 to its termination in May 1986. The reporting elements are arranged by the work breakdown structure so that related studies are presented together. The studies are reported by the Office of Waste Technology Development (OWTD), successor to the Office of Crystalline Repository Development. OWTD is a prime contractor of the US Department of Energy (DOE) Repository Technology Program Office, itself the successor to the Crystalline Repository Project Office. The studies include work by other DOE prime contractors and by contractors to the Office of Crystalline Repository Development. 151 refs

Multiple topological phase transitions in a gyromagnetic photonic crystal

KAUST Repository

Chen, Zeguo

2017-04-19

We present the design of a tunable two-dimensional photonic crystal that exhibits multiple topological phases, including a conventional insulator phase, a quantum spin Hall phase, and a quantum anomalous Hall phase under different combinations of geometric parameters and external magnetic fields. Our photonic crystal enables a platform to study the topology evolution attributed to the interplay between crystalline symmetry and time-reversal symmetry. A four-band tight-binding model unambiguously reveals that the topological property is associated with the pseudospin orientations and that it is characterized by the spin Chern number. The emerging quantum anomalous Hall phase features a single helical edge state that is locked by a specific pseudospin. Simulation results demonstrate that the propagation of such a single helical edge state is robust against magnetic impurities. Potential applications, such as spin splitters, are described.

β-Tricalcium Phosphate Interferes with the Assessment of Crystallinity in Burned Skeletal Remains

Directory of Open Access Journals (Sweden)

Giampaolo Piga

2018-01-01

Full Text Available The analysis of burned remains is a highly complex process, and a better insight can be gained with advanced technologies. The main goal of this paper is to apply X-ray diffraction, partially supported by infrared attenuated total reflectance spectroscopy to determine changes in burned human bones and teeth in terms of mineral phase transformations. Samples of 36 bones and 12 teeth were heated at 1050°C and afterwards subjected to XRD and ATR-IR. The crystallinity index was calculated for every sample. A quantitative evaluation of phases was documented by using the Rietveld approach. In addition to bioapatite, the following mineralogical phases were found in the bone: β-tricalcium phosphate (β-TCP (Ca3(PO42, lime (CaO, portlandite (Ca(OH2, calcite (CaCO3, and buchwaldite (NaCaPO4. In the case of bone, besides bioapatite, only the first two mineralogical phases and magnesium oxide were present. We also observed that the formation of β-TCP affects the phosphate peaks used for CI calculation. Therefore, caution is needed when its occurrence and evaluation are carried out. This is an important warning for tracking heat-induced changes in human bone, in terms of physicochemical properties related to structure, which is expected to impact in forensic, bioanthropological, and archaeological contexts.

Liquid Crystals - The 'Fourth' Phase of Matter

Indian Academy of Sciences (India)

possibilities of novel technological applications. Liquid crystalline materials ... advanced instrumentation, including laptops and futuristic flat panel displays. .... The twist grain-boundary phase is formed when the layers of a smectic A phase are .... the optic axis) is uniformly oriented parallel to the glass plate. (see Figure IIa).

Energy difference and energy of mixing for crystalline structures of Ni-Ti-Mo alloys

International Nuclear Information System (INIS)

Skorentsev, L.F.; Demidenko, V.S.

1995-01-01

Using the locator variant of the coherent potential method combined with the canonical d band approximation, we have obtained the energy characteristics of molybdenum-containing titanium nickelide alloys for real and virtual high-symmetry crystalline phases. We have analyzed the reasons implied by the calculation results for the difference in the properties of molybdenum- and iron-containing alloys

Review of status developments of high-efficiency crystalline silicon solar cells

Science.gov (United States)

Liu, Jingjing; Yao, Yao; Xiao, Shaoqing; Gu, Xiaofeng

2018-03-01

In order to further improve cell efficiency and reduce cost in achieving grid parity, a large number of PV manufacturing companies, universities and research institutes have been devoted to a variety of low-cost and high-efficiency crystalline Si solar cells. In this article, the cell structures, characteristics and efficiency progresses of several types of high-efficiency crystalline Si solar cells that have been in small scale production or are promising in mass production are presented, including passivated emitter rear cell, tunnel oxide passivated contact solar cell, interdigitated back contact cell, heterojunction with intrinsic thin-layer cell, and heterojunction solar cells with interdigitated back contacts. Both the industrialization status and future development trend of high-efficiency crystalline silicon solar cells are also pinpointed.

Solid phase crystallisation of HfO2 thin films

International Nuclear Information System (INIS)

Modreanu, M.; Sancho-Parramon, J.; O'Connell, D.; Justice, J.; Durand, O.; Servet, B.

2005-01-01

In this paper, we report on the solid phase crystallisation of carbon-free HfO 2 thin films deposited by plasma ion assisted deposition (PIAD). After deposition, the HfO 2 films were annealed in N 2 ambient for 3 h at 350, 550 and 750 deg. C. Several characterisation techniques including X-ray reflectometry (XRR), X-ray diffraction (XRD), spectroscopic ellipsometry (SE) and atomic force microscopy (AFM) were used for the physical characterisation of as-deposited and annealed HfO 2 . XRD has revealed that the as-deposited HfO 2 film is in an amorphous-like state with only traces of crystalline phase and that the annealed films are in a highly crystalline state. These results are in good agreement with the SE results showing an increase of refractive index by increasing the annealing temperature. XRR results show a significant density gradient over the as-deposited film thickness, which is characteristic of the PIAD method. The AFM measurements show that the HfO 2 layers have a smooth surface even after annealing at 750 deg. C. The present study demonstrates that the solid phase crystallisation of HfO 2 PIAD thin films starts at a temperature as low as 550 deg. C

Crystallinity changes of electron-beam irradiated ethylene-vinyl alcohol copolymer (EVOH) as a function of radiation dose

International Nuclear Information System (INIS)

Nogueira, Beatriz R.; Martins, Joao F.T.; Oliveira, Rene R.; Moura, Esperidiana A.B.

2011-01-01

The treatment with electron-beam radiation is a promising approach to the controllable modification of the properties of the polymeric materials, in order to adjust their properties. In recent years, electron-beam irradiation have been efficiently applied in the flexible packaging industry to promote cross-linking and scission of the polymeric chains in order to improve material mechanical properties. On the other hand, ionizing irradiation can also affect the polymeric materials itself leading to a production of free radicals. These free radicals can in turn lead to degradation and or cross-linking phenomena. In the present work the changes in thermal properties of electron-beam irradiated ethylene-vinyl alcohol copolymer (EVOH) resin were investigated. The EVOH resin was irradiated up to 500 kGy using a 1.5 MeV electron beam accelerator, at room temperature in presence of air. The EVOH samples irradiated from 300 kGy presented increases in melting temperature, except for 350 kGy. The changes in properties of the EVOH resin after irradiation were evaluated by differential scanning calorimetry (DSC) and X-Rays Diffraction (XRD). The correlation between the properties of EVOH non-irradiated and irradiated EVOH samples were discussed. The XRD results showed a slight shift of diffraction peaks, as well as an increase of width, DSC results also showed differences on crystallinity degree, for irradiated EVOH samples, which suggests that a decrease or an increase in degree crystallinity of EVOH will depends on radiation dose applied. These results are very important because shows a slight decrease in crystallinity of irradiated EVOH, a decrease in the crystallinity degree usually is related with an increase of the amorphous phase due to, probably, the predominance of molecular chain cross-linking of EVOH over the molecular chain scission and degradation process, caused by ionizing radiation, and a consequent improvement of their properties, such as thermal, mechanical

a significant site for hydrogeological investigation in crystalline ...

Indian Academy of Sciences (India)

Estimating the hydrogeologic control of fractured aquifers in hard crystalline and metamorphosed rocks is challenging due to complexity in the development of secondary porosity. The present study in the Precambrian metamorphic terrain in and around the Balarampur of Purulia district, West Bengal, India, aims to estimate ...

Bio-based liquid crystalline polyesters

Science.gov (United States)

Wilsens, Carolus; Rastogi, Sanjay; Dutch Collaboration

2013-03-01

The reported thin-film polymerization has been used as a screening method in order to find bio-based liquid crystalline polyesters with convenient melting temperatures for melt-processing purposes. An in depth study of the structural, morphological and chemical changes occurring during the ongoing polycondensation reactions of these polymers have been performed. Structural and conformational changes during polymerization for different compositions have been followed by time resolved X-ray and Infrared spectroscopy. In this study, bio-based monomers such as vanillic acid and 2,5-furandicarboxylic acid are successfully incorporated in liquid crystalline polyesters and it is shown that bio-based liquid crystalline polymers with high aromatic content and convenient processing temperatures can be synthesized. Special thanks to the Dutch Polymer Institute for financial support

Phase transition of TiO{sub 2} thin films detected by the pulsed laser photoacoustic technique

Energy Technology Data Exchange (ETDEWEB)

Perez-Pacheco, A.; Castaneda-Guzman, R.; Oliva Montes de Oca, C.; Esparza-Garcia, A. [Universidad Nacional Autonoma de Mexico, CCADET-UNAM, Laboratorio de Fotofisica y Peliculas Delgadas, Cd. Universitaria, A.P. 70-186, Mexico D.F. (Mexico); Perez Ruiz, S.J. [CCADET-UNAM, Acustica y Vibraciones, Mexico D.F. (Mexico)

2011-03-15

In this work, we present characterization of titanium oxide thin films by photoacoustic measurements to determine the ablation threshold and phase transitions from amorphous to crystalline states. The important advantages of this method are that it does not require amplification at the detection stage and that it is a non-destructive technique. The correlation analysis of the photoacoustic signals allows us to visualize the ablation threshold and the phase transitions with enhanced sensitivity. This correlation analysis clearly exhibits the changes in the thin-film morphology due to controlled variations of the fluence (energy/area) and the temperature of the surrounding medium. This is particularly important for those cases where the crystalline changes caused by temperature variations need to be monitored. The thin-film samples were prepared by the sputtering technique at room temperature in the amorphous state. The phase transformations were induced by controlled temperature scanning and then corroborated with Raman spectroscopy measurements. (orig.)

Crystallinity in starch plastics: consequences for material properties

NARCIS (Netherlands)

Soest, van J.J.G.; Vliegenthart, J.F.G.

1997-01-01

The processing of starches with biodegradable additives has made biodegradable plastics suitable for a number of applications. Starch plastics are partially crystalline as a result of residual crystallinity and the recrystallization of amylose and amylopectin. Such crystallinity is a key determinant

Hydrogen Bond Induces Hierarchical Self-Assembly in Liquid-Crystalline Block Copolymers.

Science.gov (United States)

Huang, Shuai; Pang, Linlin; Chen, Yuxuan; Zhou, Liming; Fang, Shaoming; Yu, Haifeng

2018-03-01

Microphase-separated structures of block copolymers (BCs) with a size of sub-10 nm are usually obtained by hydrogen-bond-induced self-assembly of BCs through doping with small molecules as functional additives. Here, fabrication of hierarchically self-assembled sub-10 nm structures upon microphase separation of amphiphilic liquid-crystalline BCs (LCBCs) at the existence of hydrogen bonds but without any dopants is reported. The newly introduced urethane groups in the side chain of the hydrophobic block of LCBCs interact with the ether groups of the hydrophilic poly(ethylene oxide) (PEO) block, leading to imperfect crystallization of the PEO blocks. Both crystalline and amorphous domains coexist in the separated PEO phase, enabling a lamellar structure to appear inside the PEO nanocylinders. This provides an elegant method to fabricate controllable sub-10 nm microstructures in well-defined polymer systems without the introduction of any dopants. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Unravelling the local structure of topological crystalline insulators using hyperfine interactions

CERN Multimedia

Phenomena emerging from relativistic electrons in solids have become one the main topical subjects in condensed matter physics. Among a wealth of intriguing new phenomena, several classes of materials have emerged including graphene, topological insulators and Dirac semi-metals. This project is devoted to one such class of materials, in which a subtle distortion of the crystalline lattice drives a material through different topological phases: Z$_{2}$ topological insulator (Z$_{2}$-TI), topological crystalline insulator (TCI), or ferroelectric Rashba semiconductor (FERS). We propose to investigate the local structure of Pb$_{1-x}$Sn$_{x}$Te and Ge$_{1-x}$Sn$_{x}$Te (with $\\textit{x}$ from 0 to 1) using a combination of experimental techniques based on hyperfine interactions: emission Mössbauer spectroscopy (eMS) and perturbed angular correlation spectroscopy (PAC). In particular, we propose to study the effect of composition ($\\textit{x}$ in Pb$_{1-x}$Sn$_{x}$Te and Ge$_{1-x}$Sn$_{x}$Te) on: \\\\ \\\\(1) the mag...

Amorphous-crystalline transition studied in hydrated MoO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Camacho-Lopez, M.A. [Facultad de Quimica, Universidad Autonoma del Estado de Mexico, Paseo Colon y Tollocan, Toluca Edo. de Mexico 50110 (Mexico); Haro-Poniatowski, E. [Departamento de Fisica, Laboratorio de Optica Cuantica, Universidad Autonoma Metropolitana-Iztapalapa, Apdo. Postal 55-534, Mexico, D.F. 09340 (Mexico); Lartundo-Rojas, L. [Laboratorio de Microscopia, Universidad Autonoma Metropolitana-Iztapalapa, Apdo. Postal 55-534, Mexico, D.F. 09340 (Mexico); Livage, J. [Chimie de la Matiere Condensee, Universite Pierre et Marie Curie, 4 Place Jussieu, 75252 Paris Cedex 05 (France); Julien, C.M. [Institut des Nano-Sciences de Paris, UMR 7588, Universite Pierre et Marie Curie, Campus Boucicaut, 140 rue de Lourmel, 75015 Paris (France)]. E-mail: Christian.Julien@insp.jussieu.fr

2006-11-25

In this work we study the thermal behavior of hydrated MoO{sub 3} synthesized via acidification of sodium molybdate. MoO{sub 3}.nH{sub 2}O (n = 1.4) amorphous compound was heated in air at increasing temperatures in order to obtain the crystalline MoO{sub 3} phase. We have studied the structural changes as a function of annealing temperature by Raman spectroscopy. A statistical study to determine the average size of the crystallites at each annealing step has been realized by scanning electron microscopy. Results show that the hydrated MoO{sub 3}.1.4H{sub 2}O glass transforms in an amorphous MoO{sub 3}.0.7H{sub 2}O phase prior to its crystallization, while the sample heated at 500 deg. C crystallizes into the orthorhombic {alpha}-MoO{sub 3} phase with micro-crystallites having an average size of 6.8 {mu}m.

Low-energy electron transmission and secondary-electron emission experiments on crystalline and molten long-chain alkanes

International Nuclear Information System (INIS)

Ueno, N.; Sugita, K.; Seki, K.; Inokuchi, H.

1986-01-01

This paper describes the results of low-energy electron transmission and secondary-electron emission experiments on thin films of long-chain alkanes deposited on metal substrates. The spectral changes due to crystal-melt phase transition were measured in situ in both experiments. The ground-state energy V 0 of the quasifree electron in crystalline state was determined to be 0.5 +- 0.1 eV. The value of V 0 for the molten state was found to be negative. Further, in the crystalline state evidence is found for a direct correspondence between the transmission maxima and the high value of the density of states in the conduction bands

Analysis of writing and erasing behaviours in phase change materials

Energy Technology Data Exchange (ETDEWEB)

Hyot, B. E-mail: bhyot@cea.fr; Poupinet, L.; Gehanno, V.; Desre, P.J

2002-09-01

An understanding of the process involved in writing and erasing of phase-change optical recording media is vital to the development of new, and the improvement of existing, products. The present work investigates both experimental and theoretical laser-induced fast structural transformations of GeSbTe thin films. Optical and microstructural changes are correlated using both a static tester and transmission electron microscopy. In the second part of this paper we try to elucidate the physics underlying the amorphous-to-crystalline phase transformation under short-pulse laser excitation. Both thermal and thermodynamical behaviours must be taken into account to illustrate real processes.

Analysis of writing and erasing behaviours in phase change materials

International Nuclear Information System (INIS)

Hyot, B.; Poupinet, L.; Gehanno, V.; Desre, P.J.

2002-01-01

An understanding of the process involved in writing and erasing of phase-change optical recording media is vital to the development of new, and the improvement of existing, products. The present work investigates both experimental and theoretical laser-induced fast structural transformations of GeSbTe thin films. Optical and microstructural changes are correlated using both a static tester and transmission electron microscopy. In the second part of this paper we try to elucidate the physics underlying the amorphous-to-crystalline phase transformation under short-pulse laser excitation. Both thermal and thermodynamical behaviours must be taken into account to illustrate real processes

Kinetics and mechanism of solid-phase reactions of formation of yttrium ferrite with garnet structure

Energy Technology Data Exchange (ETDEWEB)

Pashchenko, V P; Yakushevskaya, F T; Chalyi, V P

1977-04-01

The perovskite phase is formed in the process of ferrogarnet formation both from the mixture of Y and Fe oxides and from mutually precipitated carbonates. The amount of the perovskite phase decreases with increasing duration of annealing. The process of the ferritoformation in the investigated systems can be presented as isovalent cationic substitution on the basis of the crystalline structure of Y/sub 2/O/sub 3/ with the formation of the perovskite structure. When the Fe concentration in orthoferrite increases, the phase with a garnet structure is formed.

Geotechnical assessment and instrumentation needs for isolation of nuclear waste in crystalline rocks: symposium proceedings

International Nuclear Information System (INIS)

Ubbes, W.F.; Duguid, J.O.

1985-09-01

On October 15-19, 1984, the Geotechnical Assessment and Instrumentation Needs (GAIN) Symposium was convened to examine the status of technology for the isolation of nuclear waste in crystalline rock. The objective of the 1984 GAIN Symposium was to provide technical input to the Crystalline Repository Project concerning: critical issues and information needs associated with development and assessment of a repository in crystalline rock; appropriate techniques and instrumentation for determining the information needed; and technology required to provide the measurement techniques and instrumentation for application in an exploratory shaft in crystalline rock. The findings and recommendations of the symposium are presented in these proceedings

Thermotropic liquid crystalline polyazomethine nanocomposites via in situ interlayer polymerization

International Nuclear Information System (INIS)

Min, Ungki; Chang, Jin-Hae

2011-01-01

Highlights: → Nanocomposites of polyazomethine with the organoclay C 12 -MMT were synthesized by using the in situ interlayer polymerization method. → The thermal properties of the polyazomethine hybrids increase with the addition of the organoclay up to a critical content and then decrease with further organoclay loading. → Liquid crystalline compositions with 0-9 wt% organoclay have threaded Schlieren nematic textures. - Abstract: Nanocomposites of polyazomethine (PAM) with the organoclay C 12 -MMT were synthesized by using the in situ interlayer polymerization method. The variations with organoclay content of the thermal properties, morphology, and liquid crystalline mesophases of the hybrids were determined for concentrations from 0 to 9 wt% C 12 -MMT. The thermal properties and the morphologies of the PAM nanocomposites were examined by using differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), wide angle X-ray diffractometry (XRD), transmission electron microscopy (TEM), and polarizing optical microscopy (POM). The XRD analysis and TEM micrographs show that the levels of nanosize dispersion can be controlled by varying the C 12 -MMT content. The clay particles are better dispersed in the matrix polymer at low clay contents than at high clay contents. With the exception of the glass transition temperature (T g ), the maximum enhancement in the thermal properties was found to arise at an organoclay content of 1 wt%. Further, the PAM hybrids were shown to exhibit a nematic liquid crystalline phase for organoclay contents in the range 0-9 wt%.

Simulation of bulk phases formed by polyphilic liquid crystal dendrimers

Directory of Open Access Journals (Sweden)

J.M. Ilnytskyi

2010-01-01

Full Text Available A coarse-grained simulation model for a third generation liquid crystalline dendrimer (LCDr is presented. It allows, for the first time, for a successful molecular simulation study of a relation between the shape of a polyphilic macromolecular mesogen and the symmetry of a macroscopic phase. The model dendrimer consists of a soft central sphere and 32 grafted chains each terminated by a mesogen group. The mesogenic pair interactions are modelled by the recently proposed soft core spherocylinder model of Lintuvuori and Wilson [J. Chem. Phys, 128, 044906, (2008]. Coarse-grained (CG molecular dynamics (MD simulations are performed on a melt of 100 molecules in the anisotropic-isobaric ensemble. The model LCDr shows conformational bistability, with both rod-like and disc-like conformations stable at lower temperatures. Each conformation can be induced by an external aligning field of appropriate symmetry that acts on the mesogens (uniaxial for rod-like and planar for disc-like, leading to formation of a monodomain smectic A (SmA or a columnar (Col phase, respectively. Both phases are stable for approximately the same temperature range and both exhibit a sharp transition to an isotropic cubic-like phase upon heating. We observe a very strong coupling between the conformation of the LCDr and the symmetry of a bulk phase, as suggested previously by theory. The study reveals rich potential in terms of the application of this form of CG modelling to the study of molecular self-assembly of liquid crystalline macromolecules.

Temperature dependence of thermal properties of Ag8In14Sb55Te23 phase-change memory materials

International Nuclear Information System (INIS)

Jiao, Xinbing; Gan, Fuxi; Wei, Jingsong; Xiao, Mufei

2009-01-01

The dependence of thermal properties of Ag 8 In 14 Sb 55 Te 23 phase-change memory materials in crystalline and amorphous states on temperature was measured and analyzed. The results show that in the crystalline state, the thermal properties monotonically decrease with the temperature and present obvious crystalline semiconductor characteristics. The heat capacity, thermal diffusivity, and thermal conductivity decrease from 0.35 J/gK, 1.85 mm 2 /s, and 4.0 W/mK at 300 K to 0.025 J/gK, 1.475 mm 2 /s, and 0.25 W/mK at 600 K, respectively. In the amorphous state, while the dependence of thermal properties on temperature does not present significant changes, the materials retain the glass-like thermal characteristics. Within the temperature range from 320 K to 440 K, the heat capacity fluctuates between 0.27 J/gK and 0.075 J/gK, the thermal diffusivity basically maintains at 0.525 mm 2 /s, and the thermal conductivity decreases from 1.02 W/mK at 320 K to 0.2 W/mK at 440 K. Whether in the crystalline or amorphous state, Ag 8 In 14 Sb 55 Te 23 are more thermally active than Ge 2 Sb 2 Te 5 , that is, the Ag 8 In 14 Sb 55 Te 23 composites bear stronger thermal conduction and diffusion than the Ge 2 Sb 2 Te 5 phase-change memory materials. (orig.)

Nanoscale crystallinity modulates cell proliferation on plasma sprayed surfaces

Energy Technology Data Exchange (ETDEWEB)

Smith, Alan M. [School of Applied Sciences, University of Huddersfield, Huddersfield HD1 3DH (United Kingdom); Paxton, Jennifer Z.; Hung, Yi-Pei; Hadley, Martin J.; Bowen, James; Williams, Richard L. [School of Chemical Engineering, University of Birmingham, Edgbaston, B15 2TT (United Kingdom); Grover, Liam M., E-mail: l.m.grover@bham.ac.uk [School of Chemical Engineering, University of Birmingham, Edgbaston, B15 2TT (United Kingdom)

2015-03-01

Calcium phosphate coatings have been applied to the surface of metallic prostheses to mediate hard and soft tissue attachment for more than 40 years. Most coatings are formed of high purity hydroxyapatite, and coating methods are often designed to produce highly crystalline surfaces. It is likely however, that coatings of lower crystallinity can facilitate more rapid tissue attachment since the surface will exhibit a higher specific surface area and will be considerably more reactive than a comparable highly crystalline surface. Here we test this hypothesis by growing a population of MC3T3 osteoblast-like cells on the surface of two types of hip prosthesis with similar composition, but with differing crystallinity. The surfaces with lower crystallinity facilitated more rapid cell attachment and increased proliferation rate, despite having a less heterogeneous surface topography. This work highlights that the influence of the crystallinity of HA at the nano-scale is dominant over macro-scale topography for cell adhesion and growth. Furthermore, crystallinity could be easily adjusted by without compromising coating purity. These findings could facilitate designing novel coated calcium phosphate surfaces that more rapidly bond tissue following implantation. - Highlights: • Crystallinity of HA at the nano-scale was dominant over macro-scale topography. • Lower crystallinity caused rapid cell attachment and proliferation rate. • Crystallinity could be easily adjusted by without compromising coating purity.

Nanoscale crystallinity modulates cell proliferation on plasma sprayed surfaces

International Nuclear Information System (INIS)

Smith, Alan M.; Paxton, Jennifer Z.; Hung, Yi-Pei; Hadley, Martin J.; Bowen, James; Williams, Richard L.; Grover, Liam M.

2015-01-01

Calcium phosphate coatings have been applied to the surface of metallic prostheses to mediate hard and soft tissue attachment for more than 40 years. Most coatings are formed of high purity hydroxyapatite, and coating methods are often designed to produce highly crystalline surfaces. It is likely however, that coatings of lower crystallinity can facilitate more rapid tissue attachment since the surface will exhibit a higher specific surface area and will be considerably more reactive than a comparable highly crystalline surface. Here we test this hypothesis by growing a population of MC3T3 osteoblast-like cells on the surface of two types of hip prosthesis with similar composition, but with differing crystallinity. The surfaces with lower crystallinity facilitated more rapid cell attachment and increased proliferation rate, despite having a less heterogeneous surface topography. This work highlights that the influence of the crystallinity of HA at the nano-scale is dominant over macro-scale topography for cell adhesion and growth. Furthermore, crystallinity could be easily adjusted by without compromising coating purity. These findings could facilitate designing novel coated calcium phosphate surfaces that more rapidly bond tissue following implantation. - Highlights: • Crystallinity of HA at the nano-scale was dominant over macro-scale topography. • Lower crystallinity caused rapid cell attachment and proliferation rate. • Crystallinity could be easily adjusted by without compromising coating purity

Optical study of phase transitions in single-crystalline RuP

Science.gov (United States)

Chen, R. Y.; Shi, Y. G.; Zheng, P.; Wang, L.; Dong, T.; Wang, N. L.

2015-03-01

RuP single crystals of MnP-type orthorhombic structure were synthesized by the Sn flux method. Temperature-dependent x-ray diffraction measurements reveal that the compound experiences two structural phase transitions, which are further confirmed by enormous anomalies shown in temperature-dependent resistivity and magnetic susceptibility. Particularly, the resistivity drops monotonically upon temperature cooling below the second transition, indicating that the material shows metallic behavior, in sharp contrast with the insulating ground state of polycrystalline samples. Optical conductivity measurements were also performed in order to unravel the mechanism of these two transitions. The measurement revealed a sudden reconstruction of band structure over a broad energy scale and a significant removal of conducting carriers below the first phase transition, while a charge-density-wave-like energy gap opens below the second phase transition.

Issues concerning the determination of solubility products of sparingly soluble crystalline solids. Solubility of HfO{sub 2}(cr)

Energy Technology Data Exchange (ETDEWEB)

Rai, Dhanpat [Rai Enviro-Chem, LLC, Yachats, OR (United States); Kitamura, Akira [Japan Atomic Energy Agency, Ibaraki (Japan); Rosso, Kevin M. [Pacific Northwest National Laboratory, Richland, WA (United States); Sasaki, Takayuki; Kobayashi, Taishi [Kyoto Univ. (Japan)

2016-11-01

Solubility studies were conducted with HfO{sub 2}(cr) solid as a function HCl and ionic strength ranging from 2.0 to 0.004 mol kg{sup -1}. These studies involved (1) using two different amounts of the solid phase, (2) acid washing the bulk solid phase, (3) preheating the solid phase to 1400 C, and (4) heating amorphous HfO{sub 2}(am) suspensions to 90 C to ascertain whether the HfO{sub 2}(am) converts to HfO{sub 2}(cr) and to determine the solubility from the oversaturation direction. Based on the results of these treatments it is concluded that the HfO{sub 2}(cr) contains a small fraction of less crystalline, but not amorphous, material [HfO{sub 2}(lcr)] and this, rather than the HfO{sub 2}(cr), is the solubility-controlling phase in the range of experimental variables investigated in this study. The solubility data are interpreted using both the Pitzer and SIT models and they provide log{sub 10} K{sup 0} values of -(59.75±0.35) and -(59.48±0.41), respectively, for the solubility product of HfO{sub 2}(lcr)[HfO{sub 2}(lcr) + 2H{sub 2}O ↔ Hf{sup 4+} + 4OH{sup -}]. The log{sub 10} of the solubility product of HfO{sub 2}(cr) is estimated to be < -63. The observation of a small fraction of less crystalline higher solubility material is consistent with the general picture that mineral surfaces are often structurally and/or compositionally imperfect leading to a higher solubility than the bulk crystalline solid. This study stresses the urgent need, during interpretation of solubility data, of taking precautions to make certain that the observed solubility behavior for sparingly-soluble solids is assigned to the proper solid phase.

Correlation between structural, optical and electrical properties anf the suitability of phase change alloys

Energy Technology Data Exchange (ETDEWEB)

Woda, Michael; Steimer, Christoph; Wamwangi, Daniel; Wuttig, Matthias [I. Insitute of Physics (IA), RWTH Aachen University, 52056 Aachen (Germany)

2007-07-01

Phase change random access memory (PCRAM) is a very promising candidate to replace Flash memories employed in the non-volatile storage sector. In the active region of this emerging memory, a phase change material is found. This class of materials is already used in rewritable optical data storage. In both application areas the reversible switching between the amorphous and the crystalline state by short current or laser pulses, respectively is used to store data. A key question that has not yet been answered regards the optimum choice of materials for phase change recording. We present a material selection strategy which classifies carefully chosen alloys, being representative for a larger selection of phase change materials, regarding their suitability for non-volatile storage applications. XRD and XRR measurements reveal structural properties of the as-deposited, amorphous and the crystalline state, the corresponding local bond arrangements and the change of film density. Ellipsometry measurements determine the optical contrast of the samples while the temperature dependent resistivity is measured by four point probe experiments. Finally the electrical switching behaviour is tested in nanometer size test cells to validate the full functionality of the chosen materials.

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

International Nuclear Information System (INIS)