Effect of. gamma. -irradiation on the crystalline structure of silk fibroin and silk sericin

Energy Technology Data Exchange (ETDEWEB)

Tsukada, Masuhiro; Aoki, Akira

1985-02-01

Changes in the crystalline structure of silk sericin and silk fibroin induced by gamma-irradiation in the atmosphere described. The crystalline structure of silk sericin which had been subjected to gamma-irradiation remained unchanged. However the decomposition temperature of the specimen decreased to about 230 deg C, when the total dose of ..gamma.. rays exceeded 4.6 Mrad. The structure of the silk 1 type crystal of silk fibroin in the solid state, with a low degree of molecular orientation, changed into the silk 2 type crystal, when the total dose of ..gamma.. rays exceeded 4.6 Mrad. No changes in the crystalline structure were observed in the solid state of the silk 2 type crystal regardless of gamma-irradiation. The decrease in the decomposition temperature of the specimen was attributed to the decrease in the molecular orientation. However, the molecular conformation of silk fibroin with a randomly coiled structure remained unchanged even after gamma-irradiation.

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.

Study of the structural evolutions of crystalline tungsten oxide films prepared using hot-filament CVD

International Nuclear Information System (INIS)

Feng, P X; Wang, X P; Zhang, H X; Yang, B Q; Wang, Z B; Gonzalez-BerrIos, A; Morell, G; Weiner, B

2007-01-01

Structural evolutions of tungsten oxide(WO 3 ) samples on different substrates are studied using Raman spectroscopy, scanning electron microscopy, energy dispersive spectroscopy, x-ray diffraction and x-ray photoelectron spectroscopy. The WO 3 samples are prepared using hot-filament CVD techniques. The focus of the study is on the evolutions of nano structures at different stages following deposition time. The experimental measurements reveal evolutions of the surface structures from uniform film to fractal-like structures, and eventually to nano particles, and crystalline structures from mono (0 1 0) crystalline thin film to polycrystalline thick film developments. The effect of high temperature on the nanostructured WO 3 is also investigated. Well-aligned nanoscale WO 3 rod arrays are obtained at a substrate temperature of up to 1400 deg. C. Further increasing the substrate temperature yields microscale crystalline WO 3 particles

Quasi-crystalline geometry for architectural structures

DEFF Research Database (Denmark)

Weizierl, Barbara; Wester, Ture

2001-01-01

Artikel på CD-Rom 8 sider. The quasi-crystal (QC) type of material was discovered in 1983 by Dan Schechtman from Technion, Haifa. This new crystalline structure of material broke totally with the traditional conception of crystals and geometry introducing non-periodic close packing of cells...... with fivefold symmetry in 3D space. The quasi-crystal geometry can be constructed from two different cubic cells with identical rhombic facets, where the relation between the diagonals is the golden section. All cells have identical rhombic faces, identical edges and identical icosahedral/dedecahedral nodes....... The purpose of the paper is to investigate some possibilities for the application of Quasi-Crystal geometry for structures in architecture. The basis for the investigations is A: to use the Golden Cubes (the two different hexahedra consisting of rhombic facets where the length of the diagonals has the Golden...

Effects of alkaline or liquid-ammonia treatment on crystalline cellulose: changes in crystalline structure and effects on enzymatic digestibility

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Himmel Michael E

2011-10-01

Full Text Available Abstract Background In converting biomass to bioethanol, pretreatment is a key step intended to render cellulose more amenable and accessible to cellulase enzymes and thus increase glucose yields. In this study, four cellulose samples with different degrees of polymerization and crystallinity indexes were subjected to aqueous sodium hydroxide and anhydrous liquid ammonia treatments. The effects of the treatments on cellulose crystalline structure were studied, in addition to the effects on the digestibility of the celluloses by a cellulase complex. Results From X-ray diffractograms and nuclear magnetic resonance spectra, it was revealed that treatment with liquid ammonia produced the cellulose IIII allomorph; however, crystallinity depended on treatment conditions. Treatment at a low temperature (25°C resulted in a less crystalline product, whereas treatment at elevated temperatures (130°C or 140°C gave a more crystalline product. Treatment of cellulose I with aqueous sodium hydroxide (16.5 percent by weight resulted in formation of cellulose II, but also produced a much less crystalline cellulose. The relative digestibilities of the different cellulose allomorphs were tested by exposing the treated and untreated cellulose samples to a commercial enzyme mixture (Genencor-Danisco; GC 220. The digestibility results showed that the starting cellulose I samples were the least digestible (except for corn stover cellulose, which had a high amorphous content. Treatment with sodium hydroxide produced the most digestible cellulose, followed by treatment with liquid ammonia at a low temperature. Factor analysis indicated that initial rates of digestion (up to 24 hours were most strongly correlated with amorphous content. Correlation of allomorph type with digestibility was weak, but was strongest with cellulose conversion at later times. The cellulose IIII samples produced at higher temperatures had comparable crystallinities to the initial cellulose I

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

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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.

Crystalline Coating and Its Influence on the Water Transport in Concrete

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Pavel Reiterman

2016-01-01

Full Text Available The presented paper deals with an experimental study of the efficiency of surface coating treatment based on secondary crystallization as an additional protection of the subsurface concrete structure loaded by moisture or ground water pressure. The aim of the experimental program was the evaluation of the depth impact of the crystalline coating and the assessment of the reliability of construction joints performed on models simulating real conditions of the concrete structure. The evolution of the secondary crystallizing process was monitored using the water absorption test carried out at different depths of the samples. The coefficient of adsorption decreased to 60% of the reference mixture for a surface layer of up to 40 mm at 28 days and to 50% at 180 days after the coating’s application. Furthermore, the electrical resistivity method was applied with respect to the nature of measurement and the low accessibility of real subsurface concrete structures. The results of moisture measurement at a depth of 180–190 mm from the surface treated with a crystalline coating showed an essential decrease in moisture content percentage in comparison with untreated specimens (measured 125 days after the coating’s application.

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

Establishing whether the structural feature controlling the mechanical properties of starch films is molecular or crystalline.

Science.gov (United States)

Li, Ming; Xie, Fengwei; Hasjim, Jovin; Witt, Torsten; Halley, Peter J; Gilbert, Robert G

2015-03-06

The effects of molecular and crystalline structures on the tensile mechanical properties of thermoplastic starch (TPS) films from waxy, normal, and high-amylose maize were investigated. Starch structural variations were obtained through extrusion and hydrothermal treatment (HTT). The molecular and crystalline structures were characterized using size-exclusion chromatography and X-ray diffractometry, respectively. TPS from high-amylose maize showed higher elongation at break and tensile strength than those from normal maize and waxy maize starches when processed with 40% plasticizer. Within the same amylose content, the mechanical properties were not affected by amylopectin molecular size or the crystallinity of TPS prior to HTT. This lack of correlation between the molecular size, crystallinity and mechanical properties may be due to the dominant effect of the plasticizer on the mechanical properties. Further crystallization of normal maize TPS by HTT increased the tensile strength and Young's modulus, while decreasing the elongation at break. The results suggest that the crystallinity from the remaining ungelatinized starch granules has less significant effect on the mechanical properties than that resulting from starch recrystallization, possibly due to a stronger network from leached-out amylose surrounding the remaining starch granules. Copyright © 2014 Elsevier Ltd. All rights reserved.

Evolution of optical properties and band structure from amorphous to crystalline Ga2O3 films

Science.gov (United States)

Zhang, Fabi; Li, Haiou; Cui, Yi-Tao; Li, Guo-Ling; Guo, Qixin

2018-04-01

The optical properties and band structure evolution from amorphous to crystalline Ga2O3 films was investigated in this work. Amorphous and crystalline Ga2O3 films were obtained by changing the growth substrate temperatures of pulsed laser deposition and the crystallinity increase with the rising of substrate temperature. The bandgap value and ultraviolet emission intensity of the films increase with the rising of crystallinity as observed by means of spectrophotometer and cathodoluminescence spectroscopy. Abrupt bandgap value and CL emission variations were observed when amorphous to crystalline transition took place. X-ray photoelectron spectroscopy core level spectra reveal that more oxygen vacancies and disorders exist in amorphous Ga2O3 film grown at lower substrate temperature. The valence band spectra of hard X-ray photoelectron spectroscopy present the main contribution from Ga 4sp for crystalline film deposited at substrate temperature of 500 oC, while extra subgap states has been observed in amorphous film deposited at 300 oC. The oxygen vacancy and the extra subgap density of states are suggested to be the parts of origin of bandgap and CL spectra variations. The experimental data above yields a realistic picture of optical properties and band structure variation for the amorphous to crystalline transition of Ga2O3 films.

Crystal Structure of Chicken γS-Crystallin Reveals Lattice Contacts with Implications for Function in the Lens and the Evolution of the βγ-Crystallins.

Science.gov (United States)

Sagar, Vatsala; Chaturvedi, Sumit K; Schuck, Peter; Wistow, Graeme

2017-07-05

Previous attempts to crystallize mammalian γS-crystallin were unsuccessful. Native L16 chicken γS crystallized avidly while the Q16 mutant did not. The X-ray structure for chicken γS at 2.3 Å resolution shows the canonical structure of the superfamily plus a well-ordered N arm aligned with a β sheet of a neighboring N domain. L16 is also in a lattice contact, partially shielded from solvent. Unexpectedly, the major lattice contact matches a conserved interface (QR) in the multimeric β-crystallins. QR shows little conservation of residue contacts, except for one between symmetry-related tyrosines, but molecular dipoles for the proteins with QR show striking similarities while other γ-crystallins differ. In γS, QR has few hydrophobic contacts and features a thin layer of tightly bound water. The free energy of QR is slightly repulsive and analytical ultracentrifugation confirms no dimerization in solution. The lattice contacts suggest how γ-crystallins allow close packing without aggregation in the crowded environment of the lens. Published by Elsevier Ltd.

On real structures on rigid surfaces

International Nuclear Information System (INIS)

Kulikov, Vik S; Kharlamov, V M

2002-01-01

We construct examples of rigid surfaces (that is, surfaces whose deformation class consists of a unique surface) with a particular behaviour with respect to real structures. In one example the surface has no real structure. In another it has a unique real structure, which is not maximal with respect to the Smith-Thom inequality. These examples give negative answers to the following problems: the existence of real surfaces in each deformation class of complex surfaces, and the existence of maximal real surfaces in every complex deformation class that contains real surfaces. Moreover, we prove that there are no real surfaces among surfaces of general type with p g =q=0 and K 2 =9. These surfaces also provide new counterexamples to the 'Dif = Def' problem

Understanding changes in cellulose crystalline structure of lignocellulosic biomass during ionic liquid pretreatment by XRD.

Science.gov (United States)

Zhang, Jiafu; Wang, Yixun; Zhang, Liye; Zhang, Ruihong; Liu, Guangqing; Cheng, Gang

2014-01-01

X-ray diffraction (XRD) was used to understand the interactions of cellulose in lignocellulosic biomass with ionic liquids (ILs). The experiment was designed in such a way that the process of swelling and solubilization of crystalline cellulose in plant cell walls was followed by XRD. Three different feedstocks, switchgrass, corn stover and rice husk, were pretreated using 1-butyl-3-methylimidazolium acetate ([C4mim][OAc]) at temperatures of 50-130°C for 6h. At a 5 wt.% biomass loading, increasing pretreatment temperature led to a drop in biomass crystallinity index (CrI), which was due to swelling of crystalline cellulose. After most of the crystalline cellulose was swollen with IL molecules, a low-order structure was found in the pretreated samples. Upon further increasing temperature, cellulose II structure started to form in the pretreated biomass samples as a result of solubilization of cellulose in [C4mim][OAc] and subsequent regeneration. Copyright © 2013 Elsevier Ltd. All rights reserved.

On real structures on rigid surfaces

Energy Technology Data Exchange (ETDEWEB)

Kulikov, Vik S [Steklov Mathematical Institute, Russian Academy of Sciences (Russian Federation); Kharlamov, V M [Institut de Recherche Matematique Avanee Universite Louis Pasteur et CNRS 7 rue Rene Descartes (France)

2002-02-28

We construct examples of rigid surfaces (that is, surfaces whose deformation class consists of a unique surface) with a particular behaviour with respect to real structures. In one example the surface has no real structure. In another it has a unique real structure, which is not maximal with respect to the Smith-Thom inequality. These examples give negative answers to the following problems: the existence of real surfaces in each deformation class of complex surfaces, and the existence of maximal real surfaces in every complex deformation class that contains real surfaces. Moreover, we prove that there are no real surfaces among surfaces of general type with p{sub g}=q=0 and K{sup 2}=9. These surfaces also provide new counterexamples to the 'Dif = Def' problem.

Evolution of optical properties and band structure from amorphous to crystalline Ga2O3 films

Directory of Open Access Journals (Sweden)

Fabi Zhang

2018-04-01

Full Text Available The optical properties and band structure evolution from amorphous to crystalline Ga2O3 films was investigated in this work. Amorphous and crystalline Ga2O3 films were obtained by changing the growth substrate temperatures of pulsed laser deposition and the crystallinity increase with the rising of substrate temperature. The bandgap value and ultraviolet emission intensity of the films increase with the rising of crystallinity as observed by means of spectrophotometer and cathodoluminescence spectroscopy. Abrupt bandgap value and CL emission variations were observed when amorphous to crystalline transition took place. X-ray photoelectron spectroscopy core level spectra reveal that more oxygen vacancies and disorders exist in amorphous Ga2O3 film grown at lower substrate temperature. The valence band spectra of hard X-ray photoelectron spectroscopy present the main contribution from Ga 4sp for crystalline film deposited at substrate temperature of 500 oC, while extra subgap states has been observed in amorphous film deposited at 300 oC. The oxygen vacancy and the extra subgap density of states are suggested to be the parts of origin of bandgap and CL spectra variations. The experimental data above yields a realistic picture of optical properties and band structure variation for the amorphous to crystalline transition of Ga2O3 films.

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.

Computer simulation of the structure and properties of non-crystalline oxides

International Nuclear Information System (INIS)

Belashchenko, D.K.

1997-01-01

The structure data and some properties of non-crystalline (liquid and amorphous) oxide systems are discussed that were obtained using computer simulation methods. The simple oxide models, the homological serii of simple oxides, the models of binary and multi-components oxide systems are considered. Also the results of the simulation of ionic transfer in electric field are discussed. Ionic theory of oxides allows to predict the structure, thermodynamic and other properties for many oxide systems except the phosphate and vanadate oxides and some others

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

Structure of a Highly Active Cephalopod S-crystallin Mutant: New Molecular Evidence for Evolution from an Active Enzyme into Lens-Refractive Protein.

Science.gov (United States)

Tan, Wei-Hung; Cheng, Shu-Chun; Liu, Yu-Tung; Wu, Cheng-Guo; Lin, Min-Han; Chen, Chiao-Che; Lin, Chao-Hsiung; Chou, Chi-Yuan

2016-08-08

Crystallins are found widely in animal lenses and have important functions due to their refractive properties. In the coleoid cephalopods, a lens with a graded refractive index provides good vision and is required for survival. Cephalopod S-crystallin is thought to have evolved from glutathione S-transferase (GST) with various homologs differentially expressed in the lens. However, there is no direct structural information that helps to delineate the mechanisms by which S-crystallin could have evolved. Here we report the structural and biochemical characterization of novel S-crystallin-glutathione complex. The 2.35-Å crystal structure of a S-crystallin mutant from Octopus vulgaris reveals an active-site architecture that is different from that of GST. S-crystallin has a preference for glutathione binding, although almost lost its GST enzymatic activity. We've also identified four historical mutations that are able to produce a "GST-like" S-crystallin that has regained activity. This protein recapitulates the evolution of S-crystallin from GST. Protein stability studies suggest that S-crystallin is stabilized by glutathione binding to prevent its aggregation; this contrasts with GST-σ, which do not possess this protection. We suggest that a tradeoff between enzyme activity and the stability of the lens protein might have been one of the major driving force behind lens evolution.

Effect of Polyamide 6 on Crystalline Structure of Polymer in PVDF-Nanoclay Nanocomposite

Directory of Open Access Journals (Sweden)

Ali Akbar Yousefi

2012-12-01

Full Text Available The  effect  of  nanocaly  on  crystalline  structure  of  poly(vinylidene  fuoride, PVDF, and the morphology of the resulting nano-composite were investigated using  different  characterization  techniques.  The  presence  of  3wt%  Cloisite 30B in PVDF matrix results in 11 fold increase in the percentage of beta crystalline content of the polymer. This was found to be attributed to the epitaxial effect of the clay  surface. The  beta  crystalline  content  of  the  pure  polymer  (6% was  raised  to 68% in the composite. Addition of 5wt% polyamide 6 (PA6 improved dispersion of nanoclay which led to augmentation of the viscosity and displacement of the crossover frequency of the compatibilized composite towards lower frequencies. However, due to stronger affnity of the PA6 towards organically modifed clay the epitaxial effect of  the  clay on  crystalline  structure of PVDF was  totally  eliminated. The  reduction of  viscosity  in  incompatibilized  nanocomposite was  attributed  to  reduced  number of PVDF chain entanglements  in  the presence of nanoclay. Meanwhile,  increase  in viscosity and displacement of crossover  frequency  towards  lower  frequencies were attributed to formation of clay-PA nanoparticles and PVDF-polyamide 6 interactions. It is expected that the presence of polyamide 6 promotes the formation of oriented-beta crystals in PVDF, which in turn improves the piezoelectric properties of the polymer.

Proceedings of the international workshop on structural analyses bridging over between amorphous and crystalline materials (SABAC2008)

International Nuclear Information System (INIS)

Shamoto, Shin-ichi; Kodama, Katsuaki

2008-07-01

International workshop entitled 'Structural Analyses Bridging over between Amorphous and Crystalline Materials' (SABAC2008) was held on January 10 and 11, 2007 at Techno Community Square 'RICOTTI' in Tokai. Amorphous and crystalline materials are studied historically by various approaches. Recent industrial functional materials such as optical memory material, thermoelectric material, hydrogen storage material, and ionic conductor have intrinsic atomic disorders in their lattices. These local lattice disorders cannot be studied by conventional crystal structure analyses such as Rietveld analysis. Similar difficulty also exists in the structure analysis of nanomaterials. In the workshop, new approaches to the structural analysis on these materials were discussed. This report includes abstracts and materials of the presentations in the workshop. (author)

Dynamical structure analysis of crystalline-state reaction and elucidation of chemical reactivity in crystalline environment

International Nuclear Information System (INIS)

Ohashi, Yuji

2010-01-01

It was found that a chiral alkyl group bonded to the cobalt atom in a cobalt complex crystal was racemized with retention of the single crystal form on exposure to visible light. Such reactions, which are called crystalline-state reactions, have been found in a variety of cobalt complex crystals. The concept of reaction cavity was introduced to explain the reaction rate quantitatively and the chirality of the photo-product. The new diffractometers and detectors were made for rapid data collection. The reaction mechanism was also elucidated using neutron diffraction analysis. The unstable reaction intermediates were analyzed using cryo-trapping method. The excited-state structures were obtained at the equilibrium state between ground and excited states. (author)

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.

Vacuolar processing enzyme plays an essential role in the crystalline structure of glutelin in rice seed.

Science.gov (United States)

Kumamaru, Toshihiro; Uemura, Yuji; Inoue, Yoshimi; Takemoto, Yoko; Siddiqui, Sadar Uddin; Ogawa, Masahiro; Hara-Nishimura, Ikuko; Satoh, Hikaru

2010-01-01

To identify the function of genes that regulate the processing of proglutelin, we performed an analysis of glup3 mutants, which accumulates excess amounts of proglutelin and lack the vacuolar processing enzyme (VPE). VPE activity in developing seeds from glup3 lines was reduced remarkably compared with the wild type. DNA sequencing of the VPE gene in glup3 mutants revealed either amino acid substitutions or the appearance of a stop codon within the coding region. Microscopic observations showed that alpha-globulin and proglutelin were distributed homogeneously within glup3 protein storage vacuoles (PSVs), and that glup3 PSVs lacked the crystalline lattice structure typical of wild-type PSVs. This suggests that the processing of proglutelin by VPE in rice is essential for proper PSV structure and compartmentalization of storage proteins. Growth retardation in glup3 seedlings was also observed, indicating that the processing of proglutelin influences early seedling development. These findings indicate that storage of glutelin in its mature form as a crystalline structure in PSVs is required for the rapid use of glutelin as a source of amino acids during early seedling development. In conclusion, VPE plays an important role in the formation of protein crystalline structures in PSVs.

Soliton structure in crystalline acetanilide

International Nuclear Information System (INIS)

Eilbeck, J.C.; Lomdahl, P.S.; Scott, A.C.

1984-01-01

The theory of self-trapping of amide I vibrational energy in crystalline acetanilide is studied in detail. A spectrum of stationary, self-trapped (soliton) solutions is determined and tested for dynamic stability. Only those solutions for which the amide I energy is concentrated near a single molecule were found to be stable. Exciton modes were found to be unstable to decay into solitons

Formation process of hierarchical structures in crystalline polymers as analyzed by simultaneous measurements of small-angle X-ray scattering and other techniques

International Nuclear Information System (INIS)

Yamamoto, Katsuhiro; Sakurai, Shinichi

2006-01-01

Crystalline polymers spontaneously form hierarchical structures, which provide us a potential use as a specialty material. Recently, not only a crystalline homopolymer but also semi-crystalline block copolymers and crystalline polymer blends have been attracting interests for the study of a hierarchical structure. In order to analyze such hierarchical structures in a variety of length scales, a simultaneous measurement of small-(SAXS) and wide-angle (WAXS) X-ray scattering with differential scanning calorimetry (DSC), or with small-angle light scattering (Hv-SALS) are most suitable. In this review, we show some examples of the simultaneous measurements. With DSC, exothermic heat flow can be simultaneously measured with X-ray scattering. On the other hand, with Hv-SALS it is possible to analyze evolution of a spherulitic structure, which is the structure at the highest rank in the hierarchy. For both cases, one can realize that it is impossible to obtain good statistics for SAXS and WAXS measurements without synchrotron radiations. (author)

Effect of the processing parameters on the crystalline structure of lanthanide ortho tantalates

Energy Technology Data Exchange (ETDEWEB)

Siqueira, Kisla P.F.; Dias, Anderson, E-mail: anderson_dias@iceb.ufop.br [Universidade Federal de Ouro Preto (UFOP), MG (Brazil). Dept. de Quimica

2014-08-15

The influence of the synthesis parameters on the crystalline structures of ortho tantalate ceramics has been investigated. Powder materials were prepared by the solid-state reaction route. X-ray diffraction and Raman scattering measurements were employed to investigate the crystal structure of the produced materials. In this work, we analyzed three different examples in which the temperature and time were decisive on the final crystal structure of LnTaO{sub 4} compounds besides the lanthanide ionic size. Firstly, the thermal evolution for NdTaO{sub 4} samples showed that mixed crystal phases are formed up to 1100 °C, while well-crystallized M-NdTaO{sub 4} (I2/a) materials are obtained in temperatures higher than 1200 °C. Also, the influence of the synthesis time was investigated for the LaTaO{sub 4} ceramics: it was necessary 14 h to obtain samples in the P2{sub 1}/c structure. Finally, two polymorphs could be obtained for the DyTaO{sub 4} ceramics: P2/a and I2/a space groups were obtained at 1300 °C and 1500 °C, respectively. This study indicated that the temperature, time and lanthanide size are directly correlated with the crystalline arrangement of the ortho tantalate materials.(author)

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...

Intestinal mucus and juice glycoproteins have a liquid crystalline structure

International Nuclear Information System (INIS)

Denisova, E.A.; Lazarev, P.I.; Vazina, A.A.; Zheleznaya, L.A.

1985-01-01

X-ray diffraction patterns have been obtained from the following components of canine gastrointestinal tract: (1) native small intestine mucus layer; (2) the precipitate of the flocks formed in the duodenal juice with decreasing pH; (3) concentrated solutions of glycoproteins isolated from the duodenal juice. The X-ray patterns consist of a large number of sharp reflections of spacings between about 100 and 4 A. Some reflections are common for all components studied. All the patterns are interpreted as arising from the glycoprotein molecules ordered into a liquid crystalline structure. (author)

Circuit design techniques for non-crystalline semiconductors

CERN Document Server

Sambandan, Sanjiv

2012-01-01

Despite significant progress in materials and fabrication technologies related to non-crystalline semiconductors, fundamental drawbacks continue to limit real-world application of these devices in electronic circuits. To help readers deal with problems such as low mobility and intrinsic time variant behavior, Circuit Design Techniques for Non-Crystalline Semiconductors outlines a systematic design approach, including circuit theory, enabling users to synthesize circuits without worrying about the details of device physics. This book: Offers examples of how self-assembly can be used as a powerf

Structural and spectroscopic features of proton hydrates in the crystalline state. Solid-state DFT study on HCl and triflic acid hydrates

Science.gov (United States)

Vener, M. V.; Chernyshov, I. Yu.; Rykounov, A. A.; Filarowski, A.

2018-01-01

Crystalline HCl and CF3SO3H hydrates serve as excellent model systems for protonated water and perfluorosulphonic acid membranes, respectively. They contain characteristic H3O+, H5О+2, H7О+3 and H3O+(H2O)3 (the Eigen cation) structures. The properties of these cations in the crystalline hydrates of strong monobasic acids are studied by solid-state density function theory (DFT). Simultaneous consideration of the HCl and CF3SO3H hydrates reveals the impact of the size of a counter ion and the crystalline environment on the structure and infrared active bands of the simplest proton hydrates. The H7O+3 structure is very sensitive to the size of the counter ion and symmetry of the local environment. This makes it virtually impossible to identify the specific features of H7O+3 in molecular crystals. The H3O+ ion can be treated as the Eigen-like cation in the crystalline state. Structural, infrared and electron-density features of H5О+2 and the Eigen cation are virtually insensitive to the size of the counter ion and the symmetry of the local crystalline environment. These cations can be considered as the simplest stable proton hydrates in the condensed phase. Finally, the influence of the Grimme correction on the structure and harmonic frequencies of the molecular crystals with short (strong) intermolecular O-H···O bonds is discussed.

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

Observation of crystalline changes of titanium dioxide during lithium insertion by visible spectrum analysis.

Science.gov (United States)

Nam, Inho; Park, Jongseok; Park, Soomin; Bae, Seongjun; Yoo, Young Geun; Han, Jeong Woo; Yi, Jongheop

2017-05-24

Real-time analysis of changes in the atomic environment of materials is a cutting edge technology that is being used to explain reaction dynamics in many fields of science. Previously, this kind of analysis was only possible using heavy nucleonic equipment such as XANES and EXAFS, or Raman spectroscopy on a moderate scale. Here, a new methodology is described that can be used to track changes in crystalline developments during complex Li insertion reactions via the observation of structural color. To be specific, the changes in atomic crystalline and nanostructure are shown during Li insertion in a complex TiO 2 polymorph. Structural color corresponds to the refractive indices of materials originating from their atomic bonding nature and precise wave interferences in accordance with their nanostructure. Therefore, this new analysis simultaneously reveals changes in the nanostructure as well as changes in the atomic bonding nature of materials.

Direct assembly of in situ templated CdSe quantum dots via crystalline lamellae structure of polyamide 66

Energy Technology Data Exchange (ETDEWEB)

Cheval, Nicolas; Brooks, Richard [University of Nottingham, Division of Materials, Mechanics and Structures, Faculty of Engineering (United Kingdom); Fahmi, Amir, E-mail: Amir.Fahmi@hochschule-Rhein-waal.de [Rhein-Waal University of Applied Sciences, Faculty of Technology and Bionics (Germany)

2012-03-15

A simple concept is proposed for templating in situ synthesised CdSe quantum dots (QDs) into an organised nano-pattern using the crystalline lamellae structure of polyamide 66 (PA66). The morphology obtained for PA66 and the hybrid material on Si/SiO{sub x} solid substrate was characterised by means of atomic force microscope. Controlling the PA66 concentration in solution and the organic-inorganic interactions are found to be the keys factors to direct the assembly of CdSe QDs along the PA66 linear crystalline structure. This simple approach could be opened a new avenue for a large spectrum of innovative high-tech applications.

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.

Investigation of electrochemical behaviour and structure of oxide films on Ni60Nb40 alloy in amorphous and crystalline states

International Nuclear Information System (INIS)

Tomashov, N.D.; Skvortsova, I.B.; Gorodetskij, A.E.; Bogomolov, D.B.

1987-01-01

Electrochemical properties of Ni 60 Nb 40 alloy in amorphous and crystalline states as well as structure of oxide films forming during anode polarization in electrolytes on the surface of this alloy in both its states are investigated. It is stated that increased passive ability of Ni 60 Nb 40 alloys in amorphous state and high efficiency of chlorine evolution (2 n NaCl+HCl up to pH=0) anode process in comparison with crystalline state are defined by increased homogeneity and uniformity of passive films forming on amorphous alloy and their increased electron conductivity, that is in direct dependence on different structure of passive films forming on alloys in amorphous and crystalline states

Structure of 1,5-Anhydro-D-Fructose: X-ray Analysis of Crystalline Acetylated Dimeric Forms

DEFF Research Database (Denmark)

Lundt, Inge; Andersen, Søren Møller; Marcussen, Jan

1998-01-01

Acetylation of 1,5-anhydro-D-fructose under acidic conditions gave two crystalline acetylated dimeric forms, which by X-ray analysis were shown to be diastereomeric spiroketals formed between C-2 and C-2´/C-3´. The structures of the compounds differed only at the configuration at C-2. Acetylation...... or benzoylation of 1,5-anhydro-D-fructose in pyridine yielded 3,6-di-O-acetyl-1,5-anhydro-4-deoxy-D-glycero-hex-3-enos-2-ulopyra -nose or crystalline 1,5-anhydro-3,6-di-O-benzoyl-4-deoxy-D-glycero-hex-3-enos-2-ulo-py ranose....

Liquid crystalline tactoids: ordered structure, defective coalescence and evolution in confined geometries

Science.gov (United States)

Wang, Pei-Xi; MacLachlan, Mark J.

2017-12-01

Tactoids are liquid crystalline microdroplets that spontaneously nucleate from isotropic dispersions, and transform into macroscopic anisotropic phases. These intermediate structures have been found in a range of molecular, polymeric and colloidal liquid crystals. Typically only studied by polarized optical microscopy, these ordered but easily deformable microdroplets are now emerging as interesting components for structural investigations and developing new materials. In this review, we highlight the structure, property and transformation of tactoids in different compositions, but especially cellulose nanocrystals. We have selected references that illustrate the diversity and most exciting developments in tactoid research, while capturing the historical development of this field. This article is part of a discussion meeting issue `New horizons for cellulose nanotechnology'.

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.

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

Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets and their gas sensing properties to volatile organic compounds (VOCs)

Energy Technology Data Exchange (ETDEWEB)

Meng, Fanli, E-mail: flmeng@iim.ac.cn [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Department of Materials Science and Engineering, University of California, Los Angeles, CA 90095 (United States); Hou, Nannan [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Department of Chemistry, University of Science and Technology of China, Hefei 230026 (China); Ge, Sheng [Department of Mechanical and Automotive Engineering, Anhui Polytechnic University, Wuhu 241000 (China); Sun, Bai [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Jin, Zhen, E-mail: zjin@iim.ac.cn [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Shen, Wei; Kong, Lingtao; Guo, Zheng [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China); Sun, Yufeng, E-mail: sunyufeng118@126.com [Department of Mechanical and Automotive Engineering, Anhui Polytechnic University, Wuhu 241000 (China); Wu, Hao; Wang, Chen [Department of Materials Science and Engineering, University of California, Los Angeles, CA 90095 (United States); Li, Minqiang [Research Center for Biomimetic Functional Materials and Sensing Devices, Institute of Intelligent Machines, Chinese Academy of Sciences, Hefei 230031 (China)

2015-03-25

Highlights: • Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets were synthesized. • The flower-like hierarchical structured ZnO exhibited higher response and shorter response and recovery times. • The sensing mechanism of the flower-like hierarchical has been systematically analyzed. - Abstract: Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets (FHPSCZNs) were synthesized by a one-pot wet-chemical method followed by an annealing treatment, which combined the advantages between flower-like hierarchical structure and porous single-crystalline structure. XRD, SEM and HRTEM were used to characterize the synthesized FHPSCZN samples. The sensing properties of the FHPSCZN sensor were also investigated by comparing with ZnO powder sensor, which exhibited higher response and shorter response and recovery times. The sensing mechanism of the FHPSCZN sensor has been further analyzed from the aspects of electronic transport and gas diffusion.

Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets and their gas sensing properties to volatile organic compounds (VOCs)

International Nuclear Information System (INIS)

Meng, Fanli; Hou, Nannan; Ge, Sheng; Sun, Bai; Jin, Zhen; Shen, Wei; Kong, Lingtao; Guo, Zheng; Sun, Yufeng; Wu, Hao; Wang, Chen; Li, Minqiang

2015-01-01

Highlights: • Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets were synthesized. • The flower-like hierarchical structured ZnO exhibited higher response and shorter response and recovery times. • The sensing mechanism of the flower-like hierarchical has been systematically analyzed. - Abstract: Flower-like hierarchical structures consisting of porous single-crystalline ZnO nanosheets (FHPSCZNs) were synthesized by a one-pot wet-chemical method followed by an annealing treatment, which combined the advantages between flower-like hierarchical structure and porous single-crystalline structure. XRD, SEM and HRTEM were used to characterize the synthesized FHPSCZN samples. The sensing properties of the FHPSCZN sensor were also investigated by comparing with ZnO powder sensor, which exhibited higher response and shorter response and recovery times. The sensing mechanism of the FHPSCZN sensor has been further analyzed from the aspects of electronic transport and gas diffusion

Interlayer exchange coupling, crystalline and magnetic structure in Fe/CsCl-FeSi multilayers grown by molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Dekoster, J.; Degroote, S.; Meersschaut, J.; Moons, R.; Vantomme, A. [K.U. Leuven, Instituut voor Kern- en Stralingsfysica (Belgium); Bottyan, L.; Deak, L.; Szilagyi, E.; Nagy, D.L. [KFKI Research Institute for Particle and Nuclear Physics (Hungary); Baron, A.Q.R. [European Synchrotron Radiation Facility (France); Langouche, G. [K.U. Leuven, Instituut voor Kern- en Stralingsfysica (Belgium)

1999-09-15

Crystalline and magnetic structure as well as the interlayer exchange coupling in MBE grown Fe/FeSi multilayers are investigated. From conversion electron Moessbauer spectroscopy and ion beam channeling measurements the spacer FeSi material is found to be stabilized in a crystalline metastable metallic FeSi phase with the CsCl structure. Strong non-oscillatory interlayer exchange coupling is identified with magnetometry and synchrotron Moessbauer reflectometry. From the fits of the time spectrum and the resonant {phi}-{phi} scans a model for the sublayer magnetization of the multilayer is deduced.

Real Time Structured Light and Applications

DEFF Research Database (Denmark)

Wilm, Jakob

Structured light scanning is a versatile method for 3D shape acquisition. While much faster than most competing measurement techniques, most high-end structured light scans still take in the order of seconds to complete. Low-cost sensors such as Microsoft Kinect and time of flight cameras have made......, increased processing power, and methods presented in this thesis, it is possible to perform structured light scans in real time with 20 depth measurements per second. This offers new opportunities for studying dynamic scenes, quality control, human-computer interaction and more. This thesis discusses...... several aspects of real time structured light systems and presents contributions within calibration, scene coding and motion correction aspects. The problem of reliable and fast calibration of such systems is addressed with a novel calibration scheme utilising radial basis functions [Contribution B...

The Influence of Surface Anisotropy Crystalline Structure on Wetting of Sapphire by Molten Aluminum

Science.gov (United States)

Aguilar-Santillan, Joaquin

2013-05-01

The wetting of sapphire by molten aluminum was investigated by the sessile drop technique from 1073 K to 1473 K (800 °C to 1200 °C) at PO2 <10-15 Pa under Ar atmosphere. This study focuses on sapphire crystalline structure and its principle to the interface. The planes " a" and " b" are oxygen terminated structures and wet more by Al, whereas the " c" plane is an aluminum terminated structure. A wetting transition at 1273 K (1000 °C) was obtained and a solid surface tension proves the capillarity trends of the couple.

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

Luminescence and host lattice structure of crystalline micro and nanoparticles co-doped with lanthanide ions

International Nuclear Information System (INIS)

Zurba, Nadia Khaled; Ferreira, Jose Maria da Fonte

2012-01-01

This article reports the investigation of crystalline micro and nanoparticles codoped with lanthanide ions, aiming at correlate their host lattice structure and chemical composition to the luminescence features. For this purpose, five phosphors were characterized by X-ray diffraction (XRD), scanning electron microscopy coupled to energy dispersive X-ray (EDX) spectroscopy, and photoluminescence (PL) spectroscopy, namely performed by their chromatic coordinates, radiance, luminance and PL emission spectra. This type of investigation concerning the optical characterization of luminescent crystalline micro and nanoparticles doped with lanthanide ions might be useful for scientific and practical applications, such as in light-emitting devices, luminescent paintings, ceramics, sensors, in nanoscience and nanotechnology. (author)

Novel light trapping scheme for thin crystalline cells utilizing deep structures on both wafer sides [solar cells

DEFF Research Database (Denmark)

Jørgensen, Anders Michael; Clausen, Thomas; Leistiko, Otto

1998-01-01

62 times the average thickness. The structure consists of deep (-200 μm) inverted pyramids on the front side and deep (-200 μm) truncated pyramids with eight sides on the back. The structure is realized in crystalline silicon by wet chemical etching using potassium hydroxide (KOH) and isopropanol...

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)

Electronic structure and electric fields gradients of crystalline Sn(II) and Sn(IV) compounds

International Nuclear Information System (INIS)

Terra, J.; Guenzburger, D.

1991-01-01

The electronic structures of clusters representing crystalline compounds of Sn(II) and Sn(IV) were investigated, employing the first-principles Discrete Variational method and Local Density theory. Densities of states and related parameters were obtained and compared with experimental measurements and with results from band structure calculations. Effects of cluster size and of cluster truncated bonds are discussed. Electric field gradients at the Sn nucleus were calculated; results are analysed in terms of charge distribution and chemical bonding in the crystals. (author)

Anisotropy-based crystalline oxide-on-semiconductor material

Science.gov (United States)

McKee, Rodney Allen; Walker, Frederick Joseph

2000-01-01

A semiconductor structure and device for use in a semiconductor application utilizes a substrate of semiconductor-based material, such as silicon, and a thin film of a crystalline oxide whose unit cells are capable of exhibiting anisotropic behavior overlying the substrate surface. Within the structure, the unit cells of the crystalline oxide are exposed to an in-plane stain which influences the geometric shape of the unit cells and thereby arranges a directional-dependent quality of the unit cells in a predisposed orientation relative to the substrate. This predisposition of the directional-dependent quality of the unit cells enables the device to take beneficial advantage of characteristics of the structure during operation. For example, in the instance in which the crystalline oxide of the structure is a perovskite, a spinel or an oxide of similarly-related cubic structure, the structure can, within an appropriate semiconductor device, exhibit ferroelectric, piezoelectric, pyroelectric, electro-optic, ferromagnetic, antiferromagnetic, magneto-optic or large dielectric properties that synergistically couple to the underlying semiconductor substrate.

Ripple structures on surfaces and underlying crystalline layers in ion beam irradiated Si wafers

Energy Technology Data Exchange (ETDEWEB)

Grenzer, J.; Muecklich, A. [Forschungszentrum Rossendorf, Institut fuer Ionenstrahlphysik und Materialforschung, Dresden (Germany); Biermanns, A.; Grigorian, S.A.; Pietsch, U. [Institute of Physics, University of Siegen (Germany)

2009-08-15

We report on the formation of ion beam induced ripples in Si(001) wafers when bombarded with Ar+ ions at an energy of 60 keV. A set of samples varying incidence and azimuthal angles of the ion beam with respect to the crystalline surface orientation was studied by two complementary near surface sensitive techniques, namely atomic force microscopy and depth-resolved X-ray grazing incidence diffraction (GID). Additionally, cross-section TEM investigations were carried out. The ripple-like structures are formed at the sample surface as well as at the buried amorphous-crystalline interface. Best quality of the ripple pattern was found when the irradiating ion beam was aligned parallel to the (111) planes. The quality decreases rapidly if the direction of the ion beam deviates from (111). (Abstract Copyright [2009], Wiley Periodicals, Inc.)

C-Ni-Pd and CNT-Ni-Pd film's molecular and crystalline structure investigations by FTIR spectroscopy and XRD diffraction

Science.gov (United States)

Stepińska, Izabela; Czerwosz, ElŻbieta; Diduszko, Ryszard; Kozłowski, Mirosław; Wronka, Halina

2017-08-01

In this work molecular and crystalline structure of new type of nanocomposite films were investigated. These films compose of CNT decorated with palladium nanograins. They were prepared on a base of C-Ni films modified in CVD process. C-Ni nanocomposite films were obtained by PVD process and their modification by CVD leads to a growth of CNT film. CNTs-Ni or C-Ni films were treated with additional PVD process with palladium. Nickel and palladium acetate and fulleren C60 are precursors of films in PVD process. FTIR spectroscopy was used to studied the molecular structure of film in every stage of preparation . The crystalline structure of these films was studied by X-ray diffraction. SEM (scanning electron microscopy) was applied to investigate film's surface topography.

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

Plantain starch granules morphology, crystallinity, structure transition, and size evolution upon acid hydrolysis.

Science.gov (United States)

Hernández-Jaimes, C; Bello-Pérez, L A; Vernon-Carter, E J; Alvarez-Ramirez, J

2013-06-05

Plantain native starch was hydrolysed with sulphuric acid for twenty days. Hydrolysis kinetics was described by a logistic function, with a zero-order rate during the first seven days, followed by a slower kinetics dynamics at longer times. X-ray diffraction results revealed a that gradual increase in crystallinity occurred during the first seven days, followed by a decrease to values similar to those found in the native starch. Differential scanning calorimetry analysis suggested a sharp structure transition by the seventh day probably due to a molecular rearrangement of the starch blocklets and inhomogeneous erosion of the amorphous regions and semi crystalline lamellae. Scanning electron micrographs showed that starch granules morphology was continually degraded from an initial oval-like shape to irregular shapes due to aggregation effects. Granule size distribution broadened as hydrolysis time proceeded probably due to fragmentation and agglomeration phenomena of the hydrolysed starch granules. Copyright © 2013 Elsevier Ltd. All rights reserved.

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.

Effects of crystalline structure in the transmission of ions through thin foils

International Nuclear Information System (INIS)

Archubi, Claudio

2005-01-01

Two fundamental aspects of ion transmission through thin foils are analyzed in this thesis.1) Energy loss.2) Angular distribution.The subject is studied in three different approaches: Theoretically, experimentally and by numerical simulations.In the theoretical approach, the models for the calculation of the energy loss and angular distribution are discussed.They are showed to be unsatisfactory to explain the effects of crystalline structure at low energies.A model is developed to estimate the angular dispersion due to the elastic scattering between the projectile and the target electrons. Simultaneously, angular distribution and energy loss measurements have been performed bombarding polycrystalline and monocrystalline gold and polycrystalline aluminum targets with protons and helium ions with energies in the range of 4-10 keV, together with a detailed study of the foils by electron transmission microscopy techniques.The experimental results are compared with the results of a numerical simulation code, modified and extended in the scope of this thesis.The results show an important influence of crystalline structure and the different targets defects in the angular distribution.This influence is much lower in the case of the angular behaviour of the energy loss (being almost negligible in the case of protons).The most relevant characteristic of the angular behaviour of the energy loss in the case of helium ions is that it is necessary to assume in the simulation method an impact parameter dependence of the stopping coefficient to obtain an agreement between simulation and experimental results [es

Formation of a new benzene-ethane co-crystalline structure under cryogenic conditions.

Science.gov (United States)

Vu, Tuan Hoang; Cable, Morgan L; Choukroun, Mathieu; Hodyss, Robert; Beauchamp, Patricia

2014-06-12

We report the first experimental finding of a solid molecular complex between benzene and ethane, two small apolar hydrocarbons, at atmospheric pressure and cryogenic temperatures. Considerable amounts of ethane are found to be incorporated inside the benzene lattice upon the addition of liquid ethane onto solid benzene at 90-150 K, resulting in formation of a distinctive co-crystalline structure that can be detected via micro-Raman spectroscopy. Two new features characteristic of these co-crystals are observed in the Raman spectra at 2873 and 1455 cm(-1), which are red-shifted by 12 cm(-1) from the υ1 (a1g) and υ11 (eg) stretching modes of liquid ethane, respectively. Analysis of benzene and ethane vibrational bands combined with quantum mechanical modeling of isolated molecular dimers reveal an interaction between the aromatic ring of benzene and the hydrogen atoms of ethane in a C-H···π fashion. The most favored configuration for the benzene-ethane dimer is the monodentate-contact structure, with a calculated interaction energy of 9.33 kJ/mol and an equilibrium bonding distance of 2.66 Å. These parameters are comparable to those for a T-shaped co-crystalline complex between benzene and acetylene that has been previously reported in the literature. These results are relevant for understanding the hydrocarbon cycle of Titan, where benzene and similar organics may act as potential hydrocarbon reservoirs due to this incorporation mechanism.

Crystalline structures and crystallization behaviors of poly(L-lactide) in poly(L-lactide)/graphene nanosheet composites

DEFF Research Database (Denmark)

Li, Jingqing; Xiao, Peitao; Li, Hongfei

2015-01-01

Poly(L-lactide) (PLLA)/graphene nanosheet (GNS) composites and pure PLLA were prepared by the solution blending method. Crystalline structures and crystallization behaviors of PLLA in the composite were investigated by XRD, POM, SAXS, and DSC. It was found that α′ form PLLA formation seemed...

Electronic, structural, and optical properties of crystalline yttria

International Nuclear Information System (INIS)

Xu, Y.; Gu, Z.; Ching, W.Y.

1997-01-01

The electronic structure of crystalline Y 2 O 3 is investigated by first-principles calculations within the local-density approximation (LDA) of the density-functional theory. Results are presented for the band structure, the total density of states (DOS), the atom- and orbital-resolved partial DOS, effective charges, bond order, and charge-density distributions. Partial covalent character in the Y-O bonding is shown, and the nonequivalency of the two Y sites is demonstrated. The calculated electronic structure is compared with a variety of available experimental data. The total energy of the crystal is calculated as a function of crystal volume. A bulk modulus B of 183 Gpa and a pressure coefficient B ' of 4.01 are obtained, which are in good agreement with compression data. An LDA band gap of 4.54 eV at Γ is obtained which increases with pressure at a rate of dE g /dP=0.012eV/Gpa at the equilibrium volume. Also investigated are the optical properties of Y 2 O 3 up to a photon energy of 20 eV. The calculated complex dielectric function and electron-energy-loss function are in good agreement with experimental data. A static dielectric constant of var-epsilon(0)=3.20 is obtained. It is also found that the bottom of the conduction band consists of a single band, and direct optical transition at Γ between the top of the valence band and the bottom of the conduction band may be symmetry forbidden. copyright 1997 The American Physical Society

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...

Diffraction enhanced X-ray imaging of mammals crystalline lens

International Nuclear Information System (INIS)

Antunes, A.; Hoennicke, M.G.; Safatle, A.M.V.; Cusatis, C.; Moraes Barros, P.S.; Morelhao, S.L.

2005-01-01

Crystalline lenses are transparent biological materials where the organization of the lens fibers can also be affected by changes at molecular level, and therefore the structure and morphology of the tissue can be correlated to the loss of transparency of the lens. In this work, internal structure of mammal lenses regarding the long-range ordering of the fibers are investigated by diffraction enhanced X-ray imaging (DEI) radiography. Moreover, DEI and absorption X-ray synchrotron radiographs for healthy and cataractous crystalline lenses are compared. Significant differences in healthy and cataractous crystalline lenses are observed

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

Local structure and disorder in crystalline Pb9Al8O21

International Nuclear Information System (INIS)

Hannon, Alex C.; Barney, Emma R.; Holland, Diane; Knight, Kevin S.

2008-01-01

Crystalline Pb 9 Al 8 O 21 is a model compound for the structure of non-linear optical glasses containing lone-pair ions, and its structure has been investigated by neutron powder diffraction and total scattering, and 27 Al magic angle spinning NMR. Rietveld analysis (space group Pa3-bar (No. 205), a=13.25221(4) A) shows that some of the Pb and O sites have partial occupancies, due to lead volatilisation during sample preparation, and the non-stoichiometric sample composition is Pb 9-δ Al 8 O 21-δ with δ=0.54. The NMR measurements show evidence for a correlation between the chemical shift and the variance of the bond angles at the aluminium sites. The neutron total correlation function shows that the true average Al-O bond length is 0.8% longer than the apparent bond length determined by Rietveld refinement. The thermal variation in bond length is much smaller than the thermal variation in longer interatomic distances determined by Rietveld refinement. The total correlation function is consistent with an interpretation in which AlO 3 groups with an Al-O bond length of 1.651 A occur as a result of the oxygen vacancies in the structure. The width of the tetrahedral Al-O peak in the correlation function for the crystal is very similar to that for lead aluminate glass, indicating that the extent of static disorder is very similar in the two phases. - Graphical abstract: Combined neutron powder diffraction and total scattering, and 27 Al NMR on crystalline Pb 9 Al 8 O 21 shows it to be a non-stoichiometric compound with vacancies due to PbO volatilisation. A detailed consideration of the thermal and static disorder is given, showing that glass and crystal phases have very similar disorder at short range

Crystalline structure of the marketed form of Rifampicin: a case of conformational and charge transfer polymorphism

Science.gov (United States)

de Pinho Pessoa Nogueira, Luciana; de Oliveira, Yara S.; de C. Fonseca, Jéssica; Costa, Wendell S.; Raffin, Fernanda N.; Ellena, Javier; Ayala, Alejandro Pedro

2018-03-01

Rifampicin is a semi-synthetic drug derived from rifamycin B, and currently integrates the fixed dose combination tablet formulations used in the treatment of tuberculosis. It is also used in the leprosy polychemotherapy and prophylaxis, which are diseases classified as neglected according to the World Health Organization. Rifampicin is a polymorphic drug and its desirable polymorphic form is labeled as II, being the main goal of this study the elucidation of its crystalline structure. Polymorph II is characterized by two molecules with different conformations in the asymmetric unit and the following lattice parameters: a = 14.0760 (10) Å, b = 17.5450 (10) Å, c = 17.5270 (10) Å, β = 92.15°. Differently to the previously reported structures, a charge transference from the hydroxyl group of the naphthoquinone of one conformer to the nitrogen of the piperazine group of the second conformer was observed. The relevance of the knowledge of this crystalline structure, which is the preferred polymorph for pharmaceutical formulations, was evidenced by analyzing raw materials with polymorphic mixtures. Thus, the results presented in this contribution close an old information gap allowing the complete solid-state characterization of rifampicin.

Extended x-ray absorption fine structure studies of amorphous and crystalline Si-Ge alloys with synchrotron radiation

International Nuclear Information System (INIS)

Kajiyama, Hiroshi

1988-01-01

Extended X-ray absorption fine structure (EXAFS) is a powerful probe to study the local structure around the atom of a specific element. In conventional EXAFS analysis, it has been known that reliable structures are obtained with the different values of absorption edge energy for different neighboring atoms. It is shown in this study that the Ge-K edge EXAFS resulting from the Ge-Ge and Ge-Si bonds in hydrogenated amorphous Si-Ge alloys was able to be excellently explained by a unique absorption edge energy value, provided that a newly developed formula based on the spherical wave function of photoelectrons is used. The microscopic structures of hydrogenated amorphous Si-Ge alloys and crystalline Si-Ge alloys have been determined using the EXAFS method. The lengths of Ge-Ge and Ge-Si bonds were constant throughout their entire composition range, and it was found that the length of Ge-Si bond was close to the average value of the bond lengths of both Ge and Si crystals. In crystalline Si-Ge alloys, it has been shown that the bonds relaxed completely, while the lattice constant varied monotonously with the composition. (Kako, I.)

Crystalline beam ground state

International Nuclear Information System (INIS)

Wei, Jie; Li, Xiao-Ping

1993-01-01

In order to employ molecular dynamics (MD) methods, commonly used in condensed matter physics, we have derived the equations of motion for a beam of charged particles in the rotating rest frame of the reference particle. We include in the formalism that the particles are confined by the guiding and focusing magnetic fields, and that they are confined in a conducting vacuum pipe while interacting with each other via a Coulomb force. Numerical simulations using MD methods has been performed to obtain the equilibrium crystalline beam structure. The effect of the shearing force, centrifugal force, and azimuthal variation of the focusing strength are investigated. It is found that a constant gradient storage ring can not give a crystalline beam, but that an alternating-gradient (AG) structure can. In such a machine the ground state is, except for one-dimensional (1-D) crystals, time dependent. The ground state is a zero entropy state, despite the time-dependent, periodic variation of the focusing force. The nature of the ground state, similar to that found by Schiffer et al. depends upon the density and the relative focusing strengths in the transverse directions. At low density, the crystal is 1-D. As the density increases, it transforms into various kinds of 2-D and 3-D crystals. If the energy of the beam is higher than the transition energy of the machine, the crystalline structure can not be formed for lack of radial focusing

Electro-purification of carbon nanotube networks without damaging the assembly structure and crystallinity

Science.gov (United States)

Yang, Xueqin; Yang, Ming; Zhang, Huichao; Zhao, Jingna; Zhang, Xiaohua; Li, Qingwen

2018-06-01

Fe-containing nanoparticles are of a high mass fraction in the as-grown carbon nanotube (CNT) network. By controlling the S-to-Fe atom ratio in the growth feedstock and introducing water as a weak oxidant, highly crystalline few-walled CNT network can be obtained, with a mass fraction of over 20 wt% for the Fe-containing nanoparticles. We report here an electron-oxidation-based purification method to efficiently remove the Fe-containing nanoparticles without inducing clear damage to either the assembly structure or the tube crystallinity. The purification could increase the ratio between Raman D and G peak intensities slightly from 0.08 to 0.12, decrease the specific conductivity from 0.31 to 0.24 S m2/g and the Fe content from >20 wt% to ≈1 wt%, and modify the capacitance just by about 13 F/g. All these indicate that the CNT network was well maintained by such gentle electro-oxidation-based purification. In addition, the purified CNT network can exhibit advantages in mechanical and electrical applications.

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.

Electronic structure of indium-tungsten-oxide alloys and their energy band alignment at the heterojunction to crystalline silicon

Science.gov (United States)

Menzel, Dorothee; Mews, Mathias; Rech, Bernd; Korte, Lars

2018-01-01

The electronic structure of thermally co-evaporated indium-tungsten-oxide films is investigated. The stoichiometry is varied from pure tungsten oxide to pure indium oxide, and the band alignment at the indium-tungsten-oxide/crystalline silicon heterointerface is monitored. Using in-system photoelectron spectroscopy, optical spectroscopy, and surface photovoltage measurements, we show that the work function of indium-tungsten-oxide continuously decreases from 6.3 eV for tungsten oxide to 4.3 eV for indium oxide, with a concomitant decrease in the band bending at the hetero interface to crystalline silicon than indium oxide.

SLStudio: Open-source framework for real-time structured light

DEFF Research Database (Denmark)

Wilm, Jakob; Olesen, Oline Vinter; Larsen, Rasmus

2014-01-01

that this software makes real-time 3D scene capture more widely accessible and serves as a foundation for new structured light scanners operating in real-time, e.g. 20 depth images per second and more. The use cases for such scanners are plentyfull, however due to the computational constraints, all public......An open-source framework for real-time structured light is presented. It is called “SLStudio”, and enables real-time capture of metric depth images. The framework is modular, and extensible to support new algorithms for scene encoding/decoding, triangulation, and aquisition hardware. It is the aim...... implementations so far are limited to offline processing. With “SLStudio”, we are making a platform available which enables researchers from many different fields to build application specific real time 3D scanners. The software is hosted at http://compute.dtu.dk/~jakw/slstudio....

Role of the bond defect for structural transformations between crystalline and amorphous silicon: A molecular-dynamics study

International Nuclear Information System (INIS)

Stock, D. M.; Weber, B.; Gaertner, K.

2000-01-01

The relation between the bond defect, which is a topological defect, and structural transformations between crystalline and amorphous silicon, is studied by molecular-dynamics simulations. The investigation of 1-keV boron implantation into crystalline silicon proves that the bond defect can also be generated directly by collisional-induced bond switching in addition to its formation by incomplete recombination of primary defects. This supports the assumption that the bond defect may play an important role in the amorphization process of silicon by light ions. The analysis of the interface between (001) silicon and amorphous silicon shows that there are two typical defect configurations at the interface which result from two different orientations of the bond defect with respect to the interface. Thus the bond defect appears to be a characteristic structural feature of the interface. Moreover, annealing results indicate that the bond defect acts as a growth site for interface-mediated crystallization

Effects of blending poly(D,L-lactide) with poly(ethylene glycol) on the higher-order crystalline structures of poly(ethylene glycol) as revealed by small-angle X-ray scattering

International Nuclear Information System (INIS)

Tien, N D; Kimura, G; Yamashiro, Y; Fujiwara, H; Sasaki, S; Sakurai, S; Hoa, T P; Mochizuki, M

2011-01-01

Effects of blending poly(lactic acid) (PLA) with poly(ethylene glycol) (PEG) on higher-order crystalline structures of PEG were examined using small-angle X-ray scattering (SAXS). For this purpose, the fact that two polymers are both crystalline makes situtation much complicated. To simplify, non-crystalline PLA is suitable. Thus, we used poly(D,L-lactic acid) (DLPLA), which is random copolymer comprising D- and L-lactic acid moieties. Multiple scattering peaks arising from the regular crystalline lamellar structure were observed for the PEG homopolymer and the blends. Surprisingly, the structure is much more regular for the blend DLPLA/PEG at composition of 20/80 wt.% than for the PEG homopolymer. Also for this blend sample as well as for a PEG homopolymer, very peculiar SAXS profiles were observed just 1 deg. C below T m of PEG. This is found to be a particle scattering of plate-like objects, which has never been reported for polymer blends or crystalline polymers. Futhermore, it was found that there was strong hysteresis of the higher-order structure formation.

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.

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)

Protective Effects of Acetylation on the Pathological Reactions of the Lens Crystallins with Homocysteine Thiolactone.

Directory of Open Access Journals (Sweden)

Zeinab Moafian

Full Text Available Various post-translational lens crystallins modifications result in structural and functional insults, contributing to the development of lens opacity and cataract disorders. Lens crystallins are potential targets of homocysteinylation, particularly under hyperhomocysteinemia which has been indicated in various eye diseases. Since both homocysteinylation and acetylation primarily occur on protein free amino groups, we applied different spectroscopic methods and gel mobility shift analysis to examine the possible preventive role of acetylation against homocysteinylation. Lens crystallins were extensively acetylated in the presence of acetic anhydride and then subjected to homocysteinylation in the presence of homocysteine thiolactone (HCTL. Extensive acetylation of the lens crystallins results in partial structural alteration and enhancement of their stability, as well as improvement of α-crystallin chaperone-like activity. In addition, acetylation partially prevents HCTL-induced structural alteration and aggregation of lens crystallins. Also, acetylation protects against HCTL-induced loss of α-crystallin chaperone activity. Additionally, subsequent acetylation and homocysteinylation cause significant proteolytic degradation of crystallins. Therefore, further experimentation is required in order to judge effectively the preventative role of acetylation on the structural and functional insults induced by homocysteinylation of lens crystallins.

Microscopic theory of singlet exciton fission. III. Crystalline pentacene

International Nuclear Information System (INIS)

Berkelbach, Timothy C.; Reichman, David R.; Hybertsen, Mark S.

2014-01-01

We extend our previous work on singlet exciton fission in isolated dimers to the case of crystalline materials, focusing on pentacene as a canonical and concrete example. We discuss the proper interpretation of the character of low-lying excited states of relevance to singlet fission. In particular, we consider a variety of metrics for measuring charge-transfer character, conclusively demonstrating significant charge-transfer character in the low-lying excited states. The impact of this electronic structure on the subsequent singlet fission dynamics is assessed by performing real-time master-equation calculations involving hundreds of quantum states. We make direct comparisons with experimental absorption spectra and singlet fission rates, finding good quantitative agreement in both cases, and we discuss the mechanistic distinctions that exist between small isolated aggregates and bulk systems

Microscopic theory of singlet exciton fission. III. Crystalline pentacene

Energy Technology Data Exchange (ETDEWEB)

Berkelbach, Timothy C., E-mail: tcb2112@columbia.edu; Reichman, David R., E-mail: drr2103@columbia.edu [Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027 (United States); Hybertsen, Mark S., E-mail: mhyberts@bnl.gov [Center for Functional Nanomaterials, Brookhaven National Laboratory, Upton, New York 11973-5000 (United States)

2014-08-21

We extend our previous work on singlet exciton fission in isolated dimers to the case of crystalline materials, focusing on pentacene as a canonical and concrete example. We discuss the proper interpretation of the character of low-lying excited states of relevance to singlet fission. In particular, we consider a variety of metrics for measuring charge-transfer character, conclusively demonstrating significant charge-transfer character in the low-lying excited states. The impact of this electronic structure on the subsequent singlet fission dynamics is assessed by performing real-time master-equation calculations involving hundreds of quantum states. We make direct comparisons with experimental absorption spectra and singlet fission rates, finding good quantitative agreement in both cases, and we discuss the mechanistic distinctions that exist between small isolated aggregates and bulk systems.

Anisotropy and temperature dependence of structural, thermodynamic, and elastic properties of crystalline cellulose Iβ: a first-principles investigation

Science.gov (United States)

ShunLi Shang; Louis G. Hector Jr.; Paul Saxe; Zi-Kui Liu; Robert J. Moon; Pablo D. Zavattieri

2014-01-01

Anisotropy and temperature dependence of structural, thermodynamic and elastic properties of crystalline cellulose Iβ were computed with first-principles density functional theory (DFT) and a semi-empirical correction for van der Waals interactions. Specifically, we report the computed temperature variation (up to 500...

A Hybrid Solid-State NMR and Electron Microscopy Structure-Determination Protocol for Engineering Advanced para-Crystalline Optical Materials

NARCIS (Netherlands)

Thomas, Brijith; Rombouts, Jeroen; Oostergetel, Gert T.; Gupta, Karthick B.S.S.; Buda, Francesco; Lammertsma, Koop; Orru, Romano; de Groot, Huub J.M.

2017-01-01

Hybrid magic-angle spinning (MAS) NMR spectroscopy and TEM were demonstrated for de novo structure determination of para-crystalline materials with a bioinspired fused naphthalene diimide (NDI)–salphen–phenazine prototype light-harvesting compound. Starting from chiral building blocks with C2

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.

Verification of the shallow seismic crustal structure of the western Krušné Hory crystalline unit, Czech Republic

Czech Academy of Sciences Publication Activity Database

Novotný, O.; Málek, Jiří; Žanda, Libor

2013-01-01

Roč. 57, č. 3 (2013), s. 507-519 ISSN 0039-3169 R&D Projects: GA ČR GAP210/12/2336; GA AV ČR IAA300120905 Institutional support: RVO:67985891 Keywords : West Bohemia * Krušné hory * crystalline unit * shallow structure Subject RIV: DC - Siesmology, Volcanology, Earth Structure Impact factor: 0.752, year: 2013

Critical Role of Crystalline Anisotropy in the Stability of Cellular Array Structures in Directional Solidification

International Nuclear Information System (INIS)

Kopczynski, P.; Rappel, W.; Karma, A.

1996-01-01

We calculate numerically the full Floquet-Bloch stability spectrum of cellular array structures in a symmetric model of directional solidification. Our results demonstrate that crystalline anisotropy critically influences the stability of these structures. Without anisotropy, the stability balloon of cells in the plane of wave number and velocity closes near the onset of morphological instability. With a finite, but even small, amount of anisotropy this balloon remains open and a band of stable solutions persists for higher velocities into a deep cell regime. The width of the balloon depends critically on the anisotropy strength. copyright 1996 The American Physical Society

Direct writing of large-area micro/nano-structural arrays on single crystalline germanium substrates using femtosecond lasers

Science.gov (United States)

Li, Lin; Wang, Jun

2017-06-01

A direct writing technique for fabricating micro/nano-structural arrays without using a multi-scanning process, multi-beam interference, or any assisted microlens arrays is reported. Various sub-wavelength micro/nano-structural arrays have been directly written on single crystalline germanium substrate surfaces using femtosecond laser pulses. The evolution of the multiscale surface morphology from periodic micro/nano-structures to V-shaped microgrooves has been achieved, and the relationship between array characteristics and laser polarization directions has been discussed. The self-organization model agrees well with the experimental results in this study.

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.

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)

γ-Irradiation assisted synthesis of graphene oxide sheets supported Ag nanoparticles with single crystalline structure and parabolic distribution from interlamellar limitation

Energy Technology Data Exchange (ETDEWEB)

Yue, Yunhao; Zhou, Baoming; Shi, Jie; Chen, Cheng; Li, Nan; Xu, Zhiwei, E-mail: xuzhiwei@tjpu.edu.cn; Liu, Liangsen; Kuang, Liyun; Ma, Meijun; Fu, Hongjun

2017-05-01

Highlights: • Graphene oxide sheets supported Ag nanoparticles composites are successfully prepared via γ-irradiation without surfactant or functional agent. • Ag nanoparticles exhibit single crystalline structure and parabolic distribution on the surface of graphene oxide sheets. • Proposing a view that the growth of intercellular AgNPs can be limited by graphite oxide. - Abstract: This paper reported a method to fabricate graphene oxide sheets supported Ag nanoparticles (AgNPs/GOS) with single crystalline structure and parabolic distribution without surfactant or functional agent. We used imidazole silver nitrate as intercalation precursor into the layers of graphite oxide, and subsequently reduction and growth of interlamellar AgNPs were induced via γ-irradiation. The results illustrated that the synergism of interlamellar limitation of graphite oxide and fragmentation ability of γ-irradiation could prevent coalescent reaction of AgNPs with other oligomeric clusters, and the single crystalline and small-sized (below 13.9 nm) AgNPs were prepared. Moreover, the content and size of AgNPs exhibited parabolic distribution on GOS surface because the graphite oxide exfoliated to GOS from the edge to the central area of layers. In addition, complete exfoliation degree of GOS and large-sized AgNPs were obtained simultaneously under suitable silver ions concentration. Optimized composites exhibited outstanding surface-enhanced Raman scattering properties for crystal violet with enhancement factor of 1.3 × 10{sup 6} and detection limit of 1.0 × 10{sup −7} M, indicating that the AgNPs/GOS composites could be applied to trace detection of organic dyes molecules. Therefore, this study presented a strategy for developing GOS supported nanometal with single crystalline structure and parabolic distribution based on γ-irradiation.

γ-Irradiation assisted synthesis of graphene oxide sheets supported Ag nanoparticles with single crystalline structure and parabolic distribution from interlamellar limitation

International Nuclear Information System (INIS)

Yue, Yunhao; Zhou, Baoming; Shi, Jie; Chen, Cheng; Li, Nan; Xu, Zhiwei; Liu, Liangsen; Kuang, Liyun; Ma, Meijun; Fu, Hongjun

2017-01-01

Highlights: • Graphene oxide sheets supported Ag nanoparticles composites are successfully prepared via γ-irradiation without surfactant or functional agent. • Ag nanoparticles exhibit single crystalline structure and parabolic distribution on the surface of graphene oxide sheets. • Proposing a view that the growth of intercellular AgNPs can be limited by graphite oxide. - Abstract: This paper reported a method to fabricate graphene oxide sheets supported Ag nanoparticles (AgNPs/GOS) with single crystalline structure and parabolic distribution without surfactant or functional agent. We used imidazole silver nitrate as intercalation precursor into the layers of graphite oxide, and subsequently reduction and growth of interlamellar AgNPs were induced via γ-irradiation. The results illustrated that the synergism of interlamellar limitation of graphite oxide and fragmentation ability of γ-irradiation could prevent coalescent reaction of AgNPs with other oligomeric clusters, and the single crystalline and small-sized (below 13.9 nm) AgNPs were prepared. Moreover, the content and size of AgNPs exhibited parabolic distribution on GOS surface because the graphite oxide exfoliated to GOS from the edge to the central area of layers. In addition, complete exfoliation degree of GOS and large-sized AgNPs were obtained simultaneously under suitable silver ions concentration. Optimized composites exhibited outstanding surface-enhanced Raman scattering properties for crystal violet with enhancement factor of 1.3 × 10"6 and detection limit of 1.0 × 10"−"7 M, indicating that the AgNPs/GOS composites could be applied to trace detection of organic dyes molecules. Therefore, this study presented a strategy for developing GOS supported nanometal with single crystalline structure and parabolic distribution based on γ-irradiation.

THE CONCEPT AND ESSENCE, THE STRUCTURE OF REAL ESTATE MARKET

Directory of Open Access Journals (Sweden)

Edgar V. Hovsepyan

2015-01-01

Full Text Available With the help of the international research literature, and the legislative framework of the Russian Federation and the Republic of Armenia in the article reveals the basic concepts and the essence of the real estate market, as well as given the classification of real estate. Thoroughly explains the difference between the concepts of "real estate" and "real property". In the article considered the main elements which includes the structure of the real estate market.

Real non-abelian mixed hodge structures for quasi-projective varieties

CERN Document Server

Pridham, J P

2016-01-01

The author defines and constructs mixed Hodge structures on real schematic homotopy types of complex quasi-projective varieties, giving mixed Hodge structures on their homotopy groups and pro-algebraic fundamental groups. The author also shows that these split on tensoring with the ring \\mathbb{R}[x] equipped with the Hodge filtration given by powers of (x-i), giving new results even for simply connected varieties. The mixed Hodge structures can thus be recovered from the Gysin spectral sequence of cohomology groups of local systems, together with the monodromy action at the Archimedean place. As the basepoint varies, these structures all become real variations of mixed Hodge structure.

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

Photoinduced macroscopic chiral structures in a series of azobenzene copolyesters

DEFF Research Database (Denmark)

Nedelchev, L.; Nikolova, L.; Matharu, A.

2002-01-01

A study of the propagation of elliptically polarized light and the resulting formation of macroscopic chiral structures in a series of azobenzene side-chain copolyesters, in which the morphology is varied from liquid crystalline to amorphous, is reported. Real-time measurements are presented...

Electrochemical synthesis of highly crystalline copper nanowires

International Nuclear Information System (INIS)

Kaur, Amandeep; Gupta, Tanish; Kumar, Akshay; Kumar, Sanjeev; Singh, Karamjeet; Thakur, Anup

2015-01-01

Copper nanowires were fabricated within the pores of anodic alumina template (AAT) by template synthesis method at pH = 2.9. X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive spectroscopy (EDS) were used to investigate the structure, morphology and composition of fabricated nanowires. These characterizations revealed that the deposited copper nanowires were highly crystalline in nature, dense and uniform. The crystalline copper nanowires are promising in application of future nanoelectronic devices and circuits

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.

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}.

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.

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.

Liquid Crystalline Semiconductors Materials, properties and applications

CERN Document Server

Kelly, Stephen; O'Neill, Mary

2013-01-01

This is an exciting stage in the development of organic electronics. It is no longer an area of purely academic interest as increasingly real applications are being developed, some of which are beginning to come on-stream. Areas that have already been commercially developed or which are under intensive development include organic light emitting diodes (for flat panel displays and solid state lighting), organic photovoltaic cells, organic thin film transistors (for smart tags and flat panel displays) and sensors. Within the family of organic electronic materials, liquid crystals are relative newcomers. The first electronically conducting liquid crystals were reported in 1988 but already a substantial literature has developed. The advantage of liquid crystalline semiconductors is that they have the easy processability of amorphous and polymeric semiconductors but they usually have higher charge carrier mobilities. Their mobilities do not reach the levels seen in crystalline organics but they circumvent all of t...

ZnO Coatings with Controlled Pore Size, Crystallinity and Electrical Conductivity

Directory of Open Access Journals (Sweden)

Roman SCHMACK

2016-05-01

Full Text Available Zinc oxide is a wide bandgap semiconductor with unique optical, electrical and catalytic properties. Many of its practical applications rely on the materials pore structure, crystallinity and electrical conductivity. We report a synthesis method for ZnO films with ordered mesopore structure and tuneable crystallinity and electrical conductivity. The synthesis relies on dip-coating of solutions containing micelles of an amphiphilic block copolymer and complexes of Zn2+ ions with aliphatic ligands. A subsequent calcination at 400°C removes the template and induces crystallization of the pore walls. The pore structure is controlled by the template polymer, whereas the aliphatic ligands control the crystallinity of the pore walls. Complexes with a higher thermal stability result in ZnO films with a higher content of residual carbon, smaller ZnO crystals and therefore lower electrical conductivity. The paper discusses the ability of different types of ligands to assist in the synthesis of mesoporous ZnO and relates the structure and thermal stability of the precursor complexes to the crystallinity and electrical conductivity of the zinc oxide.DOI: http://dx.doi.org/10.5755/j01.ms.22.1.8634

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.

Thermally driven smoothening of molecular thin films: Structural transitions in n-alkane layers studied in real-time

Energy Technology Data Exchange (ETDEWEB)

Pithan, Linus; Weber, Christopher; Zykov, Anton; Sauer, Katrein; Opitz, Andreas; Kowarik, Stefan, E-mail: stefan.kowarik@physik.hu-berlin.de [Institut für Physik, Humboldt-Universität zu Berlin, 12489 Berlin (Germany); Meister, Eduard; Brütting, Wolfgang [Institut für Physik, Universität Augsburg, 86135 Augsburg (Germany); Jin, Chenyu; Riegler, Hans [Max-Planck-Institut für Kolloid- und Grenzflächenforschung, 14476 Potsdam-Golm (Germany)

2015-10-28

We use thermal annealing to improve smoothness and to increase the lateral size of crystalline islands of n-tetratetracontane (TTC, C{sub 44}H{sub 90}) films. With in situ x-ray diffraction, we find an optimum temperature range leading to improved texture and crystallinity while avoiding an irreversible phase transition that reduces crystallinity again. We employ real-time optical phase contrast microscopy with sub-nm height resolution to track the diffusion of TTC across monomolecular step edges which causes the unusual smoothing of a molecular thin film during annealing. We show that the lateral island sizes increase by more than one order of magnitude from 0.5 μm to 10 μm. This desirable behavior of 2d-Ostwald ripening and smoothing is in contrast to many other organic molecular films where annealing leads to dewetting, roughening, and a pronounced 3d morphology. We rationalize the smoothing behavior with the highly anisotropic attachment energies and low surface energies for TTC. The results are technically relevant for the use of TTC as passivation layer and as gate dielectric in organic field effect transistors.

Growth and Brilliant Photo-Emission of Crystalline Hexagonal Column of Alq3 Microwires

Directory of Open Access Journals (Sweden)

Seokho Kim

2018-03-01

Full Text Available We report the growth and nanoscale luminescence characteristics of 8-hydroxyquinolinato aluminum (Alq3 with a crystalline hexagonal column morphology. Pristine Alq3 nanoparticles (NPs were prepared using a conventional reprecipitation method. Crystal hexagonal columns of Alq3 were grown by using a surfactant-assisted self-assembly technique as an adjunct to the aforementioned reprecipitation method. The formation and structural properties of the crystalline and non-crystalline Alq3 NPs were analyzed with scanning electron microscopy and X-ray diffraction. The nanoscale photoluminescence (PL characteristics and the luminescence color of the Alq3 single NPs and their crystal microwires (MWs were evaluated from color charge-coupled device images acquired using a high-resolution laser confocal microscope. In comparison with the Alq3 NPs, the crystalline MWs exhibited a very bright and sharp emission. This enhanced and sharp emission from the crystalline Alq3 single MWs originated from effective π-π stacking of the Alq3 molecules due to strong interactions in the crystalline structure.

Early changes in retinal structure and BMP2 expression in the retina and crystalline lens of streptozotocin-induced diabetic pigs.

Science.gov (United States)

Jeong, Jae Seung; Lee, Woon-Kyu; Moon, Yeon Sung; Kim, Na Rae

2017-09-01

This study aims to evaluate early changes in retinal structure and BMP2 expression in the retina and crystalline lens by comparing streptozotocin-induced diabetic pigs and normal control group pigs. Five eye samples from five diabetic Micro-pigs (Medikinetics, Pyeongtaek, Korea) and five eye samples from five control pigs bred in a specific pathogen-free area were used. Diabetes was developed through intravenous injection of nicotinamide and streptozotocin, and the average fasting glucose level was maintained at 250 mg/dL or higher for 16 weeks. To evaluate BMP2 expression in the retina and crystalline lens, Western blotting was performed. In Hematoxylin and Eosin staining, most diabetic pigs showed structural abnormalities in the inner plexiform layer. The number of nuclei in the ganglion cell layer within the range of 10 4 µm 2 was 3.78±0.60 for diabetic pigs and 5.57±1.07 for control group pigs, showing a statistically significant difference. In immunohistochemical staining, diabetic retinas showed an overall increase in BMP2 expression. In Western blotting, the average BMP2/actin level of diabetic retinas was 1.19±0.05, showing a significant increase compared to the 1.06±0.03 of the control group retinas ( P =0.016). The BMP2/actin level of diabetic crystalline lenses was similar to the control group crystalline lenses ( P =0.730). Compared to control group pigs, the number of nuclei in the inner nuclear layer of retinas from streptozotocin-induced diabetic pigs decreased, while an increase in BMP2 expression was observed in the retina of diabetic pigs.

Algorithm for the real-structure design of neutron supermirrors

International Nuclear Information System (INIS)

Pleshanov, N.K.

2004-01-01

The effect of structure imperfections of neutron supermirrors on their performance is well known. Nevertheless, supermirrors are designed with the algorithms based on the theories of reflection from perfect layered structures. In the present paper an approach is suggested, in which the design of a supermirror is made on the basis of its real-structure model (the RSD algorithm) with the use of exact numerical methods. It allows taking the growth laws and the reflectance of real structures into account. The new algorithm was compared with the Gukasov-Ruban-Bedrizova (GRB) algorithm and with the most frequently used algorithm of Hayter and Mook (HM). Calculations showed that, when the parameters of the algorithms are chosen so that the supermirrors designed for a given angular acceptance m have the same number of bilayers, (a) for perfect layers the GRB, HM and RSD algorithms generate sequences of practically the same reflectance; (b) for real structures with rough interfaces and interdiffusion the GRB and HM algorithms generate sequences with insufficient number of thinner layers and the RSD algorithm turns out to be more responsive and efficient. The efficiency of the RSD algorithm increases for larger m. In addition, calculations have been carried out to demonstrate the effect of fabrication errors and absorption on the reflectance of Ni/Ti supermirrors

Evaluation of the effect of roasting process on the energy transition and the crystalline structures of Arabica, Robusta, and Liberica coffee from Jambi Indonesia

Science.gov (United States)

Perdana, B. M.; Manihuruk, R.; Ashyar, R.; Heriyanti; Sutrisno

2018-04-01

The effect of the roasting process has been evaluated to determine of the energy transition and the crystalline structure of three types of coffee, Arabica, Robusta, and Liberica coffee both green and roasted coffee with the roasted temperature at 200°C and 230°C. The crystalline structure of the coffee was evaluated with X-ray powder diffraction (XRD). The result exposes that the three types of green coffee showed that an amorphous structure whereas the roasted coffee denotes a crystal structure of sucrose. The varied temperature in the roasting process leads to changes in the crystal structure shown by the peak shift of 2θ for all types of coffee. The added cations, such as Fe2+, Ca2+, and Mg2+ ions on Liberica coffee induced of changes in the crystal structures, which are assigned by the peak shift, that imply of metal ions of the sucrose complexes happened in the solution, except for the addition of Mg2+ ion.

Glycation precedes lens crystallin aggregation

International Nuclear Information System (INIS)

Swamy, M.S.; Perry, R.E.; Abraham, E.C.

1987-01-01

Non-enzymatic glycosylation (glycation) seems to have the potential to alter the structure of crystallins and make them susceptible to thiol oxidation leading to disulfide-linked high molecular weight (HMW) aggregate formation. They used streptozotocin diabetic rats during precataract and cataract stages and long-term cell-free glycation of bovine lens crystallins to study the relationship between glycation and lens crystallin aggregation. HMW aggregates and other protein components of the water-soluble (WS) and urea-soluble (US) fractions were separated by molecular sieve high performance liquid chromatography. Glycation was estimated by both [ 3 H]NaBH 4 reduction and phenylboronate agarose affinity chromatography. Levels of total glycated protein (GP) in the US fractions were about 2-fold higher than in the WS fractions and there was a linear increase in GP in both WS and US fractions. This increase was parallelled by a corresponding increase in HMW aggregates. Total GP extracted by the affinity method from the US fraction showed a predominance of HMW aggregates and vice versa. Cell-free glycation studies with bovine crystallins confirmed the results of the animals studies. Increasing glycation caused a corresponding increase in protein insolubilization and the insoluble fraction thus formed also contained more glycated protein. It appears that lens protein glycation, HMW aggregate formation, and protein insolubilization are interrelated

Effect of hydridation on structure of amorphous and amorphous-crystalline Fe40Ni40B20 and Co70Fe5Si15B10 bands

International Nuclear Information System (INIS)

Il'inskij, A.G.; Brovko, A.P.; Zelinskaya, G.M.; Kosenko, N.S.; Khristenko, T.M.; Kobzenko, G.F.; Shkola, A.A.

1988-01-01

The structure of amorphous and amorphous-crystaliline Fe 40 Ni 40 B 20 and Co 70 Fe 5 Si-1 5 B 10 alloys, exposed to hydridation at different temperatures, is studied by X-ray diffraction technique. The presence of crystalline constituent in amorphous bands was determined on DRON-3 device and by method of small-angle scattering. The experimental data obtained verify, that hydridation does not only prevent the formation of crystalline phases at annealing, but leads, as well, to disappearance of band crystalline constituent in case of its presence

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.

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.

Low-temperature sputtering of crystalline TiO2 films

International Nuclear Information System (INIS)

Musil, J.; Herman, D.; Sicha, J.

2006-01-01

This article reports on the investigation of reactive magnetron sputtering of transparent, crystalline titanium dioxide films. The aim of this investigation is to determine a minimum substrate surface temperature T surf necessary to form crystalline TiO 2 films with anatase structure. Films were prepared by dc pulsed reactive magnetron sputtering using a dual magnetron operating in bipolar mode and equipped with Ti(99.5) and ceramic Ti 5 O 9 targets. The films were deposited on unheated glass substrates and their structure was characterized by x-ray diffraction and surface morphology by atomic force microscopy. Special attention is devoted to the measurement of T surf using thermostrips pasted to the glass substrate. It was found that (1) T surf is considerably higher (approximately by 100 deg. C or more) than the substrate temperature T s measured by the thermocouple incorporated into the substrate holder and (2) T surf strongly depends on the substrate-to-target distance d s-t , the magnetron target power loading, and the thermal conductivity of the target and its cooling. The main result of this study is the finding that (1) the crystallization of sputtered TiO 2 films depends not only on T surf but also on the total pressure p T of sputtering gas (Ar+O 2 ), partial pressure of oxygen p O 2 , the film deposition rate a D , and the film thickness h (2) crystalline TiO 2 films with well developed anatase structure can be formed at T surf =160 deg. C and low values of a D ≅5 nm/min (3) the crystalline structure of TiO 2 film gradually changes from (i) anatase through (ii) anatase+rutile mixture, and (iii) pure rutile to x-ray amorphous structure at T surf =160 deg. C and p T =0.75 Pa when p O 2 decreases and a D increases above 5 nm/min, and (4) crystallinity of the TiO 2 films decreases with decreasing h and T surf . Interrelationships between the structure of TiO 2 film, its roughness, T surf , and a D are discussed in detail. Trends of next development are

Algorithms for singularities and real structures of weak Del Pezzo surfaces

KAUST Repository

Lubbes, Niels

2014-08-01

In this paper, we consider the classification of singularities [P. Du Val, On isolated singularities of surfaces which do not affect the conditions of adjunction. I, II, III, Proc. Camb. Philos. Soc. 30 (1934) 453-491] and real structures [C. T. C. Wall, Real forms of smooth del Pezzo surfaces, J. Reine Angew. Math. 1987(375/376) (1987) 47-66, ISSN 0075-4102] of weak Del Pezzo surfaces from an algorithmic point of view. It is well-known that the singularities of weak Del Pezzo surfaces correspond to root subsystems. We present an algorithm which computes the classification of these root subsystems. We represent equivalence classes of root subsystems by unique labels. These labels allow us to construct examples of weak Del Pezzo surfaces with the corresponding singularity configuration. Equivalence classes of real structures of weak Del Pezzo surfaces are also represented by root subsystems. We present an algorithm which computes the classification of real structures. This leads to an alternative proof of the known classification for Del Pezzo surfaces and extends this classification to singular weak Del Pezzo surfaces. As an application we classify families of real conics on cyclides. © World Scientific Publishing Company.

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.

Correlation between the fine structure of spin-coated PEDOT:PSS and the photovoltaic performance of organic/crystalline-silicon heterojunction solar cells

Energy Technology Data Exchange (ETDEWEB)

Funda, Shuji; Ohki, Tatsuya; Liu, Qiming; Hossain, Jaker; Ishimaru, Yoshihiro; Ueno, Keiji; Shirai, Hajime [Graduate School of Science and Engineering, Saitama University, Saitama 338-8570 (Japan)

2016-07-21

We investigated the relationship between the fine structure of spin-coated conductive polymer poly(3,4-ethylenedioxythiphene):poly(styrene sulfonate) (PEDOT:PSS) films and the photovoltaic performance of PEDOT:PSS crystalline-Si (PEDOT:PSS/c-Si) heterojunction solar cells. Real-time spectroscopic ellipsometry revealed that there were two different time constants for the formation of the PEDOT:PSS network. Upon removal of the polar solvent, the PEDOT:PSS film became optically anisotropic, indicating a conformational change in the PEDOT and PSS chain. Polarized Fourier transform infrared attenuated total reflection absorption spectroscopy and Raman spectroscopy measurements also indicated that thermal annealing promoted an in-plane π-conjugated C{sub α} = C{sub β} configuration attributed to a thiophene ring in PEDOT and an out-of-plane configuration of -SO{sub 3} groups in the PSS chain with increasing composition ratio of oxidized (benzoid) to neutral (quinoid) PEDOT, I{sub qui}/I{sub ben}. The highest power conversion efficiency for the spin-coated PEDOT:PSS/c-Si heterojunction solar cells was 13.3% for I{sub qui}/I{sub ben} = 9–10 without employing any light harvesting methods.

[fs-Lentotomy: presbyopia reversal by generating gliding planes inside the crystalline lens].

Science.gov (United States)

Lubatschowski, H; Schumacher, S; Wegener, A; Fromm, M; Oberheide, U; Hoffmann, H; Gerten, G

2009-12-01

Based on the Helmholtz theory for accommodation, increasing sclerosis of the lens nucleus and cortex is the main cause for the development of presbyopia. Existing therapies, however, do not reverse the stiffness of the crystalline lens and thus do not regain real accommodation ability. A new approach to restore the flexibility of the lens has been realised by utilising the non-linear interaction of ultrafast laser pulses with transparent tissue, the so-called photodisruption. This process has been used to create micro-incisions which act as gliding planes inside the crystalline lens without opening the eye globe. This treatment method, known as fs-lentotomy, enables regeneration of real dynamic accommodation. For the first time, 3D structures for gliding planes were successfully generated in experiments with human donor lenses of different ages. An average increase in anterior-posterior lens thickness of 100 mum accompanied by a decrease of equatorial lens diameter was observed as a direct consequence of fs-lentotomy. This is attributed to the increased flexibility, as the force of the capsule bag moulds the lens tissue more spherically. Moreover, in vivo experiments on rabbit eye lenses did not induce an increasing opacification (cataract) over a six-month follow-up period. However, the incisions were still detectable using Scheimpflug imaging and histopathological techniques, although the visibility of the incisions was declining. Furthermore, no side effects were observed during the wound healing process and during a six-months follow-up period. Based on these findings fs-lentotomy might have the potential to become a procedure for the reversal of presbyopia. Copyright Georg Thieme Verlag KG Stuttgart . New York.

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

Development of shear bands in amorphous-crystalline metallic alloys

International Nuclear Information System (INIS)

Pozdnyakov, V.A.

2004-01-01

A theoretical study is made into conditions of shear band evolution in amorphous-crystalline alloys with various morphological types of structural constituents. The condition of shear band evolution in thin amorphous alloys in the interior of the crystalline matrix is obtained. It is shown that a scale effect exists which manifests itself in suppression of the process of localized plastic flow with amorphous alloy thickness decreasing down to the limit. The analysis of the condition for shear band evolution in an amorphous alloy with nanocrystalline inclusions is accomplished. The relationship of a critical stress of shear band evolution to a volume fraction of disperse crystal inclusions is obtained. A consideration is also given to the evolution of shear bands in the material containing amorphous and crystalline areas of micro meter size. For the alloy with the structure of this type conditions for propagation of localized flows by a relay race type mechanism are determined [ru

On the determination of crystallinity and cellulose content in plant fibres

DEFF Research Database (Denmark)

Thygesen, Anders; Oddershede, Jette; Lilholt, Hans

2005-01-01

A comparative study of cellulose crystallinity based on the sample crystallinity and the cellulose content in plant fibres was performed for samples of different origin. Strong acid hydrolysis was found superior to agricultural fibre analysis and comprehensive plant fibre analysis for a consistent...... determination of the cellulose content. Crystallinity determinations were based on X-ray powder diffraction methods using side-loaded samples in reflection (Bragg-Brentano) mode. Rietveld refinements based on the recently published crystal structure of cellulose I beta followed by integration of the crystalline...... and 60 - 70 g/ 100 g cellulose in wood based fibres. These findings are significant in relation to strong fibre composites and bio-ethanol production....

Structure and crystallinity of water dispersible photoactive nanoparticles for organic solar cells

DEFF Research Database (Denmark)

Pedersen, Emil Bøje Lind; Pedersen, M.C.; Simonsen, Søren Bredmose

2015-01-01

Water based inks would be a strong advantage for large scale production of organic photovoltaic devices. Formation of water dispersible nanoparticles produced by the Landfester method is a promising route to achieve such inks. We provide new insights into the key ink properties of poly(3-hexylthi......Water based inks would be a strong advantage for large scale production of organic photovoltaic devices. Formation of water dispersible nanoparticles produced by the Landfester method is a promising route to achieve such inks. We provide new insights into the key ink properties of poly(3......-hexylthiophene) (P3HT) and [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) nanoparticles such as the internal structure and crystallinity of the dispersed nanoparticles and the previously unreported drastic changes that occur when the inks are cast into a film. We observe through transmission electron...

Evaluation criteria of structural steel reliability

International Nuclear Information System (INIS)

Zav'yalov, A.S.

1980-01-01

Different low-carbon and medium-carbon structural steels are investigated. It is stated that steel reliability evaluation criteria depend on the fracture mode, steel suffering from the brittle fracture under the influence of the stresses (despite their great variety) arising in articles during the production and operation. Fibrous steel fracture at the given temperature and article thickness says about its high ductility and toughness and brittle fractures are impossible. Brittle fractures take place in case of a crystalline and mixed fracture with a predominant crystalline component. Evaluation methods of article and sample steel structural strength differing greatly from real articles in a thickness (diameter) or used at temperatures higher than possible operation temperatures cannot be reliability evaluation criteria because at a great thickness (diameter) and lower operation temperatures steel fracture and its strain mode can change resulting in a sharp reliability degradation

Crystallinity and properties of C60 nanotubes improved by annealing and alcohol-soaking

Science.gov (United States)

Naito, K.; Matsuishi, K.

2009-04-01

Well-uniformed C60 nanotubes were grown at -20 °C with irradiation of red light using C60-saturated pyridine solution and isopropyl alcohol by a liquid-liquid interfacial precipitation method without ultrasonic pulverization. We attempted to improve their crystallinity by two post-treatments; thermal annealing and alcohol-soaking. The crystallinity of as-grown and dried C60 nanotubes, which was poor due to the evaporation of solvent molecules from crystals in the drying process, was improved by annealing around 220 °C for 5 hours in vacuum. Dramatic improvement of crystallinity of as-grown samples was achieved by soaking into methanol and then drying in air. Raman, infrared and X-ray diffraction results suggest that the methanol-soaked samples exhibit a solvated tetragonal structure. The crystallinity improved by methanol-soaking did not degrade after removal of methanol molecules from samples by thermal annealing. Photo-polymerization of the structurally-improved C60 nanotubes was examined to investigate an effect of crystallinity on the polymerization kinetics.

Crystallinity and properties of C60 nanotubes improved by annealing and alcohol-soaking

International Nuclear Information System (INIS)

Naito, K; Matsuishi, K

2009-01-01

Well-uniformed C 60 nanotubes were grown at -20 deg. C with irradiation of red light using C 60 -saturated pyridine solution and isopropyl alcohol by a liquid-liquid interfacial precipitation method without ultrasonic pulverization. We attempted to improve their crystallinity by two post-treatments; thermal annealing and alcohol-soaking. The crystallinity of as-grown and dried C 60 nanotubes, which was poor due to the evaporation of solvent molecules from crystals in the drying process, was improved by annealing around 220 deg. C for 5 hours in vacuum. Dramatic improvement of crystallinity of as-grown samples was achieved by soaking into methanol and then drying in air. Raman, infrared and X-ray diffraction results suggest that the methanol-soaked samples exhibit a solvated tetragonal structure. The crystallinity improved by methanol-soaking did not degrade after removal of methanol molecules from samples by thermal annealing. Photo-polymerization of the structurally-improved C 60 nanotubes was examined to investigate an effect of crystallinity on the polymerization kinetics.

Synthesis and crystalline properties of CdS incorporated polyvinylidene fluoride (PVDF) composite film

Science.gov (United States)

Patel, Arunendra Kumar; Sunder, Aishwarya; Mishra, Shweta; Bajpai, Rakesh

2018-05-01

This paper gives an insight on the synthesis and crystalline properties of Polyvinylidene Fluoride (PVDF) (host matrix) composites impregnated with Cadmium Sulphide (CdS) using Dimethyl formamide (DMF) as the base, prepared by the well known solvent casting technique. The effect of doping concentration of CdS in to the PVDF matrix was studied using X-ray diffraction technique. The structural properties like crystallinity Cr, interplanar distance d, average size of the crystalline region (D), and average inter crystalline separation (R) have been estimated for the developed composite. The crystallinity index, crystallite size and inter crystalline separation is increasing with increase in the concentration of CdS in to the PVDF matrix while the interplanar distance d is decreasing.

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.

Hard sphere-like glass transition in eye lens α-crystallin solutions.

Science.gov (United States)

Foffi, Giuseppe; Savin, Gabriela; Bucciarelli, Saskia; Dorsaz, Nicolas; Thurston, George M; Stradner, Anna; Schurtenberger, Peter

2014-11-25

We study the equilibrium liquid structure and dynamics of dilute and concentrated bovine eye lens α-crystallin solutions, using small-angle X-ray scattering, static and dynamic light scattering, viscometry, molecular dynamics simulations, and mode-coupling theory. We find that a polydisperse Percus-Yevick hard-sphere liquid-structure model accurately reproduces both static light scattering data and small-angle X-ray scattering liquid structure data from α-crystallin solutions over an extended range of protein concentrations up to 290 mg/mL or 49% vol fraction and up to ca. 330 mg/mL for static light scattering. The measured dynamic light scattering and viscosity properties are also consistent with those of hard-sphere colloids and show power laws characteristic of an approach toward a glass transition at α-crystallin volume fractions near 58%. Dynamic light scattering at a volume fraction beyond the glass transition indicates formation of an arrested state. We further perform event-driven molecular dynamics simulations of polydisperse hard-sphere systems and use mode-coupling theory to compare the measured dynamic power laws with those of hard-sphere models. The static and dynamic data, simulations, and analysis show that aqueous eye lens α-crystallin solutions exhibit a glass transition at high concentrations that is similar to those found in hard-sphere colloidal systems. The α-crystallin glass transition could have implications for the molecular basis of presbyopia and the kinetics of molecular change during cataractogenesis.

Crystalline beam ground state

International Nuclear Information System (INIS)

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

1993-01-01

In order to employ Molecular Dynamics method, commonly used in condensed matter physics, we have derived the equations of motion for a beam of charged particles in the rotating rest frame of the reference particle. We include in the formalism that the particles are confined by the guiding and focusing magnetic fields, and that they are confined in a conducting vacuum pipe while interacting with each other via a Coulomb force. Numerical simulations has been performed to obtain the equilibrium structure. The effects of the shearing force, centrifugal force, and azimuthal variation of the focusing strength are investigated. It is found that a constant gradient storage ring can not give a crystalline beam, but that an alternating-gradient (AG) structure can. In such a machine the ground state is, except for one-dimensional (1-D) crystals, time-dependent. The ground state is a zero entropy state, despite the time-dependent, periodic variation of the focusing force. The nature of the ground state, similar to that found by Rahman and Schiffer, depends upon the density and the relative focusing strengths in the transverse directions. At low density, the crystal is 1-D. As the density increases, it transforms into various kinds of 2-D and 3-D crystals. If the energy of the beam is higher than the transition energy of the machine, the crystalline structure can not be formed for lack of radial focusing

Crystalline beam ground state

International Nuclear Information System (INIS)

Wei, J.; Li, X.P.

1993-01-01

In order to employ the Molecular Dynamics method, commonly used in condensed matter physics, the authors have derived the equations of motion for a beam of charged particles in the rotating rest frame of the reference particle. They include in the formalism that the particles are confined by the guiding and focusing magnetic fields, and that they are confined in a conducting vacuum pipe while interacting with each other via a Coulomb force. Numerical simulations has been performed to obtain the equilibrium structure. The effects of the shearing force, centrifugal force, and azimuthal variation of the focusing strength are investigated. It is found that a constant gradient storage ring can not give a crystalline beam, but that an alternating-gradient (AG) structure can. In such a machine the ground state is, except for one-dimensional (1-D) crystals, time-dependent. The ground state is a zero entropy state, despite the time-dependent, periodic variation of the focusing force. The nature of the ground state, similar to that found by Rahman and Schiffer, depends upon the density and the relative focusing strengths in the transverse directions. At low density, the crystal is 1-D. As the density increases, it transforms into various kinds of 2-D and 3-D crystals. If the energy of the beam is higher than the transition energy of the machine, the crystalline structure can not be formed for lack of radial focusing

γ-Irradiation assisted synthesis of graphene oxide sheets supported Ag nanoparticles with single crystalline structure and parabolic distribution from interlamellar limitation

Science.gov (United States)

Yue, Yunhao; Zhou, Baoming; Shi, Jie; Chen, Cheng; Li, Nan; Xu, Zhiwei; Liu, Liangsen; Kuang, Liyun; Ma, Meijun; Fu, Hongjun

2017-05-01

This paper reported a method to fabricate graphene oxide sheets supported Ag nanoparticles (AgNPs/GOS) with single crystalline structure and parabolic distribution without surfactant or functional agent. We used imidazole silver nitrate as intercalation precursor into the layers of graphite oxide, and subsequently reduction and growth of interlamellar AgNPs were induced via γ-irradiation. The results illustrated that the synergism of interlamellar limitation of graphite oxide and fragmentation ability of γ-irradiation could prevent coalescent reaction of AgNPs with other oligomeric clusters, and the single crystalline and small-sized (below 13.9 nm) AgNPs were prepared. Moreover, the content and size of AgNPs exhibited parabolic distribution on GOS surface because the graphite oxide exfoliated to GOS from the edge to the central area of layers. In addition, complete exfoliation degree of GOS and large-sized AgNPs were obtained simultaneously under suitable silver ions concentration. Optimized composites exhibited outstanding surface-enhanced Raman scattering properties for crystal violet with enhancement factor of 1.3 × 106 and detection limit of 1.0 × 10-7 M, indicating that the AgNPs/GOS composites could be applied to trace detection of organic dyes molecules. Therefore, this study presented a strategy for developing GOS supported nanometal with single crystalline structure and parabolic distribution based on γ-irradiation.

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.

Fingerprinting analysis of non-crystalline pharmaceutical compounds using high energy X-rays and the total scattering pair distribution function

Science.gov (United States)

Davis, Timur D.

2011-12-01

In the development of new medicinal products, poor oral bioavailability, due to the low solubilities of many active pharmaceutical ingredients (APIs), is increasingly a barrier for treatments to be administered using tablet or capsule formulations and one of the main challenges facing the pharmaceutical industry. Non-crystalline phases such as the amorphous and nanostructured states can confer increased solubility to a drug, and therefore, have recently garnered a lot of interest from pharmaceutical researchers. However, little is known about local ordering in non-crystalline pharmaceuticals due to the lack of reliable experimental probes, hindering the clinical application of these compounds. The powerful tools of crystallography begin to lose their potency for structures on the nanoscale; conventional X-ray powder diffraction (XRPD) patterns become broad and featureless in these cases and are not useful for differentiating between different local molecular packing arrangements. In this thesis, we introduce the use of high energy X-rays coupled with total scattering pair distribution function (TSPDF) and fingerprinting analysis to investigate the local structures of non-crystalline pharmaceutical compounds. The high energy X-rays allow us to experimentally collect diffuse scattering intensities, which contain information about a sample's local ordering, in addition to the Bragg scattering available in conventional XRPD experiments, while the TSPDF allows us to view the intra- and inter-molecular correlations in real space. The goal of this study was to address some fundamental problems involving fingerprinting non-crystalline APIs using TSPDF in order to lay the groundwork for the proper use of the technique by the pharmaceutical community. We achieved this by developing the methodology as well as the exploring the scientific implications. On the methodology side, we introduced PDFGetX3, a new software program for calculating TSPDFs that simplifies the procedure

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

Hypothetical planar and nanotubular crystalline structures with five interatomic bonds of Kepler nets type

Directory of Open Access Journals (Sweden)

Aleksey I. Kochaev

2017-02-01

Full Text Available The possibility of metastable existence of planar and non-chiral nanotubular crystalline lattices in the form of Kepler nets of 34324, 3342, and 346 types (the notations are given in Schläfly symbols, using ab initio calculations, has researched. Atoms of P, As, Sb, Bi from 15th group and atoms of S, Se, Te from 16th group of the periodic table were taken into consideration. The lengths of interatomic bonds corresponding to the steadiest states for such were determined. We found that among these new composed structures crystals encountered strong elastic properties. Besides, some of them can possess pyroelectric and piezoelectric properties. Our results can be used for nanoelectronics and nanoelectromechanical devices designing.

Facile "modular assembly" for fast construction of a highly oriented crystalline MOF nanofilm.

Science.gov (United States)

Xu, Gang; Yamada, Teppei; Otsubo, Kazuya; Sakaida, Shun; Kitagawa, Hiroshi

2012-10-10

The preparation of crystalline, ordered thin films of metal-organic frameworks (MOFs) will be a critical process for MOF-based nanodevices in the future. MOF thin films with perfect orientation and excellent crystallinity were formed with novel nanosheet-structured components, Cu-TCPP [TCPP = 5,10,15,20-tetrakis(4-carboxyphenyl)porphyrin], by a new "modular assembly" strategy. The modular assembly process involves two steps: a "modularization" step is used to synthesize highly crystalline "modules" with a nanosized structure that can be conveniently assembled into a thin film in the following "assembly" step. With this method, MOF thin films can easily be set up on different substrates at very high speed with controllable thickness. This new approach also enabled us to prepare highly oriented crystalline thin films of MOFs that cannot be prepared in thin-film form by traditional techniques.

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.

Different alpha crystallin expression in human age-related and congenital cataract lens epithelium.

Science.gov (United States)

Yang, Jing; Zhou, Sheng; Guo, Minfei; Li, Yuting; Gu, Jianjun

2016-05-28

The purpose of this study was to investigate the different expressions of αA-crystallin and αB-crystallin in human lens epithelium of age-related and congenital cataracts. The central part of the human anterior lens capsule approximately 5 mm in diameter together with the adhering epithelial cells, were harvested and processed within 6 hours after cataract surgery from age-related and congenital cataract patients or from normal eyes of fresh cadavers. The mRNA and soluble protein levels of αA-crystallin and αB-crystallin in the human lens epithelium were detected by real-time PCR and western blots, respectively. The mRNA and soluble protein expressions of αA-crystallin and αB-crystallin in the lens epithelium were both reduced in age-related and congenital cataract groups when compared with the normal control group. However, the degree of α-crystallin loss in the lens epithelium was highly correlated with different cataract types. The α-crystallin expression of the lens epithelium was greatly reduced in the congenital cataract group but only moderately decreased in the age-related cataract group. The reduction of αA-crystallin soluble protein levels in the congenital cataract group was approximately 2.4 fold decrease compared with that of the age-related cataract group, while an mRNA fold change of 1.67 decrease was observed for the age-related cataract group. Similarly, the reduction of soluble protein levels of αB-crystallin in the congenital cataract group was approximately a 1.57 fold change compared with that of the age-related cataract group. A 1.75 fold change for mRNA levels compared with that of the age-related cataract group was observed. The results suggest that the differential loss of α-crystallin in the human lens epithelium could be associated with the different mechanisms of cataractogenesis in age-related versus congenital cataracts, subsequently resulting in different clinical presentations.

Xe ion beam induced rippled structures on differently oriented single-crystalline Si surfaces

Energy Technology Data Exchange (ETDEWEB)

Hanisch, Antje; Grenzer, Joerg; Facsko, Stefan [Forschungszentrum Dresden-Rossendorf, Institut fuer Ionenstrahlphysik und Materialforschung, PO Box 510119, 01314 Dresden (Germany); Biermanns, Andreas; Pietsch, Ullrich, E-mail: A.Hanisch@fzd.d [Universitaet Siegen, Festkoerperphysik, 57068 Siegen (Germany)

2010-03-24

We report on Xe{sup +} induced ripple formation at medium energy on single-crystalline silicon surfaces of different orientations using substrates with an intentional miscut from the [0 0 1] direction and a [1 1 1] oriented wafer. The ion beam incidence angle with respect to the surface normal was kept fixed at 65{sup 0} and the ion beam projection was parallel or perpendicular to the [1 1 0] direction. By a combination of atomic force microscopy, x-ray diffraction and high-resolution transmission electron microscopy we found that the features of the surface and subsurface rippled structures such as ripple wavelength and amplitude and the degree of order do not depend on the surface orientation as assumed in recent models of pattern formation for semiconductor surfaces. (fast track communication)

Structure and selectivity trends in crystalline urea-functionalized anion-binding capsules

Energy Technology Data Exchange (ETDEWEB)

Rajbanshi, Arbin [Oak Ridge National Laboratory (ORNL); Custelcean, Radu [ORNL

2012-01-01

A tripodal trisurea receptor (L1) persistently self-assembles with various divalent oxoanion salts M{sub n}X (M = Na, K, Mg, Ca, Cd; X = SO{sub 4}{sup 2-}, SO{sub 3}{sup 2-}, SeO{sub 4}{sup 2-}, CrO{sub 4}{sup 2-}) into isomorphous series of crystalline frameworks in three different compositions: MX(L1){sub 2}(H{sub 2}O){sub 6} (M = Mg, Ca, Cd) (1), Na{sub 2}X(L1){sub 2}(H{sub 2}O){sub 4} (2) and K{sub 2}X(L1){sub 2}(H{sub 2}O){sub 2} (3). Single-crystal X-ray structural analysis revealed that all three series of structures adopt a NaCl-type topology, consisting of alternating anionic X(L1){sub 2}{sup 2-} capsules and M(H{sub 2}O){sub 6}{sup 2+}, Na{sub 2}(H{sub 2}O){sub 4}{sup 2+} or K{sub 2}(H{sub 2}O){sub 2}{sup 2+} hydrated cations. The capsules provide a complementary environment to tetrahedral oxoanions via 12 hydrogen bonds from six urea groups lining the cavities of the capsules. The persistent formation of the capsules facilitated the investigation of structural trends and structure-selectivity relationships across series 1-3. First, it was found that the size of the capsules is relatively unresponsive to the change in the encapsulated anion, resulting in good shape and size recognition in the separation of anions by competitive crystallizations. Second, it was found that the size of the capsules varies linearly with the size of the external cation, which provides a way for tuning the anion encapsulation selectivity. However, no straightforward dependence was found between the size of the capsules and the relative selectivity for different-sized tetrahedral oxoanions in competitive crystallizations.

A crystalline cluster method for deep impurities in insulators

International Nuclear Information System (INIS)

Guimaraes, P.S.

1983-01-01

An 'ab initio' self-consistent-field crystalline-cluster approach to the study of deep impurity states in insulators is proposed. It is shown that, in spite of being a cluster calculation, the interaction of the impurity with the crystal environment is fully taken into account. It is also shown that the present representation of the impurity states is, at least, as precise as the crystalline cluster representation of the pure crystal electronic structure. The procedure has been tested by performing the calculation of the electronic structure of the U center in a sodium chloride crystal, and it has been observed that the calculated GAMMA 1 - GAMMA 15 absorption energy is in good agreement with experiment. (Author) [pt

Growth and Brilliant Photo-Emission of Crystalline Hexagonal Column of Alq3 Microwires

OpenAIRE

Seokho Kim; Do Hyoung Kim; Jinho Choi; Hojin Lee; Sun-Young Kim; Jung Woon Park; Dong Hyuk Park

2018-01-01

We report the growth and nanoscale luminescence characteristics of 8-hydroxyquinolinato aluminum (Alq3) with a crystalline hexagonal column morphology. Pristine Alq3 nanoparticles (NPs) were prepared using a conventional reprecipitation method. Crystal hexagonal columns of Alq3 were grown by using a surfactant-assisted self-assembly technique as an adjunct to the aforementioned reprecipitation method. The formation and structural properties of the crystalline and non-crystalline Alq3 NPs were...

Structural, magnetic and electrical characterization of Mg–Ni nano-crystalline ferrites prepared through egg-white precursor

Energy Technology Data Exchange (ETDEWEB)

Gabal, M.A., E-mail: mgabalabdonada@yahoo.com [Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah (Saudi Arabia); Al Angari, Y.M. [Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah (Saudi Arabia); Zaki, H.M. [Chemistry Department, Faculty of Science, King Abdulaziz University, Jeddah (Saudi Arabia); Physics Department, Faculty of Science, Zagazig University, Zagazig (Egypt)

2014-08-01

Soft Ni–Mg nano-crystalline ferrites with the general formula Ni{sub 1−x}Mg{sub x}Fe{sub 2}O{sub 4} (0≤x≤1) were synthesized through egg-white method. The precursor decomposition was followed by thermal analysis techniques. The obtained ferrites were characterized by X-ray diffraction, Fourier transform infrared and transmission electron microscopy measurements. X-ray diffraction showed the cubic spinel structure with crystallite size variation within the range 20–45 nm. The different structural data obtained were discussed in the view of ionic radii of the entire ions and their distribution within the lattice. The appropriate suggested cation distribution was then confirmed through Fourier transform infrared as well as electrical and magnetic properties measurements. Transmission electron microscopy exhibited a nano-crystal aggregation phenomenon. The observed size of the spherical particles agrees well with that obtained by X-ray diffraction. Hysteresis loop measurements revealed dilution in the obtained magnetic parameters by Mg-substitution due to the preferential occupancy of Mg{sup 2+} ions by the octahedral sites. Ac-electrical conductivity as a function of temperature and frequency exhibited a semi-conducting behavior with conductivity decreases by increasing Mg-content. The change in the slope of the curve indicates the changing in the conduction mechanism from electron hopping to polaron mechanism by increasing temperature. The obtained structural, electrical and magnetic properties were explained based on the cation distribution among tetrahedral and octahedral sites. - Highlights: • Ni–Mg nano-crystalline ferrites were synthesized through egg-white method. • An appropriate cation distribution was suggested. • Conductivity revealed a change in conduction mechanism by increasing temperature. • The effect of Mg-substitution on different properties was studied.

Phosphorylation of αB-crystallin: Role in stress, aging and patho-physiological conditions.

Science.gov (United States)

Bakthisaran, Raman; Akula, Kranthi Kiran; Tangirala, Ramakrishna; Rao, Ch Mohan

2016-01-01

αB-crystallin, once thought to be a lenticular protein, is ubiquitous and has critical roles in several cellular processes that are modulated by phosphorylation. Serine residues 19, 45 and 59 of αB-crystallin undergo phosphorylation. Phosphorylation of S45 is mediated by p44/42 MAP kinase, whereas S59 phosphorylation is mediated by MAPKAP kinase-2. Pathway involved in S19 phosphorylation is not known. The review highlights the role of phosphorylation in (i) oligomeric structure, stability and chaperone activity, (ii) cellular processes such as apoptosis, myogenic differentiation, cell cycle regulation and angiogenesis, and (iii) aging, stress, cardiomyopathy-causing αB-crystallin mutants, and in other diseases. Depending on the context and extent of phosphorylation, αB-crystallin seems to confer beneficial or deleterious effects. Phosphorylation alters structure, stability, size distribution and dynamics of the oligomeric assembly, thus modulating chaperone activity and various cellular processes. Phosphorylated αB-crystallin has a tendency to partition to the cytoskeleton and hence to the insoluble fraction. Low levels of phosphorylation appear to be protective, while hyperphosphorylation has negative implications. Mutations in αB-crystallin, such as R120G, Q151X and 464delCT, associated with inherited myofibrillar myopathy lead to hyperphosphorylation and intracellular inclusions. An ongoing study in our laboratory with phosphorylation-mimicking mutants indicates that phosphorylation of R120GαB-crystallin increases its propensity to aggregate. Phosphorylation of αB-crystallin has dual role that manifests either beneficial or deleterious consequences depending on the extent of phosphorylation and interaction with cytoskeleton. Considering that disease-causing mutants of αB-crystallin are hyperphosphorylated, moderation of phosphorylation may be a useful strategy in disease management. This article is part of a Special Issue entitled Crystallin

Probing the pomeron structure with quasi-real photons

International Nuclear Information System (INIS)

Arteaga-Romero, N.; Kessler, P.

1986-03-01

Following a recent suggestion of Ingelman and Schlein, we here consider the possibility of probing the gluonic structure of the pomeron with quasi-real photons, i.e. in reactions e p → e p + 2 jets + X taking place at an ep collider such as HERA

A novel dominant D109A CRYAB mutation in a family with myofibrillar myopathy affects αB-crystallin structure

Directory of Open Access Journals (Sweden)

Jakub P. Fichna

2017-06-01

Molecular modeling in accordance with muscle biopsy microscopic analyses predicted that D109A mutation influence both structure and function of CRYAB due to decreased stability of oligomers leading to aggregate formation. In consequence disrupted sarcomere cytoskeleton organization might lead to muscle pathology. We also suggest that mutated RQDE sequence of CRYAB could impair CRYAB chaperone-like activity and promote aggregation of lens crystallins.

Relationship Between Crystalline Structure and Hardness of Ti-Si-N-O Coatings Fabricated by dc Sputtering

Science.gov (United States)

García-González, Leandro; Hernández-Torres, Julián; Mendoza-Barrera, Claudia; Meléndez-Lira, Miguel; García-Ramírez, Pedro J.; Martínez-Castillo, Jaime; Sauceda, Ángel; Herrera-May, Agustin L.; Muñoz Saldaña, Juan; Espinoza-Beltrán, Francisco J.

2008-08-01

Ti-Si-N-O coatings were deposited on AISI D2 tool steel and silicon substrates by dc reactive magnetron co-sputtering using a target of Ti-Si with a constant area ratio of 0.2. The substrate temperature was 400 °C and reactive atmosphere of nitrogen and argon. For all samples, argon flow was maintained constant at 25 sccm, while the flow of the nitrogen was varied to analyze the structural changes related to chemical composition and resistivity. According to results obtained by x-ray diffraction and stoichiometry calculations by x-ray energy dispersive spectroscopy the Ti-Si-N-O coatings contain two solid solutions. The higher crystalline part corresponds to titanium oxynitrure. Hardness tests on the coatings were carried out using the indentation work model and the hardness value was determined. Finally, the values of hardness were corroborated by nanoindentation test, and values of Young’s modulus and elastic recovery were discussed. We concluded that F2TSN sample ( F Ar = 25 sccm, F N = 5 sccm, P = 200 W, and P W = 8.9 × 10-3 mbar) presented the greatest hardness and the lowest resistivity values, due to its preferential crystalline orientation.

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

Design of multi materials combining crystalline and amorphous metallic alloys

International Nuclear Information System (INIS)

Volland, A.; Ragani, J.; Liu, Y.; Gravier, S.; Suéry, M.; Blandin, J.J.

2012-01-01

Highlights: ► Elaboration of multi materials associating metallic glasses and conventional crystalline alloys by co-deformation performed at temperatures close to the glass transition temperature of the metallic glasses. ► Elaboration of filamentary metal matrix composites with a core in metallic glass by co extrusion. ► Sandwich structures produced by co-pressing. ► Detection of atomic diffusion from the glass to the crystalline alloys during the processes. ► Good interfaces between the metallic glasses and the crystalline alloys, as confirmed by mechanical characterisation. - Abstract: Multi materials, associating zirconium based bulk metallic glasses and crystalline metallic alloys like magnesium alloys or copper are elaborated by co-deformation processing performed in the supercooled liquid regions (SLR) of the bulk metallic glasses. Two processes are investigated: co-extrusion and co-pressing. In the first case, filamentary composites with various designs can be produced whereas in the second case sandwich structures are obtained. The experimental window (temperature, time) in which processing can be carried out is directly related to the crystallisation resistance of the glass which requires getting information about the crystallisation conditions in the selected metallic glasses. Thermoforming windows are identified for the studied BMGs by thermal analysis and compression tests in their SLR. The mechanical properties of the produced multi materials are investigated thanks to specifically developed mechanical devices and the interfaces between the amorphous and the crystalline alloys are characterised.

EELS from organic crystalline materials

International Nuclear Information System (INIS)

Brydson, R; Seabourne, C R; Hondow, N; Eddleston, M D; Jones, W

2014-01-01

We report the use of the electron energy loss spectroscopy (EELS) for providing light element chemical composition information from organic, crystalline pharmaceutical materials including theophylline and paracetamol and discuss how this type of data can complement transmission electron microscopy (TEM) imaging and electron diffraction when investigating polymorphism. We also discuss the potential for the extraction of bonding information using electron loss near-edge structure (ELNES)

NaTaO3 photocatalysts of different crystalline structures for water splitting into H2 and O2

International Nuclear Information System (INIS)

Lin, W.-H.; Cheng, C.; Hu, C.-C.; Teng, H.

2006-01-01

Perovskite-type NaTaO 3 derived from a sol-gel synthesis exhibited a larger surface area and a remarkably higher photocatalytic activity in water splitting than the solid-state synthesized NaTaO 3 . The sol-gel and solid-state NaTaO 3 had different crystalline structures of monoclinic P2/m and orthorhombic Pcmn, respectively. Diffuse reflectance spectra showed that the sol-gel specimen had a slightly larger band gap. The band structure analysis revealed an indirect band gap for the sol-gel NaTaO 3 , contrary to the direct band gap of the solid-state one. The difference in the electronic structure and surface area explained the higher photocatalytic activity of the sol-gel NaTaO 3

Selective detection of crystalline cellulose in plant cell walls with sum-frequency-generation (SFG) vibration spectroscopy.

Science.gov (United States)

Barnette, Anna L; Bradley, Laura C; Veres, Brandon D; Schreiner, Edward P; Park, Yong Bum; Park, Junyeong; Park, Sunkyu; Kim, Seong H

2011-07-11

The selective detection of crystalline cellulose in biomass was demonstrated with sum-frequency-generation (SFG) vibration spectroscopy. SFG is a second-order nonlinear optical response from a system where the optical centrosymmetry is broken. In secondary plant cell walls that contain mostly cellulose, hemicellulose, and lignin with varying concentrations, only certain vibration modes in the crystalline cellulose structure can meet the noninversion symmetry requirements. Thus, SFG can be used to detect and analyze crystalline cellulose selectively in lignocellulosic biomass without extraction of noncellulosic species from biomass or deconvolution of amorphous spectra. The selective detection of crystalline cellulose in lignocellulosic biomass is not readily achievable with other techniques such as XRD, solid-state NMR, IR, and Raman analyses. Therefore, the SFG analysis presents a unique opportunity to reveal the cellulose crystalline structure in lignocellulosic biomass.

Damage characterization for particles filled semi-crystalline polymer

Directory of Open Access Journals (Sweden)

Lauro Franck

2015-01-01

Full Text Available Damage evolution and characterization in semi-crystalline polymer filled with particles under various loadings is still a challenge. A specific damage characterization method using Digital Image Correlation is proposed for a wide range of strain rates considering tensile tests with hydraulic jacks as well as Hopkinson's bars. This damage measurement is obtained by using and adapting the SEE method [1] which was developed to characterize the behaviour laws at constant strain rates of polymeric materials in dynamic. To validate the characterization process, various damage measurement techniques are used under quasi-static conditions before to apply the procedure in dynamic. So, the well-known damage characterization by loss of stiffness technique under quasi-static loading is applied to a polypropylene. In addition, an in-situ tensile test, carried out in a microtomograph, is used to observe the cavitation phenomenon in real time. A good correlation is obtained between all these techniques and consequently the proposed technique is supposed suitable for measuring the ductile damage observed in semi-crystalline polymers under dynamic loading. By applying it to the semi-crystalline polymer at moderate and high speed loadings, the damage evolution is measured and it is observed that the damage evolution is not strain rate dependent but the failure strain on the contrary is strain rate dependent.

Long-term real-time structural health monitoring using wireless smart sensor

Science.gov (United States)

Jang, Shinae; Mensah-Bonsu, Priscilla O.; Li, Jingcheng; Dahal, Sushil

2013-04-01

Improving the safety and security of civil infrastructure has become a critical issue for decades since it plays a central role in the economics and politics of a modern society. Structural health monitoring of civil infrastructure using wireless smart sensor network has emerged as a promising solution recently to increase structural reliability, enhance inspection quality, and reduce maintenance costs. Though hardware and software framework are well prepared for wireless smart sensors, the long-term real-time health monitoring strategy are still not available due to the lack of systematic interface. In this paper, the Imote2 smart sensor platform is employed, and a graphical user interface for the long-term real-time structural health monitoring has been developed based on Matlab for the Imote2 platform. This computer-aided engineering platform enables the control, visualization of measured data as well as safety alarm feature based on modal property fluctuation. A new decision making strategy to check the safety is also developed and integrated in this software. Laboratory validation of the computer aided engineering platform for the Imote2 on a truss bridge and a building structure has shown the potential of the interface for long-term real-time structural health monitoring.

Naturally occurring crystalline phases: analogues for radioactive waste forms

International Nuclear Information System (INIS)

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

1981-01-01

Naturally occurring mineral analogues to crystalline phases that are constituents of crystalline radioactive waste forms provide a basis for comparison by which the long-term stability of these phases may be estimated. The crystal structures and the crystal chemistry of the following natural analogues are presented: baddeleyite, hematite, nepheline; pollucite, scheelite;sodalite, spinel, apatite, monazite, uraninite, hollandite-priderite, perovskite, and zirconolite. For each phase in geochemistry, occurrence, alteration and radiation effects are described. A selected bibliography for each phase is included

Naturally occurring crystalline phases: analogues for radioactive waste forms

Energy Technology Data Exchange (ETDEWEB)

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

1981-01-01

Naturally occurring mineral analogues to crystalline phases that are constituents of crystalline radioactive waste forms provide a basis for comparison by which the long-term stability of these phases may be estimated. The crystal structures and the crystal chemistry of the following natural analogues are presented: baddeleyite, hematite, nepheline; pollucite, scheelite;sodalite, spinel, apatite, monazite, uraninite, hollandite-priderite, perovskite, and zirconolite. For each phase in geochemistry, occurrence, alteration and radiation effects are described. A selected bibliography for each phase is included.

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)

Modification of dielectric function and electronic structure of the alloys at the phase transformation amorphous-crystalline state

International Nuclear Information System (INIS)

Belij, M.U.; Poperenko, L.V.; Shajkevich, I.A.; Karpusha, V.D.; Kravets, V.G.

1989-01-01

The relation between the features of the optical spectrum and the electronic structure parameters for non-crystalline nickel- and iron-based alloys is not yet precisely found. Therefore the main purpose of the study consists in investigation of the basic metal band structure modification at metalloid alloying. The density of electron states N(E) and structural parameters of amorphous alloys nickel-M, iron-M, Fe-TM-M (M - metalloid B,Si,C; TM - transition metal 3d (Ti,V,Cr,Mn,Co,Ni), 4d (Nb,Mo), 5d (Hf,Ta,W) and their transformation changes from amorphous (AS) to crystalline state (CS) have been determined. The methods of ellipsometry, Auger-spectroscopy and X-ray absorption spectroscopy are used. The function N(E) of the Ni- and Fe-based alloys has shown 4 density-of-states peaks, one of them located above the Fermi level E F and the others - below it. The observed features of the absorbed spectra of Ni-M (M = B,P) are related both to the interband transition from the levels falling into the occupied peaks of N(E) to the levels at E F , and to the 1-peak-states. When B increases the distance between 1-peak and E F decreases. With introduction of the TM atoms into Fe-B the impurities states related to them are formed above E F . From the X-ray data the cluster with nonhomogeneous electronic density for FeBSi (7.0 nm) and FeNbBSi (7.0 and 4.2 nm along and transverse to foil respectively) are estimated. The frequencies of relaxation and plasma oscillations are also calculated. (author)

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

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.

Comparison of the electronic structure of amorphous versus crystalline indium gallium zinc oxide semiconductor: structure, tail states and strain effects

International Nuclear Information System (INIS)

De Jamblinne de Meux, A; Genoe, J; Heremans, P; Pourtois, G

2015-01-01

We study the evolution of the structural and electronic properties of crystalline indium gallium zinc oxide (IGZO) upon amorphization by first-principles calculation. The bottom of the conduction band (BCB) is found to be constituted of a pseudo-band of molecular orbitals that resonate at the same energy on different atomic sites. They display a bonding character between the s orbitals of the metal sites and an anti-bonding character arising from the interaction between the oxygen and metal s orbitals. The energy level of the BCB shifts upon breaking of the crystal symmetry during the amorphization process, which may be attributed to the reduction of the coordination of the cationic centers. The top of the valence band (TVB) is constructed from anti-bonding oxygen p orbitals. In the amorphous state, they have random orientation, in contrast to the crystalline state. This results in the appearance of localized tail states in the forbidden gap above the TVB. Zinc is found to play a predominant role in the generation of these tail states, while gallium hinders their formation. Last, we study the dependence of the fundamental gap and effective mass of IGZO on mechanical strain. The variation of the gap under strain arises from the enhancement of the anti-bonding interaction in the BCB due to the modification of the length of the oxygen–metal bonds and/or to a variation of the cation coordination. This effect is less pronounced for the amorphous material compared to the crystalline material, making amorphous IGZO a semiconductor of choice for flexible electronics. Finally, the effective mass is found to increase upon strain, in contrast to regular materials. This counterintuitive variation is due to the reduction of the electrostatic shielding of the cationic centers by oxygen, leading to an increase of the overlaps between the metal orbitals at the origin of the delocalization of the BCB. For the range of strain typically met in flexible electronics, the induced

Determination of the crystalline structure of scale solids from the 16H evaporator gravity drain line to tank 38H

Energy Technology Data Exchange (ETDEWEB)

Oji, L. N. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

2015-10-01

August 2015, scale solids from the 16H Evaporator Gravity Drain Line (GDL) to the Tank 38H were delivered to SRNL for analysis. The desired analytical goal was to identify and confirm the crystalline structure of the scale material and determine if the form of the aluminosilicate mineral was consistent with previous analysis of the scale material from the GDL.

Structure and method for controlling band offset and alignment at a crystalline oxide-on-semiconductor interface

Science.gov (United States)

McKee, Rodney A.; Walker, Frederick J.

2003-11-25

A crystalline oxide-on-semiconductor structure and a process for constructing the structure involves a substrate of silicon, germanium or a silicon-germanium alloy and an epitaxial thin film overlying the surface of the substrate wherein the thin film consists of a first epitaxial stratum of single atomic plane layers of an alkaline earth oxide designated generally as (AO).sub.n and a second stratum of single unit cell layers of an oxide material designated as (A'BO.sub.3).sub.m so that the multilayer film arranged upon the substrate surface is designated (AO).sub.n (A'BO.sub.3).sub.m wherein n is an integer repeat of single atomic plane layers of the alkaline earth oxide AO and m is an integer repeat of single unit cell layers of the A'BO.sub.3 oxide material. Within the multilayer film, the values of n and m have been selected to provide the structure with a desired electrical structure at the substrate/thin film interface that can be optimized to control band offset and alignment.

Nonlinear laser pulse response in a crystalline lens.

Science.gov (United States)

Sharma, R P; Gupta, Pradeep Kumar; Singh, Ram Kishor; Strickland, D

2016-04-01

The propagation characteristics of a spatial Gaussian laser pulse have been studied inside a gradient-index structured crystalline lens with constant-density plasma generated by the laser-tissue interaction. The propagation of the laser pulse is affected by the nonlinearities introduced by the generated plasma inside the crystalline lens. Owing to the movement of plasma species from a higher- to a lower-temperature region, an increase in the refractive index occurs that causes the focusing of the laser pulse. In this study, extended paraxial approximation has been applied to take into account the evolution of the radial profile of the Gaussian laser pulse. To examine the propagation characteristics, variation of the beam width parameter has been observed as a function of the laser power and initial beam radius. The cavitation bubble formation, which plays an important role in the restoration of the elasticity of the crystalline lens, has been investigated.

Real-Time Impact Visualization Inspection of Aerospace Composite Structures with Distributed Sensors.

Science.gov (United States)

Si, Liang; Baier, Horst

2015-07-08

For the future design of smart aerospace structures, the development and application of a reliable, real-time and automatic monitoring and diagnostic technique is essential. Thus, with distributed sensor networks, a real-time automatic structural health monitoring (SHM) technique is designed and investigated to monitor and predict the locations and force magnitudes of unforeseen foreign impacts on composite structures and to estimate in real time mode the structural state when impacts occur. The proposed smart impact visualization inspection (IVI) technique mainly consists of five functional modules, which are the signal data preprocessing (SDP), the forward model generator (FMG), the impact positioning calculator (IPC), the inverse model operator (IMO) and structural state estimator (SSE). With regard to the verification of the practicality of the proposed IVI technique, various structure configurations are considered, which are a normal CFRP panel and another CFRP panel with "orange peel" surfaces and a cutout hole. Additionally, since robustness against several background disturbances is also an essential criterion for practical engineering demands, investigations and experimental tests are carried out under random vibration interfering noise (RVIN) conditions. The accuracy of the predictions for unknown impact events on composite structures using the IVI technique is validated under various structure configurations and under changing environmental conditions. The evaluated errors all fall well within a satisfactory limit range. Furthermore, it is concluded that the IVI technique is applicable for impact monitoring, diagnosis and assessment of aerospace composite structures in complex practical engineering environments.

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

Lie group structures on automorphism groups of real-analytic CR manifolds

OpenAIRE

ZAITSEV, DMITRI

2008-01-01

PUBLISHED Given any real-analytic CR manifold M, we provide general conditions on M guar- anteeing that the group of all its global real-analytic CR automorphisms AutCR(M) is a Lie group (in an appropriate topology). In particular, we obtain a Lie group structure for AutCR(M) when M is an arbitrary compact real-analytic hypersurface embedded in some Stein manifold. The first author was supported by the Austrian Science Fund FWF, Project P17111 and Project P19667. The second ...

Comparison of slowness profiles of lamb wave with elastic moduli and crystal structure in single crystalline silicon wafers

Energy Technology Data Exchange (ETDEWEB)

Min, Young Jae; Yun, Gyeong Won; Kim, Kyung Min; Roh, Yuji; Kim, Young H. [Applied Acoustics Lab, Korea Science Academy of KAIST, Busan (Korea, Republic of)

2016-02-15

Single crystalline silicon wafers having (100), (110), and (111) directions are employed as specimens for obtaining slowness profiles. Leaky Lamb waves (LLW) from immersed wafers were detected by varying the incident angles of the specimens and rotating the specimens. From an analysis of LLW signals for different propagation directions and phase velocities of each specimen, slowness profiles were obtained, which showed a unique symmetry with different symmetric axes. Slowness profiles were compared with elastic moduli of each wafer. They showed the same symmetries as crystal structures. In addition, slowness profiles showed expected patterns and values that can be inferred from elastic moduli. This implies that slowness profiles can be used to examine crystal structures of anisotropic solids.

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

Quantitative determination of the crystalline phases of the ceramic materials utilizing the Rietveld method

International Nuclear Information System (INIS)

Kniess, C.T.; Prates, P.B.; Lima, J.C. de; Kuhnen, N.C.; Riella, H.G.; Maliska, A.M.

2009-01-01

Ceramic materials have properties defined by their chemical and micro-structural composition. The quantification of the crystalline phases is a fundamental stage in the determination of the structure, properties and applications of a ceramic material. Within this context, this study aims is the quantitative determination of the crystalline phases of the ceramic materials developed with addition of mineral coal bottom ash, utilizing the X ray diffraction technique, through the method proposed by Rietveld. For the formulation of the ceramic mixtures a {3,3} simplex-lattice design was used, giving ten formulations of three components (two different types of clays and coal bottom ash). The crystalline phases identified in the ceramic materials after sintering at 1150 deg C during two hours are: quartz, tridimite, mullite and hematite. The proposed methodology utilizing the Rietveld method for the quantification relating to crystalline phases of the materials was shown to be adequate and efficient. (author)

Crystalline structure of polypropylene in blends with thermoplastic elastomers after electron beam irradiation

International Nuclear Information System (INIS)

Steller, Ryszard; Zuchowska, Danuta; Meissner, Wanda; Paukszta, Dominik; Garbarczyk, Jozef

2006-01-01

Isotactic polypropylene (PP) was blended in extruder with 0-50% addition of styrene-ethylene/butylene-styrene (SEBS) and styrene-butadiene-styrene (SBS) block copolymers. Granulated blends were irradiated with electron beam (60 kGy) and 1 week later processed with injection molding machine. Properties of samples molded from irradiated and non-irradiated granulates were investigated using DSC, WAXS, MFR, SEM and mechanical and solubility tests. It was found that the SEBS based systems are more resistant to irradiation in comparison to similar blends with SBS copolymer. Such behavior can be explained by the presence of double bonds in elastic SBS block. Irradiation of PP-SBS blends leads to considerable structure changes of crystalline and amorphous PP phases and elastic SBS phase. It indicates creation of new (inter)phase consisting of products of grafting and cross-linking reactions. Irradiated PP-SBS blends show significant improvement of impact strength at low temperatures

Real-Time 3D Profile Measurement Using Structured Light

International Nuclear Information System (INIS)

Xu, L; Zhang, Z J; Ma, H; Yu, Y J

2006-01-01

The paper builds a real-time system of 3D profile measurement using structured-light imaging. It allows a hand-held object to rotate free in the space-time coded light field, which is projected by the projector. The surface of measured objects with projected coded light is imaged; the system shows surface reconstruction results of objects online. This feedback helps user to adjust object's pose in the light field according to the dismissed or error data, which would achieve the integrality of data used in reconstruction. This method can acquire denser data cloud and have higher reconstruction accuracy and efficiency. According to the real-time requirements, the paper presents the non-restricted light plane modelling which suits stripe structured light system, designs the three-frame stripes space-time coded pattern, and uses the advance ICP algorithms to acquire 3D data alignment from multiple view

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.

Structural features that predict real-value fluctuations of globular proteins.

Science.gov (United States)

Jamroz, Michal; Kolinski, Andrzej; Kihara, Daisuke

2012-05-01

It is crucial to consider dynamics for understanding the biological function of proteins. We used a large number of molecular dynamics (MD) trajectories of nonhomologous proteins as references and examined static structural features of proteins that are most relevant to fluctuations. We examined correlation of individual structural features with fluctuations and further investigated effective combinations of features for predicting the real value of residue fluctuations using the support vector regression (SVR). It was found that some structural features have higher correlation than crystallographic B-factors with fluctuations observed in MD trajectories. Moreover, SVR that uses combinations of static structural features showed accurate prediction of fluctuations with an average Pearson's correlation coefficient of 0.669 and a root mean square error of 1.04 Å. This correlation coefficient is higher than the one observed in predictions by the Gaussian network model (GNM). An advantage of the developed method over the GNMs is that the former predicts the real value of fluctuation. The results help improve our understanding of relationships between protein structure and fluctuation. Furthermore, the developed method provides a convienient practial way to predict fluctuations of proteins using easily computed static structural features of proteins. Copyright © 2012 Wiley Periodicals, Inc.

Disorder-induced localization in crystalline phase-change materials.

Science.gov (United States)

Siegrist, T; Jost, P; Volker, H; Woda, M; Merkelbach, P; Schlockermann, C; Wuttig, M

2011-03-01

Localization of charge carriers in crystalline solids has been the subject of numerous investigations over more than half a century. Materials that show a metal-insulator transition without a structural change are therefore of interest. Mechanisms leading to metal-insulator transition include electron correlation (Mott transition) or disorder (Anderson localization), but a clear distinction is difficult. Here we report on a metal-insulator transition on increasing annealing temperature for a group of crystalline phase-change materials, where the metal-insulator transition is due to strong disorder usually associated only with amorphous solids. With pronounced disorder but weak electron correlation, these phase-change materials form an unparalleled quantum state of matter. Their universal electronic behaviour seems to be at the origin of the remarkable reproducibility of the resistance switching that is crucial to their applications in non-volatile-memory devices. Controlling the degree of disorder in crystalline phase-change materials might enable multilevel resistance states in upcoming storage devices.

Real-Time Structural Overload Control via Control Allocation Optimization Project

Data.gov (United States)

National Aeronautics and Space Administration — This control methodology utilizes real-time vehicle structural load and shape measurements to actively respond to and protect against vehicle damage due to...

Moessbauer investigation of static-disorder crystalline media. V. Hyperfine fields' dispersion in static-disordered crystalline media of tetragonal and trigonal iron germanates

International Nuclear Information System (INIS)

Constantinescu, S.

2007-01-01

The refined 57 Fe Moessbauer spectra of some static-disordered crystalline media (with melilite and Ca-gallate structure) evidenced observable electric and magnetic crystal field dispersions. It is the fifth in a series of papers published previously in the same journal on this subject. The data of crystalline hyperfine fields and their dispersion parameters have calculated using the modeling procedure given in a paper by Kaminskii, et al. published in 1986. The obtained values of the magnetic and quadrupole splitting parameters compared with to experimental data showed the possibility to predict the crystal fields' dispersion. (author)

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

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.

Structural Analysis of Aromatic Liquid Crystalline Polyesters

Directory of Open Access Journals (Sweden)

Arpad Somogyi

2011-01-01

Full Text Available Laboratory preparations of liquid crystalline prepolymers, distillates accompanying prepolymers, final polymers, and sublimates accompanying final polymers were examined. NaOD/D2O depolymerization of prepolymers and polymers back to monomers with integration of the 1H NMR spectra showed up to 6% excess of carboxyls over phenol groups, caused partly by loss of the low-boiling comonomer hydroquinone through distillation during prepolymerization and leaving anhydride units in the polymer chain. ESI− MS and MS/MS of hexafluoroisopropanol extracts of the prepolymer detected small molecules including some containing anhydride groups; ESI+ MS showed the presence of small cyclic oligomers. 1H NMR (including TOCSY spectra provided more quantitative analyses of these oligomers. The final polymerization increases the length of the polymer chains and sublimes out the small oligomers. Anhydride linkages remaining in the polymer must make LCP’s more susceptible to degradation by nucleophilic reagents such as water, alkalis, and amines.

Hydrogen-related effects in crystalline semiconductors

International Nuclear Information System (INIS)

Haller, E.E.

1988-08-01

Recent experimental and theoretical information regarding the states of hydrogen in crystalline semiconductors is reviewed. The abundance of results illustrates that hydrogen does not preferentially occupy a few specific lattice sites but that it binds to native defects and impurities, forming a large variety of neutral and electrically active complexes. The study of hydrogen passivated shallow acceptors and donors and of partially passivated multivalent acceptors has yielded information on the electronic and real space structure and on the chemical composition of these complexes. Infrared spectroscopy, ion channeling, hydrogen isotope substitution and electric field drift experiments have shown that both static trigonal complexes as well as centers with tunneling hydrogen exist. Total energy calculations indicate that the charge state of the hydrogen ion which leads to passivation dominates, i.e., H + in p-type and H/sup /minus// in n-type crystals. Recent theoretical calculations indicate that is unlikely for a large fraction of the atomic hydrogen to exist in its neutral state, a result which is consistent with the total absence of any Electron Paramagnetic Resonance (EPR) signal. An alternative explanation for this result is the formation of H 2 . Despite the numerous experimental and theoretical results on hydrogen-related effects in Ge and Si there remains a wealth of interesting physics to be explored, especially in compound and alloy semiconductors. 6 refs., 6 figs

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.

Biomimetic processing of oriented crystalline ceramic layers

Energy Technology Data Exchange (ETDEWEB)

Cesarano, J.; Shelnutt, J.A.

1997-10-01

The aim of this project was to develop the capabilities for Sandia to fabricate self assembled Langmuir-Blodgett (LB) films of various materials and to exploit their two-dimensional crystalline structure to promote the growth of oriented thin films of inorganic materials at room temperature. This includes the design and synthesis of Langmuir-active (amphiphilic) organic molecules with end groups offering high nucleation potential for various ceramics. A longer range goal is that of understanding the underlying principles, making it feasible to use the techniques presented in this report to fabricate unique oriented films of various materials for electronic, sensor, and membrane applications. Therefore, whenever possible, work completed in this report was completed with the intention of addressing the fundamental phenomena underlying the growth of crystalline, inorganic films on template layers of highly organized organic molecules. This problem was inspired by biological processes, which often produce exquisitely engineered structures via templated growth on polymeric layers. Seashells, for example, exhibit great toughness owing to their fine brick-and-mortar structure that results from templated growth of calcium carbonate on top of layers of ordered organic proteins. A key goal in this work, therefore, is to demonstrate a positive correlation between the order and orientation of the template layer and that of the crystalline ceramic material grown upon it. The work completed was comprised of several parallel efforts that encompassed the entire spectrum of biomimetic growth from solution. Studies were completed on seashells and the mechanisms of growth for calcium carbonate. Studies were completed on the characterization of LB films and the capability developed for the in-house fabrication of these films. Standard films of fatty acids were studied as well as novel polypeptides and porphyrins that were synthesized.

Self-stress control of real civil engineering tensegrity structures

Science.gov (United States)

Kłosowska, Joanna; Obara, Paulina; Gilewski, Wojciech

2018-01-01

The paper introduces the impact of the self-stress level on the behaviour of the tensegrity truss structures. Displacements for real civil engineering tensegrity structures are analysed. Full-scale tensegrity tower Warnow Tower which consists of six Simplex trusses is considered in this paper. Three models consisting of one, two and six modules are analysed. The analysis is performed by the second and third order theory. Mathematica software and Sofistik programme is applied to the analysis.

Real-time transmission electron microscope observation of gold nanoclusters diffusing into silicon at room temperature

International Nuclear Information System (INIS)

Ishida, Tadashi; Nakajima, Yuuki; Fujita, Hiroyuki; Endo, Junji; Collard, Dominique

2009-01-01

Gold diffusion into silicon at room temperature was observed in real time with atomic resolution. Gold nanoclusters were formed on a silicon surface by an electrical discharge between a silicon tip and a gold coated tip inside an ultrahigh-vacuum transmission electron microscope (TEM) specimen chamber. At the moment of the gold nanocluster deposition, the gold nanoclusters had a crystalline structure. The crystalline structure gradually disappeared due to the interdiffusion between silicon and gold as observed after the deposition of gold nanoclusters. The shape of the nanocluster gradually changed due to the gold diffusion into the damaged silicon. The diffusion front between silicon and gold moved toward the silicon side. From the observations of the diffusion front, the gold diffusivity at room temperature was extracted. The extracted activation energy, 0.21 eV, matched the activation energy in bulk diffusion between damaged silicon and gold. This information is useful for optimizing the hybridization between solid-state and biological nanodevices in which gold is used as an adhesive layer between the two devices.

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

The Effect of PtRuIr Nanoparticle Crystallinity in Electrocatalytic Methanol Oxidation

Directory of Open Access Journals (Sweden)

Vladimir Linkov

2013-04-01

Full Text Available Two structural forms of a ternary alloy PtRuIr/C catalyst, one amorphous and one highly crystalline, were synthesized and compared to determine the effect of their respective structures on their activity and stability as anodic catalysts in methanol oxidation. Characterization techniques included TEM, XRD, and EDX. Electrochemical analysis using a glassy carbon disk electrode for cyclic voltammogram and chronoamperometry were tested in a solution of 0.5 mol L−1 CH3OH and 0.5 mol L−1 H2SO4. Amorphous PtRuIr/C catalyst was found to have a larger electrochemical surface area, while the crystalline PtRuIr/C catalyst had both a higher activity in methanol oxidation and increased CO poisoning rate. Crystallinity of the active alloy nanoparticles has a big impact on both methanol oxidation activity and in the CO poisoning rate.

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.

Applications of high resolution NMR to geochemistry: crystalline, glass, and molten silicates

International Nuclear Information System (INIS)

Schneider, E.

1985-11-01

The nuclear spin interactions and the associated quantum mechanical dynamics which are present in solid state NMR are introduced. A brief overview of aluminosilicate structure is presented and crystalline structure is then reviewed, with emphasis on the contributions made by 29 Si NMR spectroscopy. The local structure of glass aluminosilicates as observed by NMR, is presented with analysis of the information content of 29 Si spectra. A high-temperature (to 1300 0 C) NMR spectroscopic investigation of the local environment and dynamics of molecular motion in molten aluminosilicates is described. A comparison is made of silicate liquid, glass, and crystalline local structure. The atomic and molecular motions present in a melt are investigated through relaxation time (T 1 and T 2 ) measurements as a function of composition and temperature for 23 Na and 29 Si

Solar assisted alkali pretreatment of garden biomass: Effects on lignocellulose degradation, enzymatic hydrolysis, crystallinity and ultra-structural changes in lignocellulose

International Nuclear Information System (INIS)

Gabhane, Jagdish; William, S.P.M. Prince; Vaidya, Atul N.; Das, Sera; Wate, Satish R.

2015-01-01

Highlights: • SAAP is an efficient and economic means of pretreatment. • SAAP was found to be efficient in lignin and hemicellulose removal. • SAAP enhanced the enzymatic hydrolysis. • FTIR, XRD and SEM provided vivid understanding about the mode of action of SAAP. • Mass balance closer of 98% for pretreated GB confirmed the reliability of SAAP. - Abstract: A comprehensive study was carried out to assess the effectiveness of solar assisted alkali pretreatment (SAAP) on garden biomass (GB). The pretreatment efficiency was assessed based on lignocellulose degradation, conversion of cellulose into reducing sugars, changes in the ultra-structure and functional groups of lignocellulose and impact on the crystallinity of cellulose, etc. SAAP was found to be efficient for the removal of lignin and hemicellulose that facilitated enzymatic hydrolysis of cellulose. FTIR and XRD studies provided details on the effectiveness of SAAP on lignocellulosic moiety and crystallinity of cellulose. Scanning electron microscopic analysis showed ultra-structural disturbances in the microfibrils of GB as a result of pretreatment. The mass balance closer of 97.87% after pretreatment confirmed the reliability of SAAP pretreatment. Based on the results, it is concluded that SAAP is not only an efficient means of pretreatment but also economical as it involved no energy expenditure for heat generation during pretreatment

Influence of Silver and Gold Nanoparticles and Thin Layers on Charge Carrier Generation in InGaN/GaN Multiple Quantum Well Structures and Crystalline Zinc Oxide Films

Science.gov (United States)

Mezdrogina, M. M.; Vinogradov, A. Ya.; Kozhanova, Yu. V.; Levitskii, V. S.

2018-04-01

It has been shown that Ag and Au nanoparticles and thin layers influence charge carrier generation in InGaN/GaN multiple quantum well structures and crystalline ZnO films owing to the surface morphology heterogeneity of the semiconductors. When nanoparticles 10 films, the radiation intensity has turned out to grow considerably because of a plasmon resonance with the participation of localized plasmons. The application of Ag or Au layers on the surface of the structures strongly attenuates the radiation. When Ag and Au nanoparticles are applied on crystalline ZnO films obtained by rf magnetron sputtering, the radiation intensity in the short-wavelength part of the spectrum increases insignificantly because of their highly heterogeneous surface morphology.

Melting behavior of a model molecular crystalline GeI4

International Nuclear Information System (INIS)

Fuchizaki, Kazuhiro; Asano, Yuta

2015-01-01

A model molecular crystalline GeI 4 was examined using molecular dynamics simulation. The model was constructed in such a way that rigid tetrahedral molecules interact with each other via Lennard-Jones potentials whose centers are located at the vertices of a tetrahedron. Because no other interaction that can “soften” the intermolecular interaction was introduced, the melting curve of the model crystalline material does not exhibit the anomaly that was found for the real substance. However, the current investigation is useful in that it could settle the upper bound of pressure below which the model can predict properties of the molecular liquid. Moreover, singularity-free nature of the melting curve allowed us to analytically treat the melting curve in the light of the Kumari-Dass-Kechin equation. As a result, we could definitely conclude that the well-known Simon equation for the melting curve is merely an approximate expression. The condition for the validity of Simon’s equation was identified. (author)

Liquid crystalline epoxy nanocomposite material for dental application.

Science.gov (United States)

Tai, Yun-Yuan; Hsu, Sheng-Hao; Chen, Rung-Shu; Su, Wei-Fang; Chen, Min-Huey

2015-01-01

Novel liquid crystalline epoxy nanocomposites, which exhibit reduced polymerization shrinkage and effectively bond to tooth structures, can be applied in esthetic dentistry, including core and post systems, direct and indirect restorations, and dental brackets. The purposes of this study were to investigate the properties of liquid crystalline epoxy nanocomposites including biocompatibility, microhardness, and frictional forces of bracket-like blocks with different filler contents for further clinical applications. In this study, we evaluated liquid crystalline epoxy nanocomposite materials that exhibited various filler contents, by assessing their cell activity performance using a 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay and their microhardness with or without thermocycling. We also evaluated the frictional force between bracket-like duplicates and commercially available esthetic bracket systems using Instron 5566. The liquid crystalline epoxy nanocomposite materials showed good biocompatibility. The materials having high filler content demonstrated greater microhardness compared with commercially available bracket materials, before and after the thermocycling treatment. Thus, manufacturing processes are important to reduce frictional force experienced by orthodontic brackets. The microhardness of the bracket-like blocks made by our new material is superior to the commercially available brackets, even after thermocycling. Our results indicate that the evaluated liquid crystalline epoxy nanocomposite materials are of an appropriate quality for application in dental core and post systems and in various restorations. By applying technology to refine manufacturing processes, these new materials could also be used to fabricate esthetic brackets for orthodontic treatment. Copyright © 2014. Published by Elsevier B.V.

Study by X-ray diffraction of the crystalline structure versus time of a radioactive implanted coral and of a non radioactive implanted coral

International Nuclear Information System (INIS)

Irigaray, J.L.; Oudadesse, H.; Sauvage, T.; El Fadl, H.

1993-01-01

The corals used as biomaterials in bone surgery consist of 98% calcium carbonate in the form of aragonite and have orthorhombic crystalline structure. This structure changes progressively into a bone structure in an hexagonal form when the coral is implanted in cortical or spongy surroundings. For this experiment, a radioactive and a non radioactive coral have been implanted in the metaphysics of the ovine femur. The transformation of the orthorhombic structure into the hexagonal bone structure has been studied for the two types of implant. This makes it possible to verify if radioactivity modifies the process of transformation of the implanted biocoral. (K.A.) 3 refs.; 7 figs

Study by X-ray diffraction of the crystalline structure versus time of a radioactive implanted coral and of a non radioactive implanted coral

Energy Technology Data Exchange (ETDEWEB)

Irigaray, J.L.; Oudadesse, H.; Sauvage, T.; El Fadl, H. [Clermont-Ferrand-2 Univ., 63 - Aubiere (France). Lab. de Physique Corpusculaire; Lefevre, J.; Barlet, J.P. [Institut National de Recherches Agronomiques, 63 -Saint-Genes-Champanelle (France)

1993-12-31

The corals used as biomaterials in bone surgery consist of 98% calcium carbonate in the form of aragonite and have orthorhombic crystalline structure. This structure changes progressively into a bone structure in an hexagonal form when the coral is implanted in cortical or spongy surroundings. For this experiment, a radioactive and a non radioactive coral have been implanted in the metaphysics of the ovine femur. The transformation of the orthorhombic structure into the hexagonal bone structure has been studied for the two types of implant. This makes it possible to verify if radioactivity modifies the process of transformation of the implanted biocoral. (K.A.) 3 refs.; 7 figs.

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

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

Alloy with metallic glass and quasi-crystalline properties

Science.gov (United States)

Xing, Li-Qian; Hufnagel, Todd C.; Ramesh, Kaliat T.

2004-02-17

An alloy is described that is capable of forming a metallic glass at moderate cooling rates and exhibits large plastic flow at ambient temperature. Preferably, the alloy has a composition of (Zr, Hf).sub.a Ta.sub.b Ti.sub.c Cu.sub.d Ni.sub.e Al.sub.f, where the composition ranges (in atomic percent) are 45.ltoreq.a.ltoreq.70, 3.ltoreq.b.ltoreq.7.5, 0.ltoreq.c.ltoreq.4, 3.ltoreq.b+c.ltoreq.10, 10.ltoreq.d.ltoreq.30, 0.ltoreq.e.ltoreq.20, 10.ltoreq.d+e.ltoreq.35, and 5.ltoreq.f.ltoreq.15. The alloy may be cast into a bulk solid with disordered atomic-scale structure, i.e., a metallic glass, by a variety of techniques including copper mold die casting and planar flow casting. The as-cast amorphous solid has good ductility while retaining all of the characteristic features of known metallic glasses, including a distinct glass transition, a supercooled liquid region, and an absence of long-range atomic order. The alloy may be used to form a composite structure including quasi-crystals embedded in an amorphous matrix. Such a composite quasi-crystalline structure has much higher mechanical strength than a crystalline structure.

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.

Electronic Structure of the Metastable Epitaxial Rock-Salt SnSe {111} Topological Crystalline Insulator

Directory of Open Access Journals (Sweden)

Wencan Jin

2017-10-01

Full Text Available Topological crystalline insulators have been recently predicted and observed in rock-salt structure SnSe {111} thin films. Previous studies have suggested that the Se-terminated surface of this thin film with hydrogen passivation has a reduced surface energy and is thus a preferred configuration. In this paper, synchrotron-based angle-resolved photoemission spectroscopy, along with density functional theory calculations, is used to demonstrate that a rock-salt SnSe {111} thin film epitaxially grown on Bi_{2}Se_{3} has a stable Sn-terminated surface. These observations are supported by low-energy electron diffraction (LEED intensity-voltage measurements and dynamical LEED calculations, which further show that the Sn-terminated SnSe {111} thin film has undergone a surface structural relaxation of the interlayer spacing between the Sn and Se atomic planes. In sharp contrast to the Se-terminated counterpart, the observed Dirac surface state in the Sn-terminated SnSe {111} thin film is shown to yield a high Fermi velocity, 0.50×10^{6}  m/s, which suggests a potential mechanism of engineering the Dirac surface state of topological materials by tuning the surface configuration.

Modified crystalline structure of silane-crosslinked polyethylene in the proximity of nanodiamonds

Czech Academy of Sciences Publication Activity Database

Roumeli, E.; Brus, Jiří; Policianová, Olivia; Chrissafis, K.; Bikiaris, D. N.

2016-01-01

Roč. 301, č. 4 (2016), s. 441-450 ISSN 1438-7492 R&D Projects: GA ČR(CZ) GA13-29009S Institutional support: RVO:61389013 Keywords : crosslinked polyethylene * crystalline conformation * deformation Subject RIV: JI - Composite Materials Impact factor: 2.863, year: 2016

Crystallinity evaluation of polyhydroxybutyrate and polycaprolactone blends

International Nuclear Information System (INIS)

Cavalcante, Maxwell P.; Rodrigues, Elton Jorge R.; Tavares, Maria Ines B.

2015-01-01

Polyhydroxybutyrate, PHB, is a polymer obtained through bacterial or synthetic pathways. It has been used in the biomedical field as a matrix for drug delivery, medical implants and as scaffold material for tissue engineering. PHB has high structural organization, which makes it highly crystalline and brittle, making biodegradation difficult, reducing its employability. In order to enhance the mechanical and biological properties of PHB, blends with other polymers, biocompatible or not, are researched and produced. In this regard, blends of PHB and polycaprolactone, PCL, another biopolymer widely used in the biomedical industry, were obtained via solution casting and were characterized by X-ray diffraction (XRD), differential scanning calorimetry (DSC) and low field nuclear magnetic resonance (LF-NMR). Results have shown a dependence between PHB's crystallinity index and PCL quantity employed to obtain the blends.(author)

Electrical transport in crystalline phase change materials

International Nuclear Information System (INIS)

Woda, Michael

2012-01-01

In this thesis, the electrical transport properties of crystalline phase change materials are discussed. Phase change materials (PCM) are a special class of semiconducting and metallic thin film alloys, typically with a high amount of the group five element antimony or the group six element tellurium, such as Ge 2 Sb 2 Te 5 . The unique property portfolio of this material class makes it suitable for memory applications. PCMs reveal fast switching between two stable room-temperature phases (amorphous and crystalline) realized by optical laser or electrical current pulses in memory devices. Additionally, a pronounced property contrast in form of optical reflectivity and electrical conductivity between the amorphous and crystalline phase is the characteristic fingerprint of PCMs. The emerging electrical solid state memory PCRAM is a very promising candidate to replace Flash memory in the near future or to even become a universal memory, which is non-volatile and shows the speed and cyclability of DRAM. One of the main technological challenges is the switching process into the amorphous state, which is the most power demanding step. In order to reduce the switching power, the crystalline resistivity needs to be increased at a given voltage. Thus understanding and tayloring of this property is mandatory. In this work, first the technological relevance, i.e. optical and electrical memory concepts based on PCMs are introduced. Subsequently a description of the physical properties of PCMs in four categories is given. Namely, structure, kinetics, optical properties and electrical properties are discussed. Then important recent developments such as the identification of resonant bonding in crystalline PCMs and a property predicting coordination scheme are briefly reviewed. The following chapter deals with the theoretical background of electrical transport, while the next chapter introduces the experimental techniques: Sputtering, XRR, XRD, DSC, thermal annealing

Real-time vibration-based structural damage detection using one-dimensional convolutional neural networks

Science.gov (United States)

Abdeljaber, Osama; Avci, Onur; Kiranyaz, Serkan; Gabbouj, Moncef; Inman, Daniel J.

2017-02-01

Structural health monitoring (SHM) and vibration-based structural damage detection have been a continuous interest for civil, mechanical and aerospace engineers over the decades. Early and meticulous damage detection has always been one of the principal objectives of SHM applications. The performance of a classical damage detection system predominantly depends on the choice of the features and the classifier. While the fixed and hand-crafted features may either be a sub-optimal choice for a particular structure or fail to achieve the same level of performance on another structure, they usually require a large computation power which may hinder their usage for real-time structural damage detection. This paper presents a novel, fast and accurate structural damage detection system using 1D Convolutional Neural Networks (CNNs) that has an inherent adaptive design to fuse both feature extraction and classification blocks into a single and compact learning body. The proposed method performs vibration-based damage detection and localization of the damage in real-time. The advantage of this approach is its ability to extract optimal damage-sensitive features automatically from the raw acceleration signals. Large-scale experiments conducted on a grandstand simulator revealed an outstanding performance and verified the computational efficiency of the proposed real-time damage detection method.

Flexible structure control experiments using a real-time workstation for computer-aided control engineering

Science.gov (United States)

Stieber, Michael E.

1989-01-01

A Real-Time Workstation for Computer-Aided Control Engineering has been developed jointly by the Communications Research Centre (CRC) and Ruhr-Universitaet Bochum (RUB), West Germany. The system is presently used for the development and experimental verification of control techniques for large space systems with significant structural flexibility. The Real-Time Workstation essentially is an implementation of RUB's extensive Computer-Aided Control Engineering package KEDDC on an INTEL micro-computer running under the RMS real-time operating system. The portable system supports system identification, analysis, control design and simulation, as well as the immediate implementation and test of control systems. The Real-Time Workstation is currently being used by CRC to study control/structure interaction on a ground-based structure called DAISY, whose design was inspired by a reflector antenna. DAISY emulates the dynamics of a large flexible spacecraft with the following characteristics: rigid body modes, many clustered vibration modes with low frequencies and extremely low damping. The Real-Time Workstation was found to be a very powerful tool for experimental studies, supporting control design and simulation, and conducting and evaluating tests withn one integrated environment.

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.

Amplifying (Im)perfection: The Impact of Crystallinity in Discrete and Disperse Block Co-oligomers.

Science.gov (United States)

van Genabeek, Bas; Lamers, Brigitte A G; de Waal, Bas F M; van Son, Martin H C; Palmans, Anja R A; Meijer, E W

2017-10-25

Crystallinity is seldomly utilized as part of the microphase segregation process in ultralow-molecular-weight block copolymers. Here, we show the preparation of two types of discrete, semicrystalline block co-oligomers, comprising an amorphous oligodimethylsiloxane block and a crystalline oligo-l-lactic acid or oligomethylene block. The self-assembly of these discrete materials results in lamellar structures with unforeseen uniformity in the domain spacing. A systematic introduction of dispersity reveals the extreme sensitivity of the microphase segregation process toward chain length dispersity in the crystalline block.

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

Applications of high resolution NMR to geochemistry: crystalline, glass, and molten silicates

Energy Technology Data Exchange (ETDEWEB)

Schneider, E.

1985-11-01

The nuclear spin interactions and the associated quantum mechanical dynamics which are present in solid state NMR are introduced. A brief overview of aluminosilicate structure is presented and crystalline structure is then reviewed, with emphasis on the contributions made by /sup 29/Si NMR spectroscopy. The local structure of glass aluminosilicates as observed by NMR, is presented with analysis of the information content of /sup 29/Si spectra. A high-temperature (to 1300/sup 0/C) NMR spectroscopic investigation of the local environment and dynamics of molecular motion in molten aluminosilicates is described. A comparison is made of silicate liquid, glass, and crystalline local structure. The atomic and molecular motions present in a melt are investigated through relaxation time (T/sub 1/ and T/sub 2/) measurements as a function of composition and temperature for /sup 23/Na and /sup 29/Si.

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.

Real-Time Probing of Structural Dynamics by Interaction between Chromophores

DEFF Research Database (Denmark)

Brogaard, Rasmus Y.; Møller, Klaus Braagaard; Sølling, Theis Ivan

2011-01-01

We present an investigation of structural dynamics in excited-state cations probed in real-time by femtosecond timeresolved ion photofragmentation spectroscopy. From photoelectron spectroscopy data on 1,3-dibromopropane we conclude that the pump pulse ionizes the molecule, populating an excited...

Matrix formulation of the particle motion in crystalline beams

International Nuclear Information System (INIS)

Haffmans, A.F.; Maletic, D.; Ruggiero, A.G.

1994-01-01

To investigate the properties of Crystalline Beams in their ground state, the equations of motion of a single ion and the envelope equations are derived. It is possible to express the status of motion with a set of transfer matrices associated to each of the magnet elements of the storage ring. By inspection of the eigenvalues of the total transfer matrix one then determines the onset of crystalline structures and the stability limits. An analytical approach is also possible, based on the estimate of the shifting of the frequencies of oscillation, betatron and longitudinal, and on the approaching of a major half-integral stopband resonance driven by the space charge

Femtosecond laser-induced cross-periodic structures on a crystalline silicon surface under low pulse number irradiation

Science.gov (United States)

Ji, Xu; Jiang, Lan; Li, Xiaowei; Han, Weina; Liu, Yang; Wang, Andong; Lu, Yongfeng

2015-01-01

A cross-patterned surface periodic structure in femtosecond laser processing of crystalline silicon was revealed under a relatively low shots (4 energy slightly higher than the ablation threshold. The experimental results indicated that the cross-pattern was composed of mutually orthogonal periodic structures (ripples). Ripples with a direction perpendicular to laser polarization (R⊥) spread in the whole laser-modified region, with the periodicity around 780 nm which was close to the central wavelength of the laser. Other ripples with a direction parallel to laser polarization (R‖) were found to be distributed between two of the adjacent ripples R⊥, with a periodicity about the sub-wavelength of the irradiated laser, 390 nm. The geometrical morphology of two mutually orthogonal ripples under static femtosecond laser irradiation could be continuously rotated as the polarization directions changed, but the periodicity remained almost unchanged. The underlying physical mechanism was revealed by numerical simulations based on the finite element method. It was found that the incubation effect with multiple shots, together with the redistributed electric field after initial ablation, plays a crucial role in the generation of the cross-patterned periodic surface structures.

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.

Cross-Linked Liquid Crystalline Systems From Rigid Polymer Networks to Elastomers

CERN Document Server

Broer, Dirk

2011-01-01

With rapidly expanding interest in liquid crystalline polymers and elastomers among the liquid crystal community, researchers are currently exploring the wide range of possible application areas for these unique materials, including optical elements on displays, tunable lasers, strain gauges, micro-structures, and artificial muscles. Written by respected scientists from academia and industry around the world, who are not only active in the field but also well-known in more traditional areas of research, "Cross-Linked Liquid Crystalline Systems: From Rigid Polymer Networks to Elastomers&qu

Capture of negative muons in magnesium oxides and crystalline modifications of phosphorus

International Nuclear Information System (INIS)

Zinov, V.G.; Kachalkin, A.K.; Nikityuk, L.N.; Pokrovskij, V.N.; Rybakov, V.N.; Yutlandov, I.A.

1977-01-01

The paper is aimed at comparing the structure of mesic K X-ray patterns of phosphorus in its crystalline modifications, comparing the structure of mesic X-ray patterns of magnesium and oxygen in compounds of MgO, MgO 2 , H 2 O and metallic magnesium, as well as comparison of propabilities of μ - atomic capture in magnesium oxides. By analyzing the mesic K X-ray patterns of red and white phosphorus it is concluded that the phosphorus crystalline modification produces the effect on the line structure, the higher series number being somewhat larger for the allotrope of phosphorus with polymeric structure. A comparison is made of the mesic X-ray series of the magnesium in oxide and metal, of the oxygen in oxide and water with the analogous data for aluminium and silicon. The data confirm the supposition that chemical bond (valence electrons) plays a substantial role in meson capture

Fourier transform infrared spectroscopic estimation of crystallinity in ...

Indian Academy of Sciences (India)

We present here optical properties and crystallinity index of quartz (SiO2) in natural rocks samples from the Mikir and Khasi hills, Assam, India. Infrared spectroscopy has been used to study the structure of quartz in rock samples and estimate the mining quality of quartz mineral, which is substantiated by calculating the ...

A review of numerical techniques approaching microstructures of crystalline rocks

Science.gov (United States)

Zhang, Yahui; Wong, Louis Ngai Yuen

2018-06-01

The macro-mechanical behavior of crystalline rocks including strength, deformability and failure pattern are dominantly influenced by their grain-scale structures. Numerical technique is commonly used to assist understanding the complicated mechanisms from a microscopic perspective. Each numerical method has its respective strengths and limitations. This review paper elucidates how numerical techniques take geometrical aspects of the grain into consideration. Four categories of numerical methods are examined: particle-based methods, block-based methods, grain-based methods, and node-based methods. Focusing on the grain-scale characters, specific relevant issues including increasing complexity of micro-structure, deformation and breakage of model elements, fracturing and fragmentation process are described in more detail. Therefore, the intrinsic capabilities and limitations of different numerical approaches in terms of accounting for the micro-mechanics of crystalline rocks and their phenomenal mechanical behavior are explicitly presented.

Crystalline cerium(IV) phosphates

International Nuclear Information System (INIS)

Herman, R.G.; Clearfield, A.

1976-01-01

The ion exchange behaviour of seven crystalline cerium(IV) phosphates towards some of the alkali metal cations is described. Only two of the compounds (A and C) possess ion exchange properties in acidic solutions. Four others show some ion exchange characteristics in basic media with some of the alkali cations. Compound G does not behave as an ion exchanger in solutions of pH + , but show very little Na + uptake. Compound E undergoes ion exchange with Na + and Cs + , but not with Li+. Both Li + and Na + are sorbed by compounds A and C. The results are indicative of structures which show steric exclusion phenomena. (author)

A fully packaged micromachined single crystalline resonant force sensor

Energy Technology Data Exchange (ETDEWEB)

Cavalloni, C.; Gnielka, M.; Berg, J. von [Kistler Instrumente AG, Winterthur (Switzerland); Haueis, M.; Dual, J. [ETH Zuerich, Inst. of Mechanical Systems, Zuerich (Switzerland); Buser, R. [Interstate Univ. of Applied Science Buchs, Buchs (Switzerland)

2001-07-01

In this work a fully packaged resonant force sensor for static load measurements is presented. The working principle is based on the shift of the resonance frequency in response to the applied load. The heart of the sensor, the resonant structure, is fabricated by micromachining using single crystalline silicon. To avoid creep and hysteresis and to minimize temperature induced stress the resonant structure is encapsulated using an all-in-silicon solution. This means that the load coupling, the excitation of the microresonator and the detection of the oscillation signal are integrated in only one single crystalline silicon chip. The chip is packaged into a specially designed housing made of steel which has been designed with respect to application in harsh environments. The unloaded sensor has an initial frequency of about 22,5 kHz. The sensitivity amounts to 26 Hz/N with a linearity error significantly less than 0,5%FSO. (orig.)

Electron beam-induced structural transformations of MoO{sub 3} and MoO{sub 3-x} crystalline nanostructures

Energy Technology Data Exchange (ETDEWEB)

Diaz-Droguett, D. E., E-mail: dodiaz@fis.puc.cl [Pontificia Universidad Catolica de Chile, Departamento de Fisica, Facultad de Fisica (Chile); Zuniga, A. [Universidad de Chile, Departamento de Ingenieria Mecanica, Facultad de Ciencias Fisicas y Matematicas (Chile); Solorzano, G. [PUC-RIO, Departamento de Ciencia dos Materiais e Metalurgia, DCMM (Brazil); Fuenzalida, V. M. [Universidad de Chile, Departamento de Fisica, Facultad de Ciencias Fisicas y Matematicas (Chile)

2012-01-15

Electron beam-induced damage and structural changes in MoO{sub 3} and MoO{sub 3-x} single crystalline nanostructures were revealed by in situ transmission electron microscopy (TEM) examination (at 200 kV) after few minutes of concentrating the electron beam onto small areas (diameters between 25 and 200 nm) of the samples. The damage was evaluated recording TEM images, while the structural changes were revealed acquiring selected area electron diffraction patterns and high resolution transmission electron microscopy (HRTEM) images after different irradiation times. The as-received nanostructures of orthorhombic MoO{sub 3} were transformed to a Magneli's phase of the oxide ({gamma}-Mo{sub 4}O{sub 11}) after {approx}10 min of electron beam irradiation. The oxygen loss from the oxide promoted structural changes. HRTEM observations showed that, in the first stage of the reduction, oxygen vacancies generated by the electron beam are accommodated by forming crystallographic shear planes. At a later stage of the reduction process, a polycrystalline structure was developed with highly oxygen-deficient grains. The structural changes can be attributed to the local heating of the irradiated zone combined with radiolysis.

Generic process for preparing a crystalline oxide upon a group IV semiconductor substrate

Science.gov (United States)

McKee, Rodney A.; Walker, Frederick J.; Chisholm, Matthew F.

2000-01-01

A process for growing a crystalline oxide epitaxially upon the surface of a Group IV semiconductor, as well as a structure constructed by the process, is described. The semiconductor can be germanium or silicon, and the crystalline oxide can generally be represented by the formula (AO).sub.n (A'BO.sub.3).sub.m in which "n" and "m" are non-negative integer repeats of planes of the alkaline earth oxides or the alkaline earth-containing perovskite oxides. With atomic level control of interfacial thermodynamics in a multicomponent semiconductor/oxide system, a highly perfect interface between a semiconductor and a crystalline oxide can be obtained.

Controlled synthesis of single-crystalline graphene

Directory of Open Access Journals (Sweden)

Wang Xueshen

2014-02-01

Full Text Available This paper reports the controlled synthesis of single-crystalline graphene on the back side of copper foil using CH4 as the precursor. The influence of growth time and the pressure ratio of CH4/H2 on the structure of graphene are examined. An optimized polymer-assisted method is used to transfer the synthesized graphene onto a SiO2/Si substrate. Scanning electron microscopy and Raman spectroscopy are used to characterize the graphene.

Phase-shifting Real-time Holographic Microscopy applied in micro-structures surface analysis

International Nuclear Information System (INIS)

Brito, I V; Gesualdi, M R R; Muramatsu, M; Ricardo, J

2011-01-01

The microscopic real-time analysis of micro structured materials is of great importance in various domains of science and technology. For other hand, the holographic interferometry comprises a group of powerful optical methods for non-destructive testing in surface analysis. The holographic microscopy uses the holographic interferometric techniques to obtain quantitative intensity and phase information of the optical waves by microscopic systems. With the development of CCD cameras, computers (hardware and software), and new materials for holographic recording, these techniques can be used to replace the classical form of registration and became promising tools in surface analysis. In this work, we developed a prototype of Photorefractive and Digital Holographic Microscope for real-time analysis of micro-structured systems based on the phase-shifting real-time holographic interferometry techniques. Using this apparatus, we are made analysis of shapes and surfaces to obtain the phase maps and the 3D profiles of some samples.

Learning structure-property relationship in crystalline materials: A study of lanthanide-transition metal alloys

Science.gov (United States)

Pham, Tien-Lam; Nguyen, Nguyen-Duong; Nguyen, Van-Doan; Kino, Hiori; Miyake, Takashi; Dam, Hieu-Chi

2018-05-01

We have developed a descriptor named Orbital Field Matrix (OFM) for representing material structures in datasets of multi-element materials. The descriptor is based on the information regarding atomic valence shell electrons and their coordination. In this work, we develop an extension of OFM called OFM1. We have shown that these descriptors are highly applicable in predicting the physical properties of materials and in providing insights on the materials space by mapping into a low embedded dimensional space. Our experiments with transition metal/lanthanide metal alloys show that the local magnetic moments and formation energies can be accurately reproduced using simple nearest-neighbor regression, thus confirming the relevance of our descriptors. Using kernel ridge regressions, we could accurately reproduce formation energies and local magnetic moments calculated based on first-principles, with mean absolute errors of 0.03 μB and 0.10 eV/atom, respectively. We show that meaningful low-dimensional representations can be extracted from the original descriptor using descriptive learning algorithms. Intuitive prehension on the materials space, qualitative evaluation on the similarities in local structures or crystalline materials, and inference in the designing of new materials by element substitution can be performed effectively based on these low-dimensional representations.

Effect of the UV modification of α-crystallin on its ability to suppress nonspecific aggregation

International Nuclear Information System (INIS)

Ellozy, A.R.; Ceger, Patricia; Wang, R.H.; Dillon, James

1996-01-01

Recent studies have shown that structural modifications of α-crystallin during lens aging decrease it's effectiveness as a molecular chaperone. Some of these post-translational modifications have been linked to UV radiation, and this study was undertaken to investigate the effect of UV irradiation on the ability of α-crystallin to suppress nonspecific aggregation. The effect of 3-hydroxykynurenine (3-HK) was also investigated as a model for its glucoside (3-HKG), a main lens chromophore that has been linked to photochemical changes in the human lens. Alpha- and γ-crystallin solutions (1 mg/mL, 1:0.125 wt/wt) were photolyzed (transmission above 295nm) for various time intervals. Thermal denaturation of γ-crystallin with or without α-crystallin was carried out at 70 o C and increases in light scattering were measured at 360 nm. We found that (1) irradiation of γ-crystallin increased its susceptibility to heat-induced scattering. The addition of α-crystallin protects it against thermal denaturation, although its ability to do so decreases the longer γ-crystallin is irradiated and (2) irradiation of α-crystallin decreases its ability to suppress nonspecific aggregation and the presence of 3-HK during irradiation decreases its further. Our results indicate that post-translational modifications of α-crystallin due to UV irradiation affect the sites and mechanisms by which it interacts with γ-crystallin. The kinetics of γ-crystallin unfolding during thermal denaturation were also analyzed. We found that a simple two state model applied for nonirradiated γ-crystallin. This model does not hold when γ-crystallin is irradiated in the prescence or absence of α-crystallin. In these cases, two step or multistep mechanisms are more likely. (Author)

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

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)

Highly selective electrodeposition of sub-10 nm crystalline noble metallic nanorods inside vertically aligned multiwall carbon nanotubes

Science.gov (United States)

Wang, Xuyang; Wang, Ranran; Wu, Qiang; Zhang, Xiaohua; Yang, Zhaohui; Guo, Jun; Chen, Muzi; Tang, Minghua; Cheng, Yajun; Chu, Haibin

2016-07-01

In this paper crystalline noble metallic nanorods including Au and Ag with sub-10 nm diameter, are encapsulated within prealigned and open-ended multiwall carbon nanotubes (MWCNTs) through an electrodeposition method. As the external surface of CNTs has been insulated by the epoxy the CNT channel becomes the only path for the mass transport as well as the nanoreactor for the metal deposition. Highly crystallized Au and Ag2O nanorods parallel to the radial direction of CNTs are confirmed by high-resolution transmission electron microscopy, energy dispersive x-ray spectroscopy and x-ray powder diffraction spectroscopy. The Ag2O nanorods are formed by air oxidation on the Ag metals and show a single crystalline structure with (111) planes. The Au nanorods exhibit a complex crystalline structure including twin-crystal and lattice dislocation with (111) and (200) planes. These crystalline noble metallic nanostructures may have important applications for nanocatalysts for fuel cells as well as nanoelectronic and nanophotonic devices. This method is deemed to benefit the precise deposition of other crystalline nanostructures inside CNTs with a small diameter.

Electrical transport in crystalline phase change materials

Energy Technology Data Exchange (ETDEWEB)

Woda, Michael

2012-01-06

In this thesis, the electrical transport properties of crystalline phase change materials are discussed. Phase change materials (PCM) are a special class of semiconducting and metallic thin film alloys, typically with a high amount of the group five element antimony or the group six element tellurium, such as Ge{sub 2}Sb{sub 2}Te{sub 5}. The unique property portfolio of this material class makes it suitable for memory applications. PCMs reveal fast switching between two stable room-temperature phases (amorphous and crystalline) realized by optical laser or electrical current pulses in memory devices. Additionally, a pronounced property contrast in form of optical reflectivity and electrical conductivity between the amorphous and crystalline phase is the characteristic fingerprint of PCMs. The emerging electrical solid state memory PCRAM is a very promising candidate to replace Flash memory in the near future or to even become a universal memory, which is non-volatile and shows the speed and cyclability of DRAM. One of the main technological challenges is the switching process into the amorphous state, which is the most power demanding step. In order to reduce the switching power, the crystalline resistivity needs to be increased at a given voltage. Thus understanding and tayloring of this property is mandatory. In this work, first the technological relevance, i.e. optical and electrical memory concepts based on PCMs are introduced. Subsequently a description of the physical properties of PCMs in four categories is given. Namely, structure, kinetics, optical properties and electrical properties are discussed. Then important recent developments such as the identification of resonant bonding in crystalline PCMs and a property predicting coordination scheme are briefly reviewed. The following chapter deals with the theoretical background of electrical transport, while the next chapter introduces the experimental techniques: Sputtering, XRR, XRD, DSC, thermal annealing

Hydrothermal Synthesis and Biocompatibility Study of Highly Crystalline Carbonated Hydroxyapatite Nanorods

Science.gov (United States)

Xue, Caibao; Chen, Yingzhi; Huang, Yongzhuo; Zhu, Peizhi

2015-08-01

Highly crystalline carbonated hydroxyapatite (CHA) nanorods with different carbonate contents were synthesized by a novel hydrothermal method. The crystallinity and chemical structure of synthesized nanorods were studied by Fourier transform infrared spectroscopy (FTIR), X-ray photo-electronic spectroscopy (XPS), X-ray diffraction (XRD), Raman spectroscopy, and transmission electron microscopy (TEM). The biocompatibility of synthesized CHA nanorods was evaluated by cell viability and alkaline phosphatase (ALP) activity of MG-63 cell line. The biocompatibility evaluation results show that these CHA nanorods are biologically active apatites and potentially promising bone-substitute biomaterials for orthopedic application.

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

Alpha-crystallin-type heat shock proteins: socializing minichaperones in the context of a multichaperone network.

Science.gov (United States)

Narberhaus, Franz

2002-03-01

Alpha-crystallins were originally recognized as proteins contributing to the transparency of the mammalian eye lens. Subsequently, they have been found in many, but not all, members of the Archaea, Bacteria, and Eucarya. Most members of the diverse alpha-crystallin family have four common structural and functional features: (i) a small monomeric molecular mass between 12 and 43 kDa; (ii) the formation of large oligomeric complexes; (iii) the presence of a moderately conserved central region, the so-called alpha-crystallin domain; and (iv) molecular chaperone activity. Since alpha-crystallins are induced by a temperature upshift in many organisms, they are often referred to as small heat shock proteins (sHsps) or, more accurately, alpha-Hsps. Alpha-crystallins are integrated into a highly flexible and synergistic multichaperone network evolved to secure protein quality control in the cell. Their chaperone activity is limited to the binding of unfolding intermediates in order to protect them from irreversible aggregation. Productive release and refolding of captured proteins into the native state requires close cooperation with other cellular chaperones. In addition, alpha-Hsps seem to play an important role in membrane stabilization. The review compiles information on the abundance, sequence conservation, regulation, structure, and function of alpha-Hsps with an emphasis on the microbial members of this chaperone family.

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.

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.

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.

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.

Multivariate analysis of DSC-XRD simultaneous measurement data: a study of multistage crystalline structure changes in a linear poly(ethylene imine) thin film.

Science.gov (United States)

Kakuda, Hiroyuki; Okada, Tetsuo; Otsuka, Makoto; Katsumoto, Yukiteru; Hasegawa, Takeshi

2009-01-01

A multivariate analytical technique has been applied to the analysis of simultaneous measurement data from differential scanning calorimetry (DSC) and X-ray diffraction (XRD) in order to study thermal changes in crystalline structure of a linear poly(ethylene imine) (LPEI) film. A large number of XRD patterns generated from the simultaneous measurements were subjected to an augmented alternative least-squares (ALS) regression analysis, and the XRD patterns were readily decomposed into chemically independent XRD patterns and their thermal profiles were also obtained at the same time. The decomposed XRD patterns and the profiles were useful in discussing the minute peaks in the DSC. The analytical results revealed the following changes of polymorphisms in detail: An LPEI film prepared by casting an aqueous solution was composed of sesquihydrate and hemihydrate crystals. The sesquihydrate one was lost at an early stage of heating, and the film changed into an amorphous state. Once the sesquihydrate was lost by heating, it was not recovered even when it was cooled back to room temperature. When the sample was heated again, structural changes were found between the hemihydrate and the amorphous components. In this manner, the simultaneous DSC-XRD measurements combined with ALS analysis proved to be powerful for obtaining a better understanding of the thermally induced changes of the crystalline structure in a polymer film.

THE RESTATEMENTS IMPACT OF THE REAL ESTATE ON THE INHERITANCE STRUCTURE

Directory of Open Access Journals (Sweden)

Adriana Craitar

2016-12-01

Full Text Available The modification of the recognition and consideration rules of the real estate in the patrimony of a company (beginning with 1st January 2015 leaded to new practices under the accounting aspect and under the analysis of the rates of structure. In the work, there are presented and explained the implications of accounting nature, in the first step and they are followed in a rational way by the modifications caused in the structure of the tangible elements. The practical aspects were followed and analyzed over a period of 3 years: between 2014 and 2016 being split pertinent conclusions. The decision of enclosing a real estate in one of the categories “Lands”, “Buildings” or “Investment property” is grounded in a big measure on the own accounting politics and on the professional reasoning. But, in report with this retreatment, notable modifications are registered in the tangible elements. These modifications appear in the size of the weight and also in the number of the structure rates for being calculated (determined by the introduction of new balance sheet to tangible.

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

Electrochemically synthesized amorphous and crystalline nanowires: dissimilar nanomechanical behavior in comparison with homologous flat films

Science.gov (United States)

Zeeshan, M. A.; Esqué-de Los Ojos, D.; Castro-Hartmann, P.; Guerrero, M.; Nogués, J.; Suriñach, S.; Baró, M. D.; Nelson, B. J.; Pané, S.; Pellicer, E.; Sort, J.

2016-01-01

The effects of constrained sample dimensions on the mechanical behavior of crystalline materials have been extensively investigated. However, there is no clear understanding of these effects in nano-sized amorphous samples. Herein, nanoindentation together with finite element simulations are used to compare the properties of crystalline and glassy CoNi(Re)P electrodeposited nanowires (φ ~ 100 nm) with films (3 μm thick) of analogous composition and structure. The results reveal that amorphous nanowires exhibit a larger hardness, lower Young's modulus and higher plasticity index than glassy films. Conversely, the very large hardness and higher Young's modulus of crystalline nanowires are accompanied by a decrease in plasticity with respect to the homologous crystalline films. Remarkably, proper interpretation of the mechanical properties of the nanowires requires taking the curved geometry of the indented surface and sink-in effects into account. These findings are of high relevance for optimizing the performance of new, mechanically-robust, nanoscale materials for increasingly complex miniaturized devices.The effects of constrained sample dimensions on the mechanical behavior of crystalline materials have been extensively investigated. However, there is no clear understanding of these effects in nano-sized amorphous samples. Herein, nanoindentation together with finite element simulations are used to compare the properties of crystalline and glassy CoNi(Re)P electrodeposited nanowires (φ ~ 100 nm) with films (3 μm thick) of analogous composition and structure. The results reveal that amorphous nanowires exhibit a larger hardness, lower Young's modulus and higher plasticity index than glassy films. Conversely, the very large hardness and higher Young's modulus of crystalline nanowires are accompanied by a decrease in plasticity with respect to the homologous crystalline films. Remarkably, proper interpretation of the mechanical properties of the nanowires

Combining 3D structure of real video and synthetic objects

Science.gov (United States)

Kim, Man-Bae; Song, Mun-Sup; Kim, Do-Kyoon

1998-04-01

This paper presents a new approach of combining real video and synthetic objects. The purpose of this work is to use the proposed technology in the fields of advanced animation, virtual reality, games, and so forth. Computer graphics has been used in the fields previously mentioned. Recently, some applications have added real video to graphic scenes for the purpose of augmenting the realism that the computer graphics lacks in. This approach called augmented or mixed reality can produce more realistic environment that the entire use of computer graphics. Our approach differs from the virtual reality and augmented reality in the manner that computer- generated graphic objects are combined to 3D structure extracted from monocular image sequences. The extraction of the 3D structure requires the estimation of 3D depth followed by the construction of a height map. Graphic objects are then combined to the height map. The realization of our proposed approach is carried out in the following steps: (1) We derive 3D structure from test image sequences. The extraction of the 3D structure requires the estimation of depth and the construction of a height map. Due to the contents of the test sequence, the height map represents the 3D structure. (2) The height map is modeled by Delaunay triangulation or Bezier surface and each planar surface is texture-mapped. (3) Finally, graphic objects are combined to the height map. Because 3D structure of the height map is already known, Step (3) is easily manipulated. Following this procedure, we produced an animation video demonstrating the combination of the 3D structure and graphic models. Users can navigate the realistic 3D world whose associated image is rendered on the display monitor.

Structure and magnetic properties of Zn1-xCoxO single-crystalline nanorods synthesized by a wet chemical method

International Nuclear Information System (INIS)

Wang Hao; Wang, H B; Yang, F J; Chen, Y; Zhang, C; Yang, C P; Li, Q; Wong, S P

2006-01-01

A novel approach for the synthesis of cobalt-doped ZnO single-crystalline nanorods based on a wet chemical reaction has been developed. The as-doped ZnO nanorods have a length between 0.3 and 0.6 μm and a diameter between 30 and 60 nm. Structure and composition analyses indicate that the cobalt is incorporated into the ZnO lattice, forming a solid solution without any precipitation. Magnetic property measurements reveal that there is room-temperature ferromagnetism in the Zn 1-x Co x O nanorods with T c higher than 300 K

X-ray absorption spectroscopy of single-crystalline (VO)2P2O7: Electronic structure and possible exchange paths

International Nuclear Information System (INIS)

Gerhold, S.; Nu''cker, N.; Kuntscher, C. A.; Schuppler, S.; Stadler, S.; Idzerda, Y. U.; Prokofiev, A. V.; Bu''llesfeld, F.; Assmus, W.

2001-01-01

Using polarization-dependent V2p and O1s near-edge x-ray absorption spectroscopy, we studied the unoccupied electronic structure of single-crystalline (VO) 2 P 2 O 7 . It is highly anisotropic, and shows similarities to vanadium oxides like VO 2 and V 2 O 5 at the V2p edge and at the O1s threshold. The contributions from V-O and P-O orbitals could be identified. The results rule out the spin ladder model for the magnetic behavior of (VO) 2 P 2 O 7 , but are consistent with the alternating chain scenario

Epitaxial growth of silicon and germanium on (100-oriented crystalline substrates by RF PECVD at 175 °C

Directory of Open Access Journals (Sweden)

Mauguin O.

2012-11-01

Full Text Available We report on the epitaxial growth of crystalline Si and Ge thin films by standard radio frequency plasma enhanced chemical vapor deposition at 175 °C on (100-oriented silicon substrates. We also demonstrate the epitaxial growth of silicon films on epitaxially grown germanium layers so that multilayer samples sustaining epitaxy could be produced. We used spectroscopic ellipsometry, Raman spectroscopy, transmission electron microscopy and X-ray diffraction to characterize the structure of the films (amorphous, crystalline. These techniques were found to provide consistent results and provided information on the crystallinity and constraints in such lattice-mismatched structures. These results open the way to multiple quantum-well structures, which have been so far limited to few techniques such as Molecular Beam Epitaxy or MetalOrganic Chemical Vapor Deposition.

Effects of grinding on certain crystalline structures

International Nuclear Information System (INIS)

Tekiz, Y.

1965-06-01

The effects of grinding on certain crystalline substances (ZnO, ZnS, Sb), have been studied using X-ray diffraction and electron microscopy. The treatments were carried out using a vibrating mill which involves a higher energy than more conventional equipment such as ball-mills. Various methods have been proposed for determining the width of the intrinsic profile (β). In the case of zinc oxide it has been shown possible to differentiate the respective contributions of the fragmentation effects and of lattice deformation effects to the overall effects of the grinding. For the two types of zinc sulfide (blend and Wurtzite) it has been shown that the blend-wurtzite) transition point is very much decreased, and that the rate of transformation of wurtzite into the stable form (blend) at room temperature is considerably increased by the grinding. In the case of antimony, the method of fragmentation shows the existence of an anisotropy which appears to be connected with easily cleavable planes. These observations show that in the case of grinding carried out with sufficient energy, the accumulation of this energy in the matter through the creation of lattice defects can accelerate the reaction rate or bring about physical transformations. (author) [fr

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

Molecular reorientations in a substance with liquid-crystalline and plastic-crystalline phases

International Nuclear Information System (INIS)

Nguyen, Xuan Phuc.

1986-05-01

Results of dielectric relaxation (DR), quasielastic neutron scattering (QNS), far infrared absorption (FIR), proton magnetic resonance (PMR), differential scanning calorimetry (DSC) and preliminary X-ray diffraction measurements on the di-n-pentyloxyazoxybenzene (5.OAOB) are presented. The measurements carried out by all these methods showed that 5.OAOB exhibits a nontypical for liquid-crystalline materials phase diagram. It has two mesophases: a nematic (N) and an ''intermediate'' crystalline phase just below it. A complex interpretation of results obtained is given. All suggestions concerning the character of reorientational motions of the molecule as a whole as well as of its segments in mesomorphic phases are analyzed. From comparison of the DR and QNS studies one can conclude that in the N phase the molecule as a whole performs rotational diffusion around the long axis (τ DR ∼ 100 ps) and at the same time the two moieties perform faster independent reorientations around N - benzene rings bonds withτ QNS ∼ 5 ps. On the basis of various experimental data it is shown that the CrI phase is a plastic-crystalline phase for which the molecule and its segments perform fast stochastic unaxial reorientations. This is the first case where the existence of such a phase in liquid-crystalline materials has been experimentally confirmed. (author)

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

An active robot vision system for real-time 3-D structure recovery

Energy Technology Data Exchange (ETDEWEB)

Juvin, D. [CEA Centre d`Etudes de Saclay, 91 - Gif-sur-Yvette (France). Dept. d`Electronique et d`Instrumentation Nucleaire; Boukir, S.; Chaumette, F.; Bouthemy, P. [Rennes-1 Univ., 35 (France)

1993-10-01

This paper presents an active approach for the task of computing the 3-D structure of a nuclear plant environment from an image sequence, more precisely the recovery of the 3-D structure of cylindrical objects. Active vision is considered by computing adequate camera motions using image-based control laws. This approach requires a real-time tracking of the limbs of the cylinders. Therefore, an original matching approach, which relies on an algorithm for determining moving edges, is proposed. This method is distinguished by its robustness and its easiness to implement. This method has been implemented on a parallel image processing board and real-time performance has been achieved. The whole scheme has been successfully validated in an experimental set-up.

An active robot vision system for real-time 3-D structure recovery

International Nuclear Information System (INIS)

Juvin, D.

1993-01-01

This paper presents an active approach for the task of computing the 3-D structure of a nuclear plant environment from an image sequence, more precisely the recovery of the 3-D structure of cylindrical objects. Active vision is considered by computing adequate camera motions using image-based control laws. This approach requires a real-time tracking of the limbs of the cylinders. Therefore, an original matching approach, which relies on an algorithm for determining moving edges, is proposed. This method is distinguished by its robustness and its easiness to implement. This method has been implemented on a parallel image processing board and real-time performance has been achieved. The whole scheme has been successfully validated in an experimental set-up

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.

RELATIONSHIP BETWEEN CRYSTALLINE STRUCTURE AND OPTICAL PROPERTIES OF WHEAT (Triticum aestevum L. STRAW SODA-OXYGEN PULP

Directory of Open Access Journals (Sweden)

Esat Gümüşkaya

2003-04-01

Full Text Available In this study; pulp was produced with soda-oxygen process by using wheat (Triticum aestevum L. straw as raw material and this pulp bleached with hypocholoride (H and peroxyde (P stages. It was found that crystalline properties of unbleached and bleached pulp samples increased by removing amorphous components. In addition, paper sheets made from unbleached and bleached soda-oxygen pulp and determined their optical properties. Consequently; while crystalline properties of pulp samples was rising with HP bleaching, it was determined that optical properties of paper sheets improved with bleaching.

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

Structural morphology, upconversion luminescence and optical thermometric sensing behavior of Y2O3:Er(3+)/Yb(3+) nano-crystalline phosphor.

Science.gov (United States)

Joshi, C; Dwivedi, A; Rai, S B

2014-08-14

Infrared-to-visible upconverting rare earths Er(3+)/Yb(3+) co-doped Y2O3 nano-crystalline phosphor samples have been prepared by solution combustion method followed by post-heat treatment at higher temperatures. A slight increase in average crystallite size has been found on calcinations verified by X-ray analysis. Transmission electron microscopy (TEM) confirms the nano-crystalline nature of the as-prepared and calcinated samples. Fourier transform infrared (FTIR) analysis shows the structural changes in as-prepared and calcinated samples. Upconversion and downconversion emission recorded using 976 and 532 nm laser sources clearly demonstrates a better luminescence properties in the calcinated samples as compared to as-prepared sample. Upconversion emission has been quantified in terms of standard chromaticity diagram (CIE) showing a shift in overall upconversion emission of as-prepared and calcinated samples. Temperature sensing behaviour of this material has also been investigated by measurement of fluorescence intensity ratio (FIR) of various signals in green emission in the temperature range of 315 to 555 K under 976 nm laser excitation. Copyright © 2014 Elsevier B.V. All rights reserved.

A real nonlinear integrable couplings of continuous soliton hierarchy and its Hamiltonian structure

International Nuclear Information System (INIS)

Yu Fajun

2011-01-01

Some integrable coupling systems of existing papers are linear integrable couplings. In the Letter, beginning with Lax pairs from special non-semisimple matrix Lie algebras, we establish a scheme for constructing real nonlinear integrable couplings of continuous soliton hierarchy. A direct application to the AKNS spectral problem leads to a novel nonlinear integrable couplings, then we consider the Hamiltonian structures of nonlinear integrable couplings of AKNS hierarchy with the component-trace identity. - Highlights: → We establish a scheme to construct real nonlinear integrable couplings. → We obtain a novel nonlinear integrable couplings of AKNS hierarchy. → Hamiltonian structure of nonlinear integrable couplings AKNS hierarchy is presented.

An analogue of long-term stability of flow-path structure in crystalline rocks distributed in the orogenic belt, Japan

Energy Technology Data Exchange (ETDEWEB)

Yoshida, H. [Nagoya University, University Museum Material Research Section, 464-8601, Chikusa, Nagoya, 464-8601 (Japan)]. E-mail: dora@num.nagoya-u.ac.jp; Takeuchi, M. E-mail: takeuchi@eps.nagoya-u.ac.jp

2004-07-01

In the orogenic belt, in the Japanese islands, crystalline rocks from the youngest to older ages and of different orders have been identified which have formed massive areas. The fracture system observed within these rock masses implies that the groundwater and solute can be conducted through the fracture's network. It is expected that the nuclides can be retarded due to chemical sorption and/or physical retardation by the fracture fillings and fracture open pore geometry. Most of the evaluation framework of the nuclides retardation process in the geological disposal of high level radioactive waste (HLW) is, however, basically taken into account in the present geological state, without changes of structural and mineralogical features, and in its influence on the groundwater flow system over a long period of time. This paper seeks analogous evidence that can provide the confidence of such evaluation methodology and its long-term applicability. Here, we describe the fracture system developed in the crystalline rock with the different ages intruded in the orogenic belt in order to build the long-term fracturing and its 'stability' model. In particular, comparisons with the rock of 1.9-0.8 Ma Takidani Granodiorite (the youngest pluton in the world), ca. 67 Ma of Toki Granite and ca. 117 Ma Kurihashi Granodiorite located in central to northwest Japan suggest a unique characteristic of the fracture forming process and their relatively stable geometrical changing. This analogue enables us to provide a model to build the confidence of a safety context applicable for the geological setting under the orogenic field with a long-term scale. The model may also be useful for other stable tectonic settings as well as for a site characterisation methodology of crystalline rock for HLW geological disposal. (author)

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.

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)

Characterisation of spray dried soy sauce powders made by adding crystalline carbohydrates to drying carrier.

Science.gov (United States)

Wang, Wei; Zhou, Weibiao

2015-02-01

This study aimed to reduce stickiness and caking of spray dried soy sauce powders by introducing a new crystalline structure into powder particles. To perform this task, soy sauce powders were formulated by using mixtures of cellulose and maltodextrin or mixtures of waxy starch and maltodextrin as drying carriers, with a fixed carrier addition rate of 30% (w/v) in the feed solution. The microstructure, crystallinity, solubility as well as stickiness and caking strength of all the different powders were analysed and compared. Incorporating crystalline carbohydrates in the drying carrier could significantly reduce the stickiness and caking strength of the powders when the ratio of crystalline carbohydrates to maltodextrin was above 1:5 and 1:2, respectively. X-ray Diffraction (XRD) results showed that adding cellulose or waxy starch could induce the crystallinity of powders. Differential Scanning Calorimetry (DSC) results demonstrated that the native starch added to the soy sauce powders did not fully gelatinize during spray drying. Copyright © 2014 Elsevier Ltd. All rights reserved.

On the processing-structure-property relationship of ITO layers deposited on crystalline and amorphous Si

International Nuclear Information System (INIS)

Diplas, S.; Ulyashin, A.; Maknys, K.; Gunnaes, A.E.; Jorgensen, S.; Wright, D.; Watts, J.F.; Olsen, A.; Finstad, T.G.

2007-01-01

Indium-tin-oxide (ITO) antireflection coatings were deposited on crystalline Si (c-Si), amorphous hydrogenated Si (a-Si:H) and glass substrates at room temperature (RT), 160 deg. C and 230 deg. C by magnetron sputtering. The films were characterised using atomic force microscopy, transmission electron microscopy, angle resolved X-ray photoelectron spectroscopy, combined with resistance and transmittance measurements. The conductivity and refractive index as well as the morphology of the ITO films showed a significant dependence on the processing conditions. The films deposited on the two different Si substrates at higher temperatures have rougher surfaces compared to the RT ones due to the development of crystallinity and growth of columnar grains

Towards the understanding of the molecular weight dependence of essential work of fracture in semi-crystalline polymers: A study on poly(ε-caprolactone

Directory of Open Access Journals (Sweden)

F. Tuba

2014-11-01

Full Text Available The plane-stress ductile fracture of poly(#-caprolactone (PCL has been investigated as a function of molecular weight and related crystalline structure. Because of the interacting effects in semi-crystalline polymers a separate study of a given structural parameter is rather challenging. Nevertheless, this polymer seems to be a good model material to study the effect of molecular weight on the essential work of fracture, as the interactions between the separate parameters, at room temperature, are negligible. The molecular characteristics of PCL were determined by size exclusion chromatography. To confirm the entangled molecular structure of studied polymers rheological measurements were performed. The crystalline morphology has been characterized by differential scanning calorimetry and wide angle X-ray diffraction. Quasi-static tensile tests and essential work of fracture tests were performed to study the mechanical behavior. Based on the experimental observations an empirical model has been proposed to outline the molecular weight and crystallinity dependence of the essential work of fracture in this semi-crystalline polymer.

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...

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

Real-space local polynomial basis for solid-state electronic-structure calculations: A finite-element approach

International Nuclear Information System (INIS)

Pask, J.E.; Klein, B.M.; Fong, C.Y.; Sterne, P.A.

1999-01-01

We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the method is completely general and its convergence can be controlled systematically. Because the basis functions are strictly local in real space, the method allows for variable resolution in real space; produces sparse, structured matrices, enabling the effective use of iterative solution methods; and is well suited to parallel implementation. The method thus combines the significant advantages of both real-space-grid and basis-oriented approaches and so promises to be particularly well suited for large, accurate ab initio calculations. We develop the theory of our approach in detail, discuss advantages and disadvantages, and report initial results, including electronic band structures and details of the convergence of the method. copyright 1999 The American Physical Society

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.

XRD and FTIR crystallinity indices in sound human tooth enamel and synthetic hydroxyapatite

International Nuclear Information System (INIS)

Reyes-Gasga, José; Martínez-Piñeiro, Esmeralda L.; Rodríguez-Álvarez, Galois; Tiznado-Orozco, Gaby E.; García-García, Ramiro

2013-01-01

The crystallinity index (CI) is a measure of the percentage of crystalline material in a given sample and it is also correlated to the degree of order within the crystals. In the literature two ways are reported to measure the CI: X-ray diffraction and infrared spectroscopy. Although the CI determined by these techniques has been adopted in the field of archeology as a structural order measure in the bone with the idea that it can help e.g. in the sequencing of the bones in chronological and/or stratigraphic order, some debate remains about the reliability of the CI values. To investigate similarities and differences between the two techniques, the CI of sound human tooth enamel and synthetic hydroxyapatite (HAP) was measured in this work by X-ray diffraction (XRD) and Fourier Transform Infrared spectroscopy (FTIR), at room temperature and after heat treatment. Although the (CI) XRD index is related to the crystal structure of the samples and the (CI) FTIR index is related to the vibration modes of the molecular bonds, both indices showed similar qualitative behavior for heat-treated samples. At room temperature, the (CI) XRD value indicated that enamel is more crystalline than synthetic HAP, while (CI) FTIR indicated the opposite. Scanning (SEM) and transmission (TEM) images were also used to corroborate the measured CI values. - Highlights: • XRD and FTIR crystallinity indices for tooth enamel and synthetic HAP were obtained. • SEM and TEM images were more correlated with (CI) XRD than with (CI) FTIR . • Regardless of the temperature, (CI) XRD and (CI) FTIR showed similar behavior. • XRD and FTIR crystallinity indices resulted in a fast and qualitative measurement

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

Advancements in n-type base crystalline silicon solar cells and their emergence in the photovoltaic industry.

Science.gov (United States)

ur Rehman, Atteq; Lee, Soo Hong

2013-01-01

The p-type crystalline silicon wafers have occupied most of the solar cell market today. However, modules made with n-type crystalline silicon wafers are actually the most efficient modules up to date. This is because the material properties offered by n-type crystalline silicon substrates are suitable for higher efficiencies. Properties such as the absence of boron-oxygen related defects and a greater tolerance to key metal impurities by n-type crystalline silicon substrates are major factors that underline the efficiency of n-type crystalline silicon wafer modules. The bi-facial design of n-type cells with good rear-side electronic and optical properties on an industrial scale can be shaped as well. Furthermore, the development in the industrialization of solar cell designs based on n-type crystalline silicon substrates also highlights its boost in the contributions to the photovoltaic industry. In this paper, a review of various solar cell structures that can be realized on n-type crystalline silicon substrates will be given. Moreover, the current standing of solar cell technology based on n-type substrates and its contribution in photovoltaic industry will also be discussed.

Synthesis and structure of large single crystalline silver hexagonal microplates suitable for micromachining

Energy Technology Data Exchange (ETDEWEB)

Lyutov, Dimitar L.; Genkov, Kaloyan V.; Zyapkov, Anton D.; Tsutsumanova, Gichka G.; Tzonev, Atanas N. [Department of Solid State Physics and Microelectronics, Faculty of Physics, University of Sofia, 5, J. Bouchier Blvd, Sofia (Bulgaria); Lyutov, Lyudmil G. [Department of General and Inorganic Chemistry, Faculty of Chemistry, University of Sofia, 1, J. Bouchier Blvd, Sofia (Bulgaria); Russev, Stoyan C., E-mail: scr@phys.uni-sofia.bg [Department of Solid State Physics and Microelectronics, Faculty of Physics, University of Sofia, 5, J. Bouchier Blvd, Sofia (Bulgaria)

2014-01-15

We report a simple one-step synthesis method of large single crystalline Ag (111) hexagonal microplates with sharp edges and a size of up to tens of microns. Single silver crystals were produced by reduction silver nitrate aqueous solution with 4-(methylamino)phenol sulfate. Scanning and transmission electron microscopy, energy-dispersive X-ray spectroscopy, selected area electron diffraction and optical microscopy techniques were combined to characterize the crystals. It is shown that the microplates can be easily dispersed and transferred as single objects onto different substrates and subsequently used as a high quality plasmonic starting material for micromachining of future nanocomponents, using modern top-down techniques like focused-ion beam milling and gas injection deposition. - Highlights: • Synthesis of large Ag hexagonal microplates with high crystallinity. • It is shown and discussed the role of twinning for the anisotropic 2D growth. • The Ag plates are stable in water and can be dispersed onto different substrates. • Their positioning and subsequent micromachining with FIB/GIS is demonstrated. • Suitable starting material for future plasmonic nanocomponents.

First-principles real-space tight-binding LMTO calculation of electronic structures for atomic clusters

International Nuclear Information System (INIS)

Xie, Z.L.; Dy, K.S.; Wu, S.Y.

1997-01-01

A real-space scheme has been developed for a first-principles calculation of electronic structures and total energies of atomic clusters. The scheme is based on the combination of the tight-binding linear muffin-tin orbital (TBLMTO) method and the method of real-space Green close-quote s function. With this approach, the local electronic density of states can be conveniently determined from the real-space Green close-quote s function. Furthermore, the full electron density of a cluster can be directly calculated in real space. The scheme has been shown to be very efficient due to the incorporation of the method of real-space Green close-quote s function and Delley close-quote s method of evaluating multicenter integrals. copyright 1996 The American Physical Society

The Maxwell-Stefan description of mixture diffusion in nanoporous crystalline materials

NARCIS (Netherlands)

Krishna, R.

2014-01-01

The efficacy of nanoporous crystalline materials in separation applications is often influenced to a significant extent by diffusion of guest molecules within the pores of the structural frameworks. The Maxwell-Stefan (M-S) equations provide a fundamental and convenient description of mixture

Hemoglobin interactions with αB crystallin: a direct test of sensitivity to protein instability.

Directory of Open Access Journals (Sweden)

Tyler J W Clark

Full Text Available As a small stress response protein, human αB crystallin, detects protein destabilization that can alter structure and function to cause self assembly of fibrils or aggregates in diseases of aging. The sensitivity of αB crystallin to protein instability was evaluated using wild-type hemoglobin (HbA and hemoglobin S (HbS, the glutamate-6-valine mutant that forms elongated, filamentous aggregates in sickling red blood cells. The progressive thermal unfolding and aggregation of HbA and HbS in solution at 37°C, 50°C and 55°C was measured as increased light scattering. UV circular dichroism (UVCD was used to evaluate conformational changes in HbA and HbS with time at the selected temperatures. The changes in interactions between αB crystallin and HbA or HbS with temperature were analyzed using differential centrifugation and SDS PAGE at 37°C, 50°C and 55°C. After only 5 minutes at the selected temperatures, differences in the aggregation or conformation of HbA and HbS were not observed, but αB crystallin bound approximately 6% and 25% more HbS than HbA at 37°C, and 50°C respectively. The results confirmed (a the remarkable sensitivity of αB crystallin to structural instabilities at the very earliest stages of thermal unfolding and (b an ability to distinguish the self assembling mutant form of HbS from the wild type HbA in solution.

Use of low-frequency Raman spectroscopy and chemometrics for the quantification of crystallinity in amorphous griseofulvin tablets

DEFF Research Database (Denmark)

Mah, Pei T.; Fraser, Sara J.; Reish, Matthew E.

2015-01-01

in stored amorphous samples earlier than the mid-frequency 785 nm Raman system. Overall, this study suggests that low-frequency Raman spectroscopy has at least equally good performance compared to mid-frequency Raman for quantitative analysis of crystallinity in the pharmaceutical setting. More generally......Low-frequency Raman spectroscopy, which directly probes phonon lattice modes of crystal structures, has much unexplored potential for sensitive qualitative and quantitative analysis of crystallinity in drugs and excipients. In this study, the level of crystallinity in tablets containing amorphous...

Optical characteristics of crystalline antimony sulphide (Sb 2 S 3 ...

African Journals Online (AJOL)

This paper presents the important optical characteristics of crystalline Sb2S3 film deposited on glass substrate using solution growth technique at 300k. These characteristics were analyzed using PYEUNICAM SP8-100 spectrophotometer in the range of UV-VIS-NIR while the morphology and the structural composition were ...

Estimation of failure probability on real structure utilized by earthquake observation data

International Nuclear Information System (INIS)

Matsubara, Masayoshi

1995-01-01

The objective of this report is to propose the procedure which estimates the structural response on a real structure by utilizing earthquake observation data using Neural network system. We apply the neural network system to estimate the ground motion of the site by enormous earthquake data published from Japan Meteorological Agency. The proposed procedure has some possibility to estimate the correlation between earthquake and response adequately. (author)

Structural characterization of lipidic systems under nonequilibrium conditions

DEFF Research Database (Denmark)

Yaghmur, Anan; Rappolt, Michael

2012-01-01

This review covers recent studies on the characterization of the dynamics of lipidic nanostructures formed via self-assembly processes. The focus is placed on two main topics: First, an overview of advanced experimental small-angle X-ray scattering (SAXS) setups combined with various sample...... negatively charged vesicles with calcium ions, and in situ hydration-induced formation of inverted-type liquid-crystalline phases loaded with the local anesthetic bupivacaine are summarized. These in situ time-resolved experiments allow real-time monitoring of the dynamics of the structural changes...

Glass-crystalline materials for active waste incorporation

International Nuclear Information System (INIS)

Kulichenko, V.V.; Krylova, N.V.; Vlasov, V.I.; Polyakov, A.S.

1979-01-01

This paper presents the results of investigations into the possibility and conditions for using glass-crystalline materials for the incorporation of radionuclides. Materials of a cast pyroxene type that are obtained by smelting calcined wastes with acid blast furnace slags are described. A study was also made of materials of a basalt type prepared from wastes with and without alkali metal salt. Changes in the structure and properties of materials in the process of storage at different temperatures have been studied

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...

Probing crystallinity of never-dried wood cellulose with Raman spectroscopy

Science.gov (United States)

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

2016-01-01

The structure of wood cell wall cellulose in its native state remains poorly understood, limiting the progress of research and development in numerous areas, including plant science, biofuels, and nanocellulose based materials. It is generally believed that cellulose in cell wall microfibrils has both crystalline and amorphous regions. However, there is evidence that...

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

Aspirin degradation in surface-charged TEMPO-oxidized mesoporous crystalline nanocellulose.

Science.gov (United States)

Carlsson, Daniel O; Hua, Kai; Forsgren, Johan; Mihranyan, Albert

2014-01-30

TEMPO-mediated surface oxidation of mesoporous highly crystalline Cladophora cellulose was used to introduce negative surface charges onto cellulose nanofibrils without significantly altering other structural characteristics. This enabled the investigation of the influence of mesoporous nanocellulose surface charges on aspirin chemical stability to be conducted. The negative surface charges (carboxylate content 0.44±0.01 mmol/g) introduced on the mesoporous crystalline nanocellulose significantly accelerated aspirin degradation, compared to the starting material which had significantly less surface charge (0.06±0.01 mmol/g). This effect followed from an increased aspirin amorphisation ability in mesopores of the oxidized nanocellulose. These results highlight the importance of surface charges in formulating nanocellulose for drug delivery. Copyright © 2013 Elsevier B.V. All rights reserved.

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.

Crack detection and analyses using resonance ultrasonic vibrations in full-size crystalline silicon wafers

International Nuclear Information System (INIS)

Belyaev, A.; Polupan, O.; Dallas, W.; Ostapenko, S.; Hess, D.; Wohlgemuth, J.

2006-01-01

An experimental approach for fast crack detection and length determination in full-size solar-grade crystalline silicon wafers using a resonance ultrasonic vibrations (RUV) technique is presented. The RUV method is based on excitation of the longitudinal ultrasonic vibrations in full-size wafers. Using an external piezoelectric transducer combined with a high sensitivity ultrasonic probe and computer controlled data acquisition system, real-time frequency response analysis can be accomplished. On a set of identical crystalline Si wafers with artificially introduced periphery cracks, it was demonstrated that the crack results in a frequency shift in a selected RUV peak to a lower frequency and increases the resonance peak bandwidth. Both characteristics were found to increase with the length of the crack. The frequency shift and bandwidth increase serve as reliable indicators of the crack appearance in silicon wafers and are suitable for mechanical quality control and fast wafer inspection

XRD and FTIR crystallinity indices in sound human tooth enamel and synthetic hydroxyapatite

Energy Technology Data Exchange (ETDEWEB)

Reyes-Gasga, José, E-mail: jreyes@fisica.unam.mx [Instituto de Física, UNAM, Circuito de la Investigación Científica s/n., Cd. Universitaria, Coyoacán 04510, México, D.F. (Mexico); Martínez-Piñeiro, Esmeralda L., E-mail: esmemapi@gmail.com [Instituto de Física, UNAM, Circuito de la Investigación Científica s/n., Cd. Universitaria, Coyoacán 04510, México, D.F. (Mexico); Rodríguez-Álvarez, Galois, E-mail: galoisborre@yahoo.com [Instituto de Física, UNAM, Circuito de la Investigación Científica s/n., Cd. Universitaria, Coyoacán 04510, México, D.F. (Mexico); Tiznado-Orozco, Gaby E., E-mail: gab0409@yahoo.com.mx [Unidad Académica de Odontología, Universidad Autónoma de Nayarit, Edificio E7, Ciudad de la Cultura “Amado Nervo”, C.P. 63190 Tepic, Nayarit (Mexico); García-García, Ramiro, E-mail: ramiro@fisica.unam.mx [Instituto de Física, UNAM, Circuito de la Investigación Científica s/n., Cd. Universitaria, Coyoacán 04510, México, D.F. (Mexico); and others

2013-12-01

The crystallinity index (CI) is a measure of the percentage of crystalline material in a given sample and it is also correlated to the degree of order within the crystals. In the literature two ways are reported to measure the CI: X-ray diffraction and infrared spectroscopy. Although the CI determined by these techniques has been adopted in the field of archeology as a structural order measure in the bone with the idea that it can help e.g. in the sequencing of the bones in chronological and/or stratigraphic order, some debate remains about the reliability of the CI values. To investigate similarities and differences between the two techniques, the CI of sound human tooth enamel and synthetic hydroxyapatite (HAP) was measured in this work by X-ray diffraction (XRD) and Fourier Transform Infrared spectroscopy (FTIR), at room temperature and after heat treatment. Although the (CI){sub XRD} index is related to the crystal structure of the samples and the (CI){sub FTIR} index is related to the vibration modes of the molecular bonds, both indices showed similar qualitative behavior for heat-treated samples. At room temperature, the (CI){sub XRD} value indicated that enamel is more crystalline than synthetic HAP, while (CI){sub FTIR} indicated the opposite. Scanning (SEM) and transmission (TEM) images were also used to corroborate the measured CI values. - Highlights: • XRD and FTIR crystallinity indices for tooth enamel and synthetic HAP were obtained. • SEM and TEM images were more correlated with (CI){sub XRD} than with (CI){sub FTIR}. • Regardless of the temperature, (CI){sub XRD} and (CI){sub FTIR} showed similar behavior. • XRD and FTIR crystallinity indices resulted in a fast and qualitative measurement.

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.

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

Precambrian evolution of the Salalah Crystalline Basement from structural analysis and 40Ar/39Ar geochronology

Science.gov (United States)

Al-Doukhi, Hanadi Abulateef

The Salalah Crystalline Basement (SCB) is the largest Precambrian exposure in Oman located on the southern margin of the Arabian Plate at the Arabian Sea shore. This work used remote sensing, detailed structural analysis and the analysis of ten samples using 40Ar/39Ar age dating to establish the Precambrian evolution of the SCB by focusing on its central and southwestern parts. This work found that the SCB evolved through four deformational events that shaped its final architecture: (1) Folding and thrusting event that resulted in the emplacement of the Sadh complex atop the Juffa complex. This event resulted in the formation of possibly N-verging nappe structure; (2) Regional folding event around SE- and SW-plunging axes that deformed the regional fabric developed during the N-verging nappe structure and produced map-scale SE- and SW-plunging antiforms shaping the complexes into a semi-dome structure; (3) Strike-slip shearing event that produced a conjugate set of NE-trending sinistral and NW-trending dextral strike-slip shear zones; and (4) Localized SE-directed gravitational collapse manifested by top-to-the-southeast kinematic indicators. Deformation within the SCB might have ceased by 752.2+/-2.7 Ma as indicated by an age given by an undeformed granite. The thermochron of samples collected throughout the SCB complexes shows a single cooling event that occurred between about 800 and 760 Ma. This cooling event could be accomplished by crustal exhumation resulting in regional collapse following the prolonged period of the contractional deformation of the SCB. This makes the SCB a possible metamorphic core complex.

Molecular Dynamics Study on Lubrication Mechanism in Crystalline Structure between Copper and Sulfur

Directory of Open Access Journals (Sweden)

Ken-ichi Saitoh

2015-01-01

Full Text Available To clarify the nanosized mechanism of good lubrication in copper disulfide (Cu2S crystal which is used as a sliding material, atomistic modeling of Cu2S is conducted and molecular dynamics (MD simulations are performed in this paper. The interatomic interaction between atoms and crystalline structure in the phase of hexagonal crystal of Cu2S are carefully estimated by first-principle calculations. Then, approximating these interactions, we originally construct a conventional interatomic potential function of Cu2S crystal in its hexagonal phase. By using this potential function, we perform MD simulation of Cu2S crystal which is subjected to shear loading parallel to the basal plane. We compare results obtained by different conditions of sliding directions. Unlike ordinary hexagonal metallic crystals, it is found that the easy-glide direction does not always show small shear stress for Cu2S crystal. Besides, it is found that shearing velocity affects largely the magnitude of averaged shear stress. Generally speaking, higher velocity results in higher resistance against shear deformation. As a result, it is understood that Cu2S crystal exhibits somewhat liquid-like (amorphous behavior in sliding condition and shear resistance increases with increase of sliding speed.

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.

Injection molding of ceramic filled polypropylene: The effect of thermal conductivity and cooling rate on crystallinity

International Nuclear Information System (INIS)

Suplicz, A.; Szabo, F.; Kovacs, J.G.

2013-01-01

Highlights: • BN, talc and TiO 2 in 30 vol% were compounded with polypropylene matrix. • According to the DSC measurements, the fillers are good nucleating agents. • The thermal conductivity of the fillers influences the cooling rate of the melt. • The higher the cooling rate is, the lower the crystallinity in the polymer matrix. - Abstract: Three different nano- and micro-sized ceramic powders (boron-nitride (BN), talc and titanium-dioxide (TiO 2 )) in 30 vol% have been compounded with a polypropylene (PP) matrix. Scanning electron microscopy (SEM) shows that the particles are dispersed smoothly in the matrix and larger aggregates cannot be discovered. The cooling gradients and the cooling rate in the injection-molded samples were estimated with numerical simulations and finite element analysis software. It was proved with differential scanning calorimetry (DSC) measurements that the cooling rate has significant influence on the crystallinity of the compounds. At a low cooling rate BN works as a nucleating agent so the crystallinity of the compound is higher than that of unfilled PP. On the other hand, at a high cooling rate, the crystallinity of the compound is lower than that of unfilled PP because of its higher thermal conductivity. The higher the thermal conductivity is, the higher the real cooling rate in the material, which influences the crystallization kinetics significantly

Chiral amplification of oligopeptides in two-dimensional crystalline self-assemblies on water

DEFF Research Database (Denmark)

Zepik, H.; Shavit, E.; Tang, M.

2002-01-01

from chiral nonracemic mixtures. The crystalline structures on the water surface were determined by grazing incidence x-ray diffraction and the diastereomeric composition of the oligopeptides by matrix-assisted laser desorption time-of-flight mass spectrometry with enantio-labeling. These results...

The Small Heal Shock Protein αA-Crystallin Is Expressed In Pancreas and Acts as Negative Regulator of Carcinogenesis

OpenAIRE

Deng , Mi; Chen , Pei-Chao; Xie , Sisi; Zhao , Junqiong; Gong , Lili; Liu , Jinping; Zhang , Lan; Sun , Shuming; Liu , Jiao; Ma , Haili; Batra , Surinder; Li , David Wan-Cheng

2010-01-01

Abstract The small heat shock protein ?A-crystallin is a structural protein in the ocular lens. In addition, recent studies have also revealed that it is a molecular chaperone, an autokinase and a strong anti-apoptotic regulator. Besides its lenticular distribution, a previous study demonstrates that a detectable level of ?A-crystallin is found in other tissues including thymus and spleen. In the present study, we have re-examined the distribution of ?A-crystallin in various normal...

Real parabolic vector bundles over a real curve

Indian Academy of Sciences (India)

Abstract. We define real parabolic structures on real vector bundles over a real curve. Let (X,σX ) be a real curve, and let S ⊂ X be a non-empty finite subset of X such that σX (S) = S. Let N ≥ 2 be an integer. We construct an N-fold cyclic cover p : Y → X in the category of real curves, ramified precisely over each point of S, ...

A structural VAR analysis of electricity consumption and real GDP: Evidence from the G7 countries

International Nuclear Information System (INIS)

Narayan, Paresh Kumar; Narayan, Seema; Prasad, Arti

2008-01-01

In this paper, we depart from the literature on electricity consumption-real GDP in that for the first time we examine the reaction of real GDP to shocks in electricity consumption. To achieve this goal, we use the structural vector autoregressive (SVAR) model and examine the impact of electricity consumption shocks on real GDP for the G7 countries. We find that except for the USA, electricity consumption has a statistically significant positive impact on real GDP over short horizons. This finding implies that except for the USA, electricity conservation policies will hurt real GDP in the G7 countries

Near Real Time Structural Health Monitoring with Multiple Sensors in a Cloud Environment

Science.gov (United States)

Bock, Y.; Todd, M.; Kuester, F.; Goldberg, D.; Lo, E.; Maher, R.

2017-12-01

A repeated near real time 3-D digital surrogate representation of critical engineered structures can be used to provide actionable data on subtle time-varying displacements in support of disaster resiliency. We describe a damage monitoring system of optimally-integrated complementary sensors, including Global Navigation Satellite Systems (GNSS), Micro-Electro-Mechanical Systems (MEMS) accelerometers coupled with the GNSS (seismogeodesy), light multi-rotor Unmanned Aerial Vehicles (UAVs) equipped with high-resolution digital cameras and GNSS/IMU, and ground-based Light Detection and Ranging (LIDAR). The seismogeodetic system provides point measurements of static and dynamic displacements and seismic velocities of the structure. The GNSS ties the UAV and LIDAR imagery to an absolute reference frame with respect to survey stations in the vicinity of the structure to isolate the building response to ground motions. The GNSS/IMU can also estimate the trajectory of the UAV with respect to the absolute reference frame. With these constraints, multiple UAVs and LIDAR images can provide 4-D displacements of thousands of points on the structure. The UAV systematically circumnavigates the target structure, collecting high-resolution image data, while the ground LIDAR scans the structure from different perspectives to create a detailed baseline 3-D reference model. UAV- and LIDAR-based imaging can subsequently be repeated after extreme events, or after long time intervals, to assess before and after conditions. The unique challenge is that disaster environments are often highly dynamic, resulting in rapidly evolving, spatio-temporal data assets with the need for near real time access to the available data and the tools to translate these data into decisions. The seismogeodetic analysis has already been demonstrated in the NASA AIST Managed Cloud Environment (AMCE) designed to manage large NASA Earth Observation data projects on Amazon Web Services (AWS). The Cloud provides

Crystalline mono- and multilayer self-assemblies of oligothiophenes at the air-water interface

DEFF Research Database (Denmark)

Isz, S.; Weissbuch, I.; Kjær, K.

1997-01-01

The formation of Langmuir monolayers at the air-water interface has long been believed to be limited to amphiphilic molecules containing a hydrophobic chain and a hydrophilic headgroup. Here we report the formation of crystalline mono- and multilayer self-assemblies of oligothiophenes, a class...... of aromatic nonamphiphilic molecules, self-aggregated at the air-water interface. As model systems we have examined the deposition of quaterthiophene (S-4), quinquethiophene (S-5). and sexithiophene (S-6) from chloroform solutions on the water surface. The structures of the films were determined by surface...... surface. S-5 self-ageregates at the water surface to form mixtures of monolayers and bilayers of the beta polymorph; S-6 forms primarily crystalline monolayers of both alpha and beta forms. The crystalline assemblies preserve their integrity during transfer from the water surface onto solid supports...

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

Relative crystallinity of plant biomass: studies on assembly, adaptation and acclimation.

Directory of Open Access Journals (Sweden)

Darby Harris

Full Text Available Plant biomechanical design is central to cell shape, morphogenesis, reproductive performance and protection against environmental and mechanical stress. The cell wall forms the central load bearing support structure for plant design, yet a mechanistic understanding of its synthesis is incomplete. A key tool for studying the structure of cellulose polymorphs has been x-ray diffraction and fourier transform infrared spectroscopy (FTIR. Relative crystallinity index (RCI is based on the x-ray diffraction characteristics of two signature peaks and we used this technique to probe plant assembly, adaptation and acclimation. Confocal microscopy was used to visualize the dynamics of cellulose synthase in transgenic Arabidopsis plants expressing a homozygous YFP::CESA6. Assembly: RCI values for stems and roots were indistinguishable but leaves had 23.4 and 21.6% lower RCI than stems and roots respectively. Adaptation: over 3-fold variability in RCI was apparent in leaves from 35 plant species spanning Ordovician to Cretaceous periods. Within this study, RCI correlated positively with leaf geometric constraints and with mass per unit area, suggestive of allometry. Acclimation: biomass crystallinity was found to decrease under conditions of thigmomorphogenesis in Arabidopsis. Further, in etiolated pea hypocotyls, RCI values also decreased compared to plants that were grown in light, consistent with alterations in FTIR cellulose fingerprint peaks and live cell imaging experiments revealing rapid orientation of the YFP::cellulose synthase-6 array in response to light. Herein, results and technical challenges associated with the structure of the cell wall that gives rise to sample crystallinity are presented and examined with respect to adaptation, acclimation and assembly in ecosystem-level processes.

Investigation of Partially Crystalline Zr77Ni23 Metallic Glass

Directory of Open Access Journals (Sweden)

Amra Salčinović Fetić

2016-08-01

Full Text Available This paper presents the results of an extensive research of partially crystalline Zr77Ni23 metallic glass (indicated numbers refer to atomic percentages. The partially crystalline Zr77Ni23 samples were prepared by melt-spinning using a device constructed in the Metal Physics Laboratory, Faculty of Science in Sarajevo. XRD pattern shows crystalline peaks which correspond to an orthorhombic structure of Zr3Ni superimposed on an amorphous pattern. Homogeneity and chemical composition were investigated using scanning electron microscopy (SEM and energy-dispersive X-ray spectroscopy (EDX. Crystallization was studied by differential scanning calorimetry (DSC. DSC analysis indicated a simple thermally activated process. Overall activation energy of the crystallization was calculated using Kissinger's model for nonisothermal process and compared with those given by the Augis-Bennett model. By monitoring of the electrical resistance in the temperature range 80 – 270 K a small and negative thermal coefficient of electrical resistance was observed. This means that electrical resistance varies slightly with temperature and it makes this metallic glass suitable for application in electronic circuits for which this property is an important requirement.

Real-time imaging, spectroscopy, and structural investigation of cathodic plasma electrolytic oxidation of molybdenum

Energy Technology Data Exchange (ETDEWEB)

Stojadinović, Stevan, E-mail: sstevan@ff.bg.ac.rs; Tadić, Nenad; Šišović, Nikola M.; Vasilić, Rastko [Faculty of Physics, University of Belgrade, Studentski trg 12-16, 11000 Belgrade (Serbia)

2015-06-21

In this paper, the results of the investigation of cathodic plasma electrolytic oxidation (CPEO) of molybdenum at 160 V in a mixed solution of borax, water, and ethylene glycol are presented. Real-time imaging and optical emission spectroscopy were used for the characterization of the CPEO. During the process, vapor envelope is formed around the cathode and strong electric field within the envelope caused the generation of plasma discharges. The spectral line shape analysis of hydrogen Balmer line H{sub β} (486.13 nm) shows that plasma discharges are characterized by the electron number density of about 1.4 × 10{sup 21 }m{sup −3}. The electron temperature of 15 000 K was estimated by measuring molybdenum atomic lines intensity. Surface morphology, chemical, and phase composition of coatings formed by CPEO were characterized by scanning electron microscopy with energy dispersive x-ray spectroscopy and x-ray diffraction. The elemental components of CPEO coatings are Mo and O and the predominant crystalline form is MoO{sub 3}.

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

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)

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

Highly crystalline mesoporous C{sub 60} with ordered pores. A class of nanomaterials for energy applications

Energy Technology Data Exchange (ETDEWEB)

Benzigar, Mercy R.; Joseph, Stalin; Ilbeygi, Hamid [Future Industries Institute (FII), Division of Information Technology Energy and Environment (DivITEE), University of South Australia, Adelaide, SA (Australia); Park, Dae-Hwan; Talapaneni, Siddulu Naidu [Global Innovative Center for Advanced Nanomaterials (GICAN), Faculty of Engineering and Built Environment, The University of Newcastle, Callaghan, NSW (Australia); Sarkar, Sujoy; Chandra, Goutam; Umapathy, Siva; Srinivasan, Sampath [Department of Inorganic and Physical Chemistry and Department of Instrumentation and Applied Physics, Indian Institute of Science (IISc), Bangalore (India); Vinu, Ajayan [Future Industries Institute (FII), Division of Information Technology Energy and Environment (DivITEE), University of South Australia, Adelaide, SA (Australia); Global Innovative Center for Advanced Nanomaterials (GICAN), Faculty of Engineering and Built Environment, The University of Newcastle, Callaghan, NSW (Australia)

2018-01-08

Highly ordered mesoporous C{sub 60} with a well-ordered porous structure and a high crystallinity is prepared through the nanohard templating method using a saturated solution of C{sub 60} in 1-chloronaphthalene (51 mg mL{sup -1}) as a C{sub 60} precursor and SBA-15 as a hard template. The high solubility of C{sub 60} in 1-chloronaphthalene helps not only to encapsulate a huge amount of the C{sub 60} into the mesopores of the template but also supports the oligomerization of C{sub 60} and the formation of crystalline walls made of C{sub 60}. The obtained mesoporous C{sub 60} exhibits a rod-shaped morphology, a high specific surface area (680 m{sup 2} g{sup -1}), tuneable pores, and a highly crystalline wall structure. This exciting ordered mesoporous C{sub 60} offers high supercapacitive performance and a high selectivity to H{sub 2}O{sub 2} production and methanol tolerance for ORR. This simple strategy could be adopted to make a series of mesoporous fullerenes with different structures and carbon atoms as a new class of energy materials. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Half-metallic zinc-blende pnictides in real environments

International Nuclear Information System (INIS)

Shi Lijie; Liu Banggui

2005-01-01

The structural stability of half-metallic zinc-blende pnictides and the robustness of their half-metallic ferromagnetism in the presence of tetragonal and orthorhombic crystalline deformations are studied using a full-potential linear augmented plane wave method within the density-functional theory. The total energies of zinc-blende MnAs, CrAs, and CrSb are proved to increase with deformation increase, in contrast to those of other zinc-blende half-metallic pnictides, and therefore these three are stable against the deformations but the others are not. This is consistent with the experimental fact that only these three have been fabricated. On the other hand, the half-metallic ferromagnetism of the latter two is proved to be robust enough to survive large crystal deformations. This implies that half-metallic ferromagnetism may be achieved experimentally even in substantially deformed zinc-blende ultrathin films or layers of CrAs and CrSb in real environments

Mechanical dispersion in fractured crystalline rock systems

International Nuclear Information System (INIS)

Lafleur, D.W.; Raven, K.G.

1986-12-01

This report compiles and evaluates the hydrogeologic parameters describing the flow of groundwater and transport of solutes in fractured crystalline rocks. This report describes the processes of mechanical dispersion in fractured crystalline rocks, and compiles and evaluates the dispersion parameters determined from both laboratory and field tracer experiments. The compiled data show that extrapolation of the reliable test results performed over intermediate scales (10's of m and 10's to 100's of hours) to larger spatial and temporal scales required for performance assessment of a nuclear waste repository in crystalline rock is not justified. The reliable measures of longitudinal dispersivity of fractured crystalline rock are found to range between 0.4 and 7.8 m

Nonionic diethanolamide amphiphiles with isoprenoid-type hydrocarbon chains: thermotropic and lyotropic liquid crystalline phase behaviour

Energy Technology Data Exchange (ETDEWEB)

Sagnella, Sharon M.; Conn, Charlotte E.; Krodkiewska, Irena; Drummond, Calum J. (CSIRO/MSE)

2014-09-24

The thermotropic and lyotropic liquid crystalline phase behaviour of a series of diethanolamide amphiphiles with isoprenoid-type hydrocarbon chains (geranoyl, H-farnesoyl, and phytanoyl) has been investigated. When neat, both H-farnesoyl and phytanoyl diethanolamide form a smectic liquid crystalline structure at sub-zero temperatures. In addition, all three diethanolamides exhibit a glass transition temperature at around -73 C. Geranoyl diethanolamide forms a lamellar crystalline phase with a lattice parameter of 17.4 {angstrom} following long term storage accompanied by the loss of the glass transition. In the presence of water, H-farnesoyl and phytanoyl diethanolamide form lyotropic liquid crystalline phases, whilst geranoyl diethanolamide forms an L{sub 2} phase. H-farnesoyl diethanolamide forms a fluid lamellar phase (L{sub {alpha}}) at room temperature and up to {approx} 40 C. Phytanoyl diethanolamide displays a rich mesomorphism forming the inverse diamond (Q{sub II}{sup D}) and gyroid (Q{sub II}{sup G}) bicontinuous cubic phases in addition to an L{sub {alpha}} phase.

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

mu-crystallin is a mammalian homologue of Agrobacterium ornithine cyclodeaminase and is expressed in human retina.

OpenAIRE

Kim, R Y; Gasser, R; Wistow, G J

1992-01-01

mu-Crystallin is the major component of the eye lens in several Australian marsupials. The complete sequence of kangaroo mu-crystallin has now been obtained by cDNA cloning. The predicted amino acid sequence shows similarity with ornithine cyclodeaminases encoded by the tumor-inducing (Ti) plasmids of Agrobacterium tumefaciens. Until now, neither ornithine cyclodeaminase nor any structurally related enzymes have been observed in eukaryotes. RNA analysis of kangaroo tissues shows that mu-cryst...

Principles and operation of crystalline and amorphous silicon solar cells

International Nuclear Information System (INIS)

Chambouleyron, I.

1983-01-01

This paper deals with the fundamental aspects of photovoltaic energy conversion. Crystalline silicon solar cell physics together with design criteria and conversion losses are discussed. The general properties of hydrogenated amorphous silicon and the principles of a-Si:H solar cell operation are briefly reviewed. New trends in amorphous materials of photovoltaic interest and novel device structures are finally presented. (Author) [pt

CHAR CRYSTALLINE TRANSFORMATIONS DURING COAL COMBUSTION AND THEIR IMPLICATIONS FOR CARBON BURNOUT

Energy Technology Data Exchange (ETDEWEB)

ROBERT H. HURT

1998-09-08

Recent work at Sandia National Laboratories, Imperial College, and the U.K. utility PowerGen, has identified an important mechanism believed to have a large influence on unburned carbon levels from pulverized coal-fired boilers. That mechanism is char carbon crystalline rearrangements on subsecond times scales at temperatures of 1800 - 2500 K, which lead to char deactivation in the flame zones of furnaces. The so-called thermal annealing of carbons is a well known phenomenon, but its key role in carbon burnout has only recently been appreciated, and there is a lack of quantitative data in this time/temperature range. In addition, a new fundamental tool has recently become available to study crystalline transformations, namely high resolution transmission electron microscopy (HRTEM) fringe imaging, which provides a wealth of information on the nature and degree of crystallinity in carbon materials such as coal chars. Motivated by these new developments, this University Coal Research project has been initiated with the following two goals:  to determine transient, high-temperature, thermal deactivation kinetics as a function of parent coal and temperature history.  to characterize the effect of this thermal treatment on carbon crystalline structure through high-resolution transmission electron microscopy and specialized, quantitative image analysis. Work is currently underway on the following three tasks: Task 1 Experimental technique development. The goal of this task is to develop and demonstrate an apparatus and procedure for measuring transient, high-temperature, thermal deactivation of coal chars. While peak gas temperatures in boilers are often in the range 1800 - 2000 K, peak particle temperatures can be much higher due to high rates of heat release at the particle surface due to exothermic carbon oxidation. The prototype transient heat treatment apparatus is based on an inert-gas purged graphite-rod sample holder that is subjected to rapid Joule heating to

Generic Crystalline Disposal Reference Case

Energy Technology Data Exchange (ETDEWEB)

Painter, Scott Leroy [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chu, Shaoping [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Harp, Dylan Robert [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Perry, Frank Vinton [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Wang, Yifeng [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-02-20

A generic reference case for disposal of spent nuclear fuel and high-level radioactive waste in crystalline rock is outlined. The generic cases are intended to support development of disposal system modeling capability by establishing relevant baseline conditions and parameters. Establishment of a generic reference case requires that the emplacement concept, waste inventory, waste form, waste package, backfill/buffer properties, EBS failure scenarios, host rock properties, and biosphere be specified. The focus in this report is on those elements that are unique to crystalline disposal, especially the geosphere representation. Three emplacement concepts are suggested for further analyses: a waste packages containing 4 PWR assemblies emplaced in boreholes in the floors of tunnels (KBS-3 concept), a 12-assembly waste package emplaced in tunnels, and a 32-assembly dual purpose canister emplaced in tunnels. In addition, three failure scenarios were suggested for future use: a nominal scenario involving corrosion of the waste package in the tunnel emplacement concepts, a manufacturing defect scenario applicable to the KBS-3 concept, and a disruptive glaciation scenario applicable to both emplacement concepts. The computational approaches required to analyze EBS failure and transport processes in a crystalline rock repository are similar to those of argillite/shale, with the most significant difference being that the EBS in a crystalline rock repository will likely experience highly heterogeneous flow rates, which should be represented in the model. The computational approaches required to analyze radionuclide transport in the natural system are very different because of the highly channelized nature of fracture flow. Computational workflows tailored to crystalline rock based on discrete transport pathways extracted from discrete fracture network models are recommended.

X-ray free electron laser and its application to 3-dimensional imaging of non-crystalline nano-structure

International Nuclear Information System (INIS)

Ishikawa, Tetsuya

2007-01-01

The Laser in the X-ray region has been anticipated to be realized as a light source to probe the nano-world. Free electron lasers using high energy electron accelerators have been promising the candidates. The finding of the principle of Self-Amplified Spontaneous Emission (SASE) resolved the technological difficulties accompanying the X-ray free electron laser, and the construction of large scale SASE facilities started in western countries. In Japan the construction of an SASE facility started in 2006 to be completed in 2010 at the site of the large synchrotron radiation facility, SPring-8 positioned as a 'critical technology of national importance' by the Japanese government. The principle of the X-ray free electron laser is explained and the outline of the Japanese facility construction plan is presented. Also the application of the X-ray laser to the imaging of non-crystalline nano-structure is introduced. (K.Yoshida)

Carrier mobility in mesoscale heterogeneous organic materials: Effects of crystallinity and anisotropy on efficient charge transport

Science.gov (United States)

Kobayashi, Hajime; Shirasawa, Raku; Nakamoto, Mitsunori; Hattori, Shinnosuke; Tomiya, Shigetaka

2017-07-01

Charge transport in the mesoscale bulk heterojunctions (BHJs) of organic photovoltaic devices (OPVs) is studied using multiscale simulations in combination with molecular dynamics, the density functional theory, the molecular-level kinetic Monte Carlo (kMC) method, and the coarse-grained kMC method, which was developed to estimate mesoscale carrier mobility. The effects of the degree of crystallinity and the anisotropy of the conductivity of donors on hole mobility are studied for BHJ structures that consist of crystalline and amorphous pentacene grains that act as donors and amorphous C60 grains that act as acceptors. We find that the hole mobility varies dramatically with the degree of crystallinity of pentacene because it is largely restricted by a low-mobility amorphous region that occurs in the hole transport network. It was also found that the percolation threshold of crystalline pentacene is relatively high at approximately 0.6. This high percolation threshold is attributed to the 2D-like conductivity of crystalline pentacene, and the threshold is greatly improved to a value of approximately 0.3 using 3D-like conductive donors. We propose essential guidelines to show that it is critical to increase the degree of crystallinity and develop 3D conductive donors for efficient hole transport through percolative networks in the BHJs of OPVs.

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...

Photoluminescence of crystalline and disordered BTO:Mn powder: Experimental and theoretical modeling

International Nuclear Information System (INIS)

Gurgel, M.F.C.; Espinosa, J.W.M.; Campos, A.B.; Rosa, I.L.V.; Joya, M.R.; Souza, A.G.; Zaghete, M.A.; Pizani, P.S.; Leite, E.R.; Varela, J.A.; Longo, E.

2007-01-01

Disordered and crystalline Mn-doped BaTiO 3 (BTO:Mn) powders were synthesized by the polymeric precursor method. After heat treatment, the nature of visible photoluminescence (PL) at room temperature in amorphous BTO:Mn was discussed, considering results of experimental and theoretical studies. X-ray diffraction (XRD), PL, and UV-vis were used to characterize this material. Rietveld refinement of the BTO:Mn from XRD data was used to built two models, which represent the crystalline BTO:Mn (BTO:Mn c ) and disordered BTO:Mn (BTO:Mn d ) structures. Theses models were analyzed by the periodic ab initio quantum mechanical calculations using the CRYSTAL98 package within the framework of density functional theory at the B3LYP level. The experimental and theoretical results indicated that PL is related with the degree of disorder in the BTO:Mn powders and also suggests the presence of localized states in the disordered structure

Tuning metal–carboxylate coordination in crystalline metal–organic frameworks through surfactant media

Energy Technology Data Exchange (ETDEWEB)

Gao, Junkuo [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Ye, Kaiqi [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012 (China); He, Mi [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore); Xiong, Wei-Wei; Cao, Wenfang; Lee, Zhi Yi [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Wang, Yue [State Key Laboratory of Supramolecular Structure and Materials, Jilin University, Changchun 130012 (China); Wu, Tom [Division of Physics and Applied Physics, School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore 637371 (Singapore); Huo, Fengwei [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Liu, Xiaogang [Department of Chemistry, National University of Singapore, Singapore 117543 (Singapore); Institute of Materials Research Engineering, Agency for Science, Technology and Research, Singapore 117602 (Singapore); Zhang, Qichun, E-mail: qczhang@ntu.edu.sg [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639798 (Singapore)

2013-10-15

Although it has been widely demonstrated that surfactants can efficiently control the size, shape and surface properties of micro/nanocrystals of metal–organic frameworks (MOFs) due to the strong interactions between surfactants and crystal facets of MOFs, the use of surfactants as reaction media to grow MOF single crystals is unprecedented. In addition, compared with ionic liquids, surfactants are much cheaper and can have multifunctional properties such as acidic, basic, neutral, cationic, anionic, or even block. These factors strongly motivate us to develop a new synthetic strategy: growing crystalline MOFs in surfactants. In this report, eight new two-dimensional (2D) or three-dimensional (3D) MOFs have been successfully synthesized in an industrially-abundant and environmentally-friendly surfactant: polyethylene glycol-200 (PEG-200). Eight different coordination modes of carboxylates, ranging from monodentate η{sup 1} mode to tetra-donor coordination µ{sub 3}-η{sup 1}:η{sup 2}:η{sup 1} mode, have been founded in our research. The magnetic properties of Co-based MOFs were investigated and MOF NTU-Z6b showed a phase transition with a Curie temperature (T{sub c}) at 5 K. Our strategy of growing crystalline MOFs in surfactant could offer exciting opportunities for preparing novel MOFs with diverse structures and interesting properties. - Graphical abstract: Surfactants have been used as reaction media to grow MOF single crystals for the first time. Eight new two-dimensional or three-dimensional MOFs were successfully synthesized in surfactant polyethylene glycol-200 (PEG-200). Coordination modes of carboxylates up to eight were founded. Our strategy of growing crystalline MOFs in surfactant could offer exciting opportunities for preparing novel MOFs with diverse structures and interesting properties. Display Omitted - Highlights: • Surfactant-thermal synthesis of crystalline metal–organic frameworks. • Eight new 2-D or 3-D metal–organic frameworks

Synthesis, structure and optical properties of single-crystalline In{sub 2}O{sub 3} nanowires

Energy Technology Data Exchange (ETDEWEB)

Hadia, N.M.A., E-mail: nomery_abass@yahoo.com [Physics Department, Faculty of Science, Sohag University, 82524 Sohag (Egypt); Mohamed, H.A. [Physics Department, Faculty of Science, Sohag University, 82524 Sohag (Egypt); King Saud University, Teachers College, Science Department (Physics), 11148 Riyadh (Saudi Arabia)

2013-01-15

Highlights: Black-Right-Pointing-Pointer Metal and metal oxide one dimensional (1D) nanostructured materials are of crucial importance. Black-Right-Pointing-Pointer The paper deals with the synthesis of In{sub 2}O{sub 3} nanowires without the use of catalysts. Black-Right-Pointing-Pointer The optical constants and Photoluminescence (PL) of In{sub 2}O{sub 3} nanowires were evaluated. - Abstract: Indium oxide In{sub 2}O{sub 3} nanowires have been recently synthesized revealing interesting properties and used in various applications. In order to reduce as much as possible the influence of undesired dopants and/or impurities on the observed properties, In{sub 2}O{sub 3} nanowires have been grown without the use of catalysts, directly from metallic indium by a vapor transport technique and a controlled oxidation with oxygen-argon mixtures. Depending on the growth conditions (temperature, vapor pressure, oxygen concentration, etc.) different results have been achieved and it has been observed that a 'proper' In condensation on the substrates may enhance the nanowires growth. Detailed structural analysis showed that the In{sub 2}O{sub 3} nanostructures are single crystalline with a cubic crystal structure. The grown In{sub 2}O{sub 3} nanowires were optically characterized in order to evaluate the absorption coefficient, optical band gap, refractive index and extinction coefficient. Room temperature Photoluminescence (PL) spectrum showed broad and intense blue emission at 375 nm.

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

Science.gov (United States)

Wang, Haopeng

With the recent advances in processing and catalyst technology, novel morphologies have been created in crystalline polymers and they are expected to substantially impact the properties. To reveal the structure-property relationships of some of these novel polymeric systems becomes the primary focus of this work. In the first part, using an innovative layer-multiplying coextrusion process to obtain assemblies with thousands of polymer nanolayers, dominating "in-plane" lamellar crystals were created when the confined poly(ethylene oxide) (PEO) layers were made progressively thinner. When the thickness was confined to 25 nanometers, the PEO crystallized as single, high-aspect-ratio lamellae that resembled single crystals. This crystallization habit imparted more than two orders of magnitude reduction in the gas permeability. The dramatic decrease in gas permeability was attributed to the reduced diffusion coefficient, because of the increase in gas diffusion path length through the in-plane lamellae. The temperature dependence of lamellar orientation and the crystallization kinetics in the confined nanolayers were also investigated. The novel olefinic block copolymer (OBC) studied in the second part consisted of long crystallizable sequences with low comonomer content alternating with rubbery amorphous blocks with high comonomer content. The crystallizable blocks formed lamellae that organized into space-filling spherulites even when the fraction of crystallizable block was so low that the crystallinity was only 7%. These unusual spherulites were highly elastic and recovered from strains as high as 300%. These "elastic spherulites" imparted higher strain recovery and temperature resistance than the conventional random copolymers that depend on isolated, fringed micellar-like crystals to provide the junctions for the elastomeric network. In the third part, positron annihilation lifetime spectroscopy (PALS) was used to obtain the temperature dependence of the free

Synthesis and chlorination of manganese-columbine by means of a solid-gas reaction. Determination of crystalline structures

International Nuclear Information System (INIS)

Gonzales, J.; Ruiz, M. del C.

1997-01-01

Full text. The synthesis of mangano-columbite was carried out as follows: Mixing of N B 203 and Mn Cl 2 with an 10% weight excess of the latter in order to compensate for losses due to volatilization; grinding of the mixture in an agate mortar with agate handle in order to achieve close contact between the two solids; calcination of the sample in a quartz crucible at temperatures between 610 and 620 C (fusion temperature for Mn Cl2) in N2 current for six hours. After this time, temperature was increased at a eat of 50 C/h until reaching 800 C. This temperature was maintained for two hours in order to eliminate Mn Cl2 excess; cooling of the obtained product in N2 current. XRD analysis showed that the obtained products is a mangano-columbite. The mineral in natural state presents and orthorhombic structure. The structure of the synthesized product, though corresponding to mangano-columbite according to DRX, should be confirmed by means of an additional technique such as EXAFS. Th mangano-columbite obtained was subsequently chlorinated at 900 deg C for two hours to obtain conversions close to 50%, at 101 kPa, with a chlorine molar fraction of 1 and a flow of 50 cm3/min. By XRD it can be observed that the chlorination residue presents unreacted mangano-columbite and niobium oxide in an unknown phase, whose crystalline structure is currently under study. Measurements to be performed by means Synchrotron Radiation (EXAFS and XANES) might help elucidate this new structure. (author)

Nickel hydroxide–carbon nanotube nanocomposites as supercapacitor electrodes: crystallinity dependent performances

International Nuclear Information System (INIS)

Jiang, Wenchao; Zhai, Shengli; Wei, Li; Yuan, Yang; Yu, Dingshan; Chen, Yuan; Wang, Liang; Wei, Jun

2015-01-01

Nickel hydroxide (Ni(OH)_2) is a promising pseudocapacitive material to increase the energy storage capacity of supercapacitors. Ni(OH)_2 has three common crystalline structures: amorphous (amor-), α-, and β-Ni(OH)_2. There is a lack of good understanding on their pros and cons as supercapacitor electrodes. In this work, we synthesized three nanocomposites with thin layers (10–15 nm) of amor-, α-, and β-Ni(OH)_2 deposited on conductive multi-walled carbon nanotubes (MWCNTs). The mass loading of Ni(OH)_2 is analogous in these nanocomposites, ranging from 49.1–52.2 wt% with a comparable narrow-pore size distribution centered around 4–5 nm. They were fabricated into supercapacitor electrodes at a mass loading of 6 mg cm"−"2 with a thickness of ∼250 μm, similar to the electrodes used in commercial supercapacitors. Our results show that MWCNT/amor-Ni(OH)_2 has the highest specific capacitance (1495 or 2984 F g"−"1, based on the mass of total active materials or Ni(OH)_2 only at the scan rate of 5 mV s"−"1 in 1 M KOH electrolyte). It also has the best rate capability among the three nanocomposites. Better performances can be attributed to its disordered structure, which increases its effective surface area and reduces diffusion resistance for redox reactions. However, superior performances gradually deteriorate to the same level as that of MWCNT/β-Ni(OH)_2 over 3000 charge/discharge cycles, because amor- and α-Ni(OH)_2 transform slowly to more ordered β-Ni(OH)_2. Our results highlight that the electrochemical performances of MWCNT/Ni(OH)_2 nanocomposites depend on the crystallinity of Ni(OH)_2, and the performances of electrodes change upon the crystalline structure transformation of Ni(OH)_2 under repeated redox reactions. Future research should focus on improving the structure stability of amor-Ni(OH)_2. (paper)

Controlling growth density and patterning of single crystalline silicon nanowires

International Nuclear Information System (INIS)

Chang, Tung-Hao; Chang, Yu-Cheng; Liu, Fu-Ken; Chu, Tieh-Chi

2010-01-01

This study examines the usage of well-patterned Au nanoparticles (NPs) as a catalyst for one-dimensional growth of single crystalline Si nanowires (NWs) through the vapor-liquid-solid (VLS) mechanism. The study reports the fabrication of monolayer Au NPs through the self-assembly of Au NPs on a 3-aminopropyltrimethoxysilane (APTMS)-modified silicon substrate. Results indicate that the spin coating time of Au NPs plays a crucial role in determining the density of Au NPs on the surface of the silicon substrate and the later catalysis growth of Si NWs. The experiments in this study employed optical lithography to pattern Au NPs, treating them as a catalyst for Si NW growth. The patterned Si NW structures easily produced and controlled Si NW density. This approach may be useful for further studies on single crystalline Si NW-based nanodevices and their properties.

Temporal changes in wood crystalline cellulose during degradation by brown rot fungi

DEFF Research Database (Denmark)

Howell, Caitlin; Hastrup, Anne Christine Steenkjær; Goodell, Barry

2009-01-01

The degradation of wood by brown rot fungi has been studied intensely for many years in order to facilitate the preservation of in-service wood. In this work we used X-ray diffraction to examine changes in wood cellulose crystallinity caused by the brown rot fungi Gloeophyllum trabeum, Coniophora...... planes in all degraded samples after roughly 20% weight loss, as well as a decrease in the average observed relative peak width at 2¿ = 22.2°. These results may indicate a disruption of the outer most semi-crystalline cellulose chains comprising the wood microfibril. X-ray diffraction analysis of wood...... subjected to biological attack by fungi may provide insight into degradative processes and wood cellulose structure....

Crystalline structure and XMCD studies of Co40Fe40B20 grown on Bi2Te3, BiTeI and Bi2Se3

OpenAIRE

Kaveev, A. K.; Sokolov, N. S.; Suturin, S. M.; Zhiltsov, N. S.; Golyashov, V. A.; Tereshchenko, O. E.; Prosvirin, I. P.; Kokh, K. A.; Sawada, M.

2018-01-01

Epitaxial films of Co40Fe40B20 (further - CoFeB) were grown on Bi2Te3(001) and Bi2Se3(001) substrates by laser molecular beam epitaxy (LMBE) technique at 200-400C. Bcc-type crystalline structure of CoFeB with (111) plane parallel to (001) plane of Bi2Te3 was observed, in contrast to polycrystalline CoFeB film formed on Bi2Se3(001) at RT using high-temperature seeding layer. Therefore, structurally ordered ferromagnetic thin films were obtained on the topological insulator surface for the firs...

Coarse-grained model for the interconversion between different crystalline cellulose allomorphs

Energy Technology Data Exchange (ETDEWEB)

Langan, Paul [ORNL

2012-01-01

We present the results of Langevin dynamics simulations on a coarse grained model for crystalline cellulose. In particular, we analyze two different cellulose crystalline forms: cellulose I (the natural form of cellulose) and cellulose IIII (obtained after cellulose I is treated with anhydrous liquid ammonia). Cellulose IIII has been the focus of wide interest in the field of cellulosic biofuels as it can be efficiently hydrolyzed to glucose (its enzymatic degradation rates are up to 5 fold higher than those of cellulose I ). In turn, glucose can eventually be fermented into fuels. The coarse-grained model presented in this study is based on a simplified geometry and on an effective potential mimicking the changes in both intracrystalline hydrogen bonds and stacking interactions during the transition from cellulose I to cellulose IIII. The model accurately reproduces both structural and thermomechanical properties of cellulose I and IIII. The work presented herein describes the structural transition from cellulose I to cellulose IIII as driven by the change in the equilibrium state of two degrees of freedom in the cellulose chains. The structural transition from cellulose I to cellulose IIII is essentially reduced to a search for optimal spatial arrangement of the cellulose chains.

A Transition Metal-Binding, Trimeric βγ-Crystallin from Methane-Producing Thermophilic Archaea, Methanosaeta thermophila.

Science.gov (United States)

Srivastava, Shanti Swaroop; Jamkhindikar, Aditya Anand; Raman, Rajeev; Jobby, Maroor K; Chadalawada, Swathi; Sankaranarayanan, Rajan; Sharma, Yogendra

2017-03-07

βγ-Crystallins are important constituents of the vertebrate eye lens, whereas in microbes, they are prevalent as Ca 2+ -binding proteins. In archaea, βγ-crystallins are conspicuously confined to two methanogens, viz., Methanosaeta and Methanosarcina. One of these, i.e., M-crystallin from Methanosarcina acetivorans, has been shown to be a typical Ca 2+ -binding βγ-crystallin. Here, with the aid of a high-resolution crystal structure and isothermal titration calorimetry, we report that "Methallin", a βγ-crystallin from Methanosaeta thermophila, is a trimeric, transition metal-binding protein. It binds Fe, Ni, Co, or Zn ion with nanomolar affinity, which is consistent even at 55 °C, the optimal temperature for the methanogen's growth. At the center of the protein trimer, the metal ion is coordinated by six histidines, two from each protomer, leading to an octahedral geometry. Small-angle X-ray scattering analysis confirms that the trimer seen in the crystal lattice is a biological assembly; this assembly dissociates to monomers upon removal of the metal ion. The introduction of two histidines (S17H/S19H) into a homologous βγ-crystallin, Clostrillin, allows it to bind nickel at the introduced site, though with micromolar affinity. However, because of the lack of a compatible interface, nickel binding could not induce trimerization, affirming that Methallin is a naturally occurring trimer for high-affinity transition metal binding. While βγ-crystallins are known to bind Ca 2+ and form homodimers and oligomers, the transition metal-binding, trimeric Methallin is a new paradigm for βγ-crystallins. The distinct features of Methallin, such as nickel or iron binding, are also possible imprints of biogeochemical changes during the period of its origin.

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.

Poly(3-hexylthiophene) films by electrospray deposition for crystalline silicon/organic hybrid junction solar cells

Energy Technology Data Exchange (ETDEWEB)

Hiate, Taiga; Miyauchi, Naoto; Tang, Zeguo; Ishikawa, Ryo; Ueno, Keiji; Shirai, Hajime [Graduate School of Science and Engineering, Saitama University, 255 Shimo-Okubo, Sakura, Saitama 858-3676 (Japan)

2012-10-15

The electrospray deposition (ESD) of poly(3-hexylthiophene) (P3HT) and conductive poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) on P3HT for use in crystalline silicon/organic hybrid heterojunction solar cells on CZ crystalline silicon (c-Si) (100) wafer was investigated using real-time characterization by spectroscopic ellipsometry (SE). In contrast to the nonuniform deposition of products frequently obtained by conventional spin-coating, a uniform deposition of P3HT and PEDOT:PSS films were achieved on flat and textured hydrophobic c-Si(100) wafers by adjusting the deposition conditions. The c-Si/P3HT/PEDOT:PSS heterojunction solar cells exhibited efficiencies of 4.1 and 6.3% on flat and textured c-Si(100) wafers, respectively. These findings suggest that ESD is a promising method for the uniform deposition of P3HT and PEDOT:PSS films on flat and textured hydrophobic substrates. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Production of crystalline refractory metal oxides containing colloidal metal precipitates and useful as solar-effective absorbers

Science.gov (United States)

Narayan, Jagdish; Chen, Yok

1983-01-01

This invention is a new process for producing refractory crystalline oxides having improved or unusual properties. The process comprises the steps of forming a doped-metal crystal of the oxide; exposing the doped crystal in a bomb to a reducing atmosphere at superatmospheric pressure and a temperature effecting precipitation of the dopant metal in the crystal lattice of the oxide but insufficient to effect net diffusion of the metal out of the lattice; and then cooling the crystal. Preferably, the cooling step is effected by quenching. The process forms colloidal precipitates of the metal in the oxide lattice. The process may be used, for example, to produce thermally stable black MgO crystalline bodies containing magnetic colloidal precipitates consisting of about 99% Ni. The Ni-containing bodies are solar-selective absorbers, having a room-temperature absorptivity of about 0.96 over virtually all of the solar-energy spectrum and exhibiting an absorption edge in the region of 2 .mu.m. The process parameters can be varied to control the average size of the precipitates. The process can produce a black MgO crystalline body containing colloidal Ni precipitates, some of which have the face-centered-cubic structure and others of which have the body-centered cubic structure. The products of the process are metal-precipitate-containing refractory crystalline oxides which have improved or unique optical, mechanical, magnetic, and/or electronic properties.

Self-diffusion in single crystalline silicon nanowires

Science.gov (United States)

Südkamp, T.; Hamdana, G.; Descoins, M.; Mangelinck, D.; Wasisto, H. S.; Peiner, E.; Bracht, H.

2018-04-01

Self-diffusion experiments in single crystalline isotopically controlled silicon nanowires with diameters of 70 and 400 nm at 850 and 1000 °C are reported. The isotope structures were first epitaxially grown on top of silicon substrate wafers. Nanowires were subsequently fabricated using a nanosphere lithography process in combination with inductively coupled plasma dry reactive ion etching. Three-dimensional profiling of the nanosized structure before and after diffusion annealing was performed by means of atom probe tomography (APT). Self-diffusion profiles obtained from APT analyses are accurately described by Fick's law for self-diffusion. Data obtained for silicon self-diffusion in nanowires are equal to the results reported for bulk silicon crystals, i.e., finite size effects and high surface-to-volume ratios do not significantly affect silicon self-diffusion. This shows that the properties of native point defects determined from self-diffusion in bulk crystals also hold for nanosized silicon structures with diameters down to 70 nm.

The molecular chaperone α-crystallin inhibits UV-induced protein aggregation

International Nuclear Information System (INIS)

Borkman, R.F.; Knight, Grady; Obi, Bettie

1996-01-01

Solutions of γ-crystallin, and various enzymes, at neutral pH and 24-26 o C, became turbid upon exposure to UV radiation at 295 or 308 nm. SDS-PAGE analysis revealed interchain cross-linking and aggregate formation compared to dark control solutions as reported previously. When α-crystallin was added to the protein solutions in stoichiometric amounts. UV irradiation resulted in significantly less turbidity than in the absence of α-crystallin. For example, addition of 0.5 mg of α-crystallin to 0.5 mg of γ-crystallin in 1.0 ml solution yielded only 25% of the turbidity seen in the absence of α-crystallin. Addition of 2.0 mg of α-crystallin resulted in 20% of the turbidity. Given the molecular weights of α- and γ-crystallin (about 800 kDa and 20 kDa, respectively), A γ/α 1:1 weight ratio corresponds to a 40:1 molar ratio, and a γ-/α 1:4 weight ratio corresponds to a 10:1 molar ratio. Hence, the molar ratio of α-crystallin needed to effectively protect γ-crystallin from photochemical opacification was γ/α = n:1, where n was in the range 10-40. In terms of subunits, this ratio is γ/α = 1:m, where m = 1-4. Thus, each γ-crystallin molecule needs 1-4 α subunits for protection. Similar stoichiometries were observed for protection of the other proteins studied. The protection stems in part from screening of UV radiation by α-crystallin but more importantly from a chaperone effect analogous to that seen in thermal aggregation experiments. (author)

Crystalline silicon films grown by pulsed dc magnetron sputtering

Energy Technology Data Exchange (ETDEWEB)

Reinig, Peter; Fenske, Frank; Fuhs, Walther; Selle, Burkhardt [Hahn-Meitner-Institut Berlin, Abt. Silizium-Photovoltaik, Kekulestr. 5, D-12489 Berlin (Germany)

2002-04-01

Pulsed dc magnetron sputtering is used as a novel method for the deposition of crystalline silicon films on glass substrates. Hydrogen-free polycrystalline Si-films are deposited with high deposition rates at temperatures of 400-450 C and pulse frequencies f in the range 0-250 kHz. Strong preferential (100) orientation of the crystallites is observed with increasing f. High frequency and similarly high negative substrate bias cause an increase of the Ar content and an enhancement of structural disorder. Measurements of the transient floating potential suggest that the observed structural effects are related to bombardment of the growing film by Ar{sup +} ions of high energy.

Enhancement of polar crystalline phase formation in transparent PVDF-CaF{sub 2} composite films

Energy Technology Data Exchange (ETDEWEB)

Lee, Sang Goo; Ha, Jong-Wook, E-mail: jongwook@krict.re.kr; Sohn, Eun-Ho; Park, In Jun; Lee, Soo-Bok

2016-12-30

Highlights: • The crystalline phase in transparent PVDF-CaF{sub 2} composite films was investigated. • CaF{sub 2} promoted the formation of polar crystalline phases in PVDF matrix. • Ordered γ-phase was obtained by thermal treatment of as-cast films at the vicinity of its melting temperature. - Abstract: We consider the influence of calcium fluoride (CaF{sub 2}) nanoparticles on the crystalline phase formation of poly(vinylidene fluoride) (PVDF) for the first time. The transparent PVDF-CaF{sub 2} composite films were prepared by casting on PET substrates using N,N-dimethylacetamide (DMAc) as a solvent. It was found that CaF{sub 2} promoted the formation of polar crystalline phase of PVDF in composites, whereas nonpolar α-phase was dominant in the neat PVDF film prepared at the same condition. The portion of polar crystalline phase increased in proportional to the weight fraction of CaF{sub 2} in the composite films up to 10 wt%. Further addition of CaF{sub 2} suppressed completely the α-phase formation. Polar crystalline phase observed in as-cast composite films was a mixture of β- and γ-polymorph structures. It was also shown that much ordered γ-phase could be obtained through thermal treatment of as-cast PVDF-CaF{sub 2} composite film at the temperatures above the melting temperature of the composite films, but below that of γ-phase.

Dangling bonds and crystalline inclusions in amorphous materials

Energy Technology Data Exchange (ETDEWEB)

Ferrari, L [Ferrara Univ. (Italy). Ist. di Matematica; Russo, G [Bologna Univ. (Italy). Ist. di Fisica

1981-02-07

It is suggested that on the surface of crystalline inclusions dangling bond formation is favoured due to unbalanced local stresses. The energy for bond tearings is probably originated from the exothermic process leading to the crystalline inclusion configuration which is more stable than the original amorphous one. A thermodynamical calculation is performed giving the ratio nsub(k) of crystalline inclusions having k dangling bonds on their surface.

Growth of large-size-two-dimensional crystalline pentacene grains for high performance organic thin film transistors

Directory of Open Access Journals (Sweden)

Chuan Du

2012-06-01

Full Text Available New approach is presented for growth of pentacene crystalline thin film with large grain size. Modification of dielectric surfaces using a monolayer of small molecule results in the formation of pentacene thin films with well ordered large crystalline domain structures. This suggests that pentacene molecules may have significantly large diffusion constant on the modified surface. An average hole mobility about 1.52 cm2/Vs of pentacene based organic thin film transistors (OTFTs is achieved with good reproducibility.

The influence of metal interlayers on the structural and optical properties of nano-crystalline TiO 2 films

KAUST Repository

Yang, Yong

2012-03-01

TiO 2-M-TiO 2 (M = W, Co and Ag) multilayer films have been deposited on glass substrates using reactive magnetron sputtering, then annealed in air for 2 h at 500°C. The structure, surface morphology and optical properties of the films have been studied using X-ray diffraction, Raman spectroscopy, atomic force microscopy and UV-vis spectroscopy. The TiO 2-W-TiO 2 and TiO 2-Co-TiO 2 films showed crystalline phases, whereas the TiO 2-Ag-TiO 2 films remained in the amorphous state. The crystallization temperature for the TiO 2-M-TiO 2 films decreased significantly compared with pure TiO 2 film deposited on quartz. Detailed analysis of the Raman spectra suggested that the crystallization of TiO 2-M-TiO 2 films was associated with the large structural deformation imposed by the oxidation of intermediate metal layers. Moreover, the optical band gap of the films narrowed due to the appearance of impurity levels as the metal ions migrated into the TiO 2 matrix. These results indicate that the insertion of intermediate metal layers provides a feasible access to improve the structural and optical properties of anatase TiO 2 films, leading to promising applications in the field of photocatalysis. © 2011 Elsevier B.V. All rights reserved.

Picosecond laser ablation of poly-L-lactide: Effect of crystallinity on the material response

International Nuclear Information System (INIS)

Ortiz, Rocio; Quintana, Iban; Etxarri, Jon; Lejardi, Ainhoa; Sarasua, Jose-Ramon

2011-01-01

The picosecond laser ablation of poly-L-lactide (PLLA) as a function of laser fluence and degree of crystallinity was examined. The ablation parameters and the surface modifications were analyzed under various irradiation conditions using laser wavelengths ranging from the ultraviolet through the visible. When processing the amorphous PLLA, both energy threshold and topography varied considerably depending on laser wavelength. Laser irradiation showed a reduction in the energy ablation threshold as the degree of crystallinity increased, probably related to photomechanical effects involved in laser ablation with ultra-short pulses and the lower stress accommodation behavior of semicrystalline polymers. In particular, cooperative chain motions are impeded by the higher degree of crystallinity, showing fragile mechanical behavior and lower energy dissipation. The experimental results on ablation rate versus laser energy showed that UV laser ablation on semicrystalline PLLA was more efficient than the visible ablation, i.e., it exhibits higher etch rates over a wide range of pulse energy conditions. These results were interpreted in terms of photo-thermal and photo-chemical response of polymers as a function of material micro-structure and incident laser wavelength. High quality micro-grooves were produced in amorphous PLLA, reveling the potential of ultra-fast laser processing technique in the field of micro-structuring biocompatible and biodegradable polymers for biomedical applications.

Picosecond laser ablation of poly-L-lactide: Effect of crystallinity on the material response

Energy Technology Data Exchange (ETDEWEB)

Ortiz, Rocio; Quintana, Iban; Etxarri, Jon [Manufacturing Processes Department, Fundacion TEKNIKER, Av. Otaola 20, 20600, Eibar, Guipuzcoa (Spain); Lejardi, Ainhoa; Sarasua, Jose-Ramon [Department of Mining and Metallurgy Engineering and Materials Science, School of Engineering, University of the Basque Country (EHU-UPV), Alameda de Urquijo s/n, 48013 Bilbao (Spain)

2011-11-01

The picosecond laser ablation of poly-L-lactide (PLLA) as a function of laser fluence and degree of crystallinity was examined. The ablation parameters and the surface modifications were analyzed under various irradiation conditions using laser wavelengths ranging from the ultraviolet through the visible. When processing the amorphous PLLA, both energy threshold and topography varied considerably depending on laser wavelength. Laser irradiation showed a reduction in the energy ablation threshold as the degree of crystallinity increased, probably related to photomechanical effects involved in laser ablation with ultra-short pulses and the lower stress accommodation behavior of semicrystalline polymers. In particular, cooperative chain motions are impeded by the higher degree of crystallinity, showing fragile mechanical behavior and lower energy dissipation. The experimental results on ablation rate versus laser energy showed that UV laser ablation on semicrystalline PLLA was more efficient than the visible ablation, i.e., it exhibits higher etch rates over a wide range of pulse energy conditions. These results were interpreted in terms of photo-thermal and photo-chemical response of polymers as a function of material micro-structure and incident laser wavelength. High quality micro-grooves were produced in amorphous PLLA, reveling the potential of ultra-fast laser processing technique in the field of micro-structuring biocompatible and biodegradable polymers for biomedical applications.

Side-chain liquid crystalline polyesters for optical information storage

DEFF Research Database (Denmark)

Ramanujam, P.S.; Holme, Christian; Hvilsted, Søren

1996-01-01

and holographic storage in one particular polyester are described in detail and polarized Fourier transform infrared spectroscopic data complementing the optical data are presented. Optical and atomic force microscope investigations point to a laser-induced aggregation as responsible for permanent optical storage.......Azobenzene side-chain liquid crystalline polyester structures suitable for permanent optical storage are described. The synthesis and characterization of the polyesters together with differential scanning calorimetry and X-ray investigations are discussed. Optical anisotropic investigations...

XRD and FTIR crystallinity indices in sound human tooth enamel and synthetic hydroxyapatite.

Science.gov (United States)

Reyes-Gasga, José; Martínez-Piñeiro, Esmeralda L; Rodríguez-Álvarez, Galois; Tiznado-Orozco, Gaby E; García-García, Ramiro; Brès, Etienne F

2013-12-01

The crystallinity index (CI) is a measure of the percentage of crystalline material in a given sample and it is also correlated to the degree of order within the crystals. In the literature two ways are reported to measure the CI: X-ray diffraction and infrared spectroscopy. Although the CI determined by these techniques has been adopted in the field of archeology as a structural order measure in the bone with the idea that it can help e.g. in the sequencing of the bones in chronological and/or stratigraphic order, some debate remains about the reliability of the CI values. To investigate similarities and differences between the two techniques, the CI of sound human tooth enamel and synthetic hydroxyapatite (HAP) was measured in this work by X-ray diffraction (XRD) and Fourier Transform Infrared spectroscopy (FTIR), at room temperature and after heat treatment. Although the (CI)XRD index is related to the crystal structure of the samples and the (CI)FTIR index is related to the vibration modes of the molecular bonds, both indices showed similar qualitative behavior for heat-treated samples. At room temperature, the (CI)XRD value indicated that enamel is more crystalline than synthetic HAP, while (CI)FTIR indicated the opposite. Scanning (SEM) and transmission (TEM) images were also used to corroborate the measured CI values. © 2013.

Structure determination by X-ray crystallography

CERN Document Server

Ladd, M F C

1995-01-01

X-ray crystallography provides us with the most accurate picture we can get of atomic and molecular structures in crystals. It provides a hard bedrock of structural results in chemistry and in mineralogy. In biology, where the structures are not fully crystalline, it can still provide valuable results and, indeed, the impact here has been revolutionary. It is still an immense field for young workers, and no doubt will provide yet more striking develop­ ments of a major character. It does, however, require a wide range of intellectual application, and a considerable ability in many fields. This book will provide much help. It is a very straightforward and thorough guide to every aspect of the subject. The authors are experienced both as research workers themselves and as teachers of standing, and this is shown in their clarity of exposition. There are plenty of iliustrations and worked examples to aid the student to obtain a real grasp of the subject.

Experimental evidence for self-assembly of CeO2 particles in solution: Formation of single-crystalline porous CeO2 nanocrystals

DEFF Research Database (Denmark)

Tan, Hui Ru; Tan, Joyce Pei Ying; Boothroyd, Chris

2012-01-01

Single-crystalline porous CeO2 nanocrystals, with sizes of ∼20 nm and pore diameters of 1-2 nm, were synthesized successfully using a hydrothermal method. Using electron tomography, we imaged the three-dimensional structure of the pores in the nanocrystals and found that the oriented aggregation ...... energy-loss spectroscopy. The oxygen vacancies might play an important role in oxygen diffusion in the crystals and the catalytic activities of single-crystalline porous CeO 2 structures. © 2011 American Chemical Society....

What Is Crystalline Silica?

Science.gov (United States)

... and ceramic manufacturing and the tool and die, steel and foundry industries. Crystalline silica is used in manufacturing, household abrasives, adhesives, paints, soaps, and glass. Additionally, ...

Irreversible altering of crystalline phase of phase-change Ge-Sb thin films

International Nuclear Information System (INIS)

Krusin-Elbaum, L.; Shakhvorostov, D.; Cabral, C. Jr.; Raoux, S.; Jordan-Sweet, J. L.

2010-01-01

The stability of the crystalline phase of binary phase-change Ge x Sb 1-x films is investigated over a wide range of Ge content. From Raman spectroscopy we find the Ge-Sb crystalline structure irreversibly altered after exposure to a laser beam. We show that with increasing beam intensity/temperature Ge agglomerates and precipitates out in the amount growing with x. A simple empirical relation links Ge precipitation temperature T Ge p to the rate of change dT cryst /dx of crystallization, with the precipitation easiest on the mid-range x plateau, where T cryst is nearly constant. Our findings point to a preferable 15% < or approx. x < 50% window, that may achieve the desired cycling/archival properties of a phase-change cell.

Fabrication of single-crystalline plasmonic nanostructures on transparent and flexible amorphous substrates

Science.gov (United States)

Mori, Tomohiro; Mori, Takeshi; Tanaka, Yasuhiro; Suzaki, Yoshifumi; Yamaguchi, Kenzo

2017-02-01

A new experimental technique is developed for producing a high-performance single-crystalline Ag nanostructure on transparent and flexible amorphous substrates for use in plasmonic sensors and circuit components. This technique is based on the epitaxial growth of Ag on a (001)-oriented single-crystalline NaCl substrate, which is subsequently dissolved in ultrapure water to allow the Ag film to be transferred onto a wide range of different substrates. Focused ion beam milling is then used to create an Ag nanoarray structure consisting of 200 cuboid nanoparticles with a side length of 160 nm and sharp, precise edges. This array exhibits a strong signal and a sharp peak in plasmonic properties and Raman intensity when compared with a polycrystalline Ag nanoarray.

In situ surface and interface study of crystalline (3×1)-O on InAs

Energy Technology Data Exchange (ETDEWEB)

Qin, Xiaoye, E-mail: xxq102020@utdallas.edu; Wallace, Robert M., E-mail: rmwallace@utdallas.edu [Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, Texas 75080 (United States); Wang, Wei-E.; Rodder, Mark S. [Advanced Logic Lab, Samsung Semiconductor, Inc., Austin, Texas 78754 (United States)

2016-07-25

The oxidation behavior of de-capped InAs (100) exposed to O{sub 2} gas at different temperatures is investigated in situ with high resolution of monochromatic x-ray photoelectron spectroscopy and low energy electron diffraction. The oxide chemical states and structure change dramatically with the substrate temperature. A (3 × 1) crystalline oxide layer on InAs is generated in a temperature range of 290–330 °C with a coexistence of In{sub 2}O and As{sub 2}O{sub 3}. The stability of the crystalline oxide upon the atomic layer deposition (ALD) of HfO{sub 2} is studied as well. It is found that the generated (3 × 1) crystalline oxide is stable upon ALD HfO{sub 2} growth at 100 °C.

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

STRUCTURAL INTERACTIONS OF HYDROGEN WITH BULK AMORPHOUS MICROSTRUCTURES IN METALLIC SYSTEMS UNDERSTANDING THE ROLE OF PARTIAL CRYSTALLINITY ON PERMEATION AND EMBRITTLEMENT

Energy Technology Data Exchange (ETDEWEB)

Brinkman, Kyle; Fox, Elise; Korinko, Paul; Adams, Thad

2010-05-10

The development of metallic glasses in bulk form has led to a resurgence of interest into the utilization of these materials for a variety of applications. A potentially exciting application for these bulk metallic glass (BMG) materials is their use as composite membranes to replace high cost Pd/Pd-alloy membranes for enhanced gas separation processes. One of the major drawbacks to the industrial use of Pd/Pd-alloy membranes is that during cycling above and below a critical temperature an irreversible change takes place in the palladium lattice structure which can result in significant damage to the membrane. Furthermore, the cost associated with Pd-based membranes is a potential detractor for their continued use and BMG alloys offer a potentially attractive alternative. Several BMG alloys have been shown to possess high permeation rates, comparable to those measured for pure Pd metal. In addition, high strength and toughness when either in-situ or ex-situ second phase dispersoids are present. Both of these properties, high permeation and high strength/toughness, potentially make these materials attractive for gas separation membranes that could resist hydrogen 'embrittlement'. However, a fundamental understanding of the relationship between partially crystalline 'structure'/devitrification and permeation/embrittlement in these BMG materials is required in order to determine the operating window for separation membranes and provide additional input to the material synthesis community for improved alloy design. This project aims to fill the knowledge gap regarding the impact of crystallization on the permeation properties of metallic glass materials. The objectives of this study are to (i) determine the crystallization behavior in different gas environments of Fe and Zr based commercially available bulk metallic glass and (ii) quantify the effects of partial crystallinity on the hydrogen permeation properties of these metallic glass membranes.

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.

Capital accumulation, structural change and real exchange rate in a Keynesian-Structuralist growth model

Directory of Open Access Journals (Sweden)

Oreiro José Luis

2015-01-01

Full Text Available The aim of this paper is to show at theoretical level that maintaining a competitive real exchange rate positively affects the economic growth of developing countries by means of a Keynesian-Structuralist model that combines elements of Kaleckian growth models with the balance of payments constrained growth models pioneered developed by Thirlwall. In this setting, the level of real exchange rate is capable, due to its effect over capital accumulation, to induce a structural change in the economy, making endogenous income elasticities of exports and imports. For reasonable parameter values it is shown that in steady-state growth there is two long-run equilibrium values for real exchange rate, one that corresponds to an under-valued currency and another that corresponds to an over-valued currency. If monetary authorities run exchange rate policy in order to target a competitive level for real exchange rate, than under-valued equilibrium is stable and the economy will show a high growth rate in the long-run.

Crystalline and amorphous rare-earth metallic compounds

International Nuclear Information System (INIS)

Burzo, E.

1975-01-01

During the last years the study of magnetic behaviour of rare-earth (or yttrium) compounds with cobalt and iron has growth of interest. This interest of justified by a large area of experimental and theoretical problems coming into being in the study of some rare-earth materials as well as in their technical applications. In the last three years a great number of new rare earth materials were studied and also new models explaining the magnetic behaviour of these systems have been used. In this paper we refer especially to some typical systems in order to analyse the magnetic behaviour of iron and cobalt and also the part played by the magnetic interactions in the values of the cobalt or iron moments. The model used will be generally the molecular field model. In the second chapter we present comparatively the structure of crystalline and amorphous compounds for further correlation with the magnetic properties. In chapter III we analyse the magnetic interactions in some crystalline and amorphous rare-earth alloys. Finally, we exemplify the ways in which we ensure better requried characteristics by the technical utilizations of these materials. These have in view the modifications of the magnetic interactions and are closely related with the analysis made in chapter III

United States Crystalline Repository Project - key research areas

International Nuclear Information System (INIS)

Patera, E.S.

1986-01-01

The Crystalline Repository Project is responsible for siting the second high-level nuclear waste repository in crystalline rock for the US Department of Energy. A methodology is being developed to define data and information needs and a way to evaluate that information. The areas of research the Crystalline Repository Project is involved in include fluid flow in a fractured network, coupled thermal, chemical and flow processes and cooperation in other nations and OECD research programs

The influence of polymerization rate on conductivity and crystallinity of electropolymerized polypyrrole

DEFF Research Database (Denmark)

Dyreklev, P.; Granström, M.; Inganäs, O.

1996-01-01

We report studies on electronic conductivity and crystallinity in electropolymerized polypyrrole. Different growth rates during electropolymerization strongly influence and determine structural and electronic properties. Polymer films grown using low current density show higher electronic conduct...... a different coupling route in the polymerization, induced by the lower current density. Copyright (C) 1996 Elsevier Science Ltd....

Equivalence between Born–Infeld tachyon and effective real scalar field theories for brane structures in warped geometry

International Nuclear Information System (INIS)

Bernardini, A.E.; Bertolami, O.

2013-01-01

An equivalence between Born–Infeld and effective real scalar field theories for brane structures is built in some specific warped space–time scenarios. Once the equations of motion for tachyon fields related to the Born–Infeld action are written as first-order equations, a simple analytical connection with a particular class of real scalar field superpotentials can be found. This equivalence leads to the conclusion that, for a certain class of superpotentials, both systems can support identical thick brane solutions as well as brane structures described through localized energy densities, T 00 (y), in the 5th dimension, y. Our results indicate that thick brane solutions realized by the Born–Infeld cosmology can be connected to real scalar field brane scenarios which can be used to effectively map the tachyon condensation mechanism

Irreducible tensor operators and crystalline potentials

International Nuclear Information System (INIS)

Boutron, F.; Saint-James, D.

1961-01-01

It is often accepted that the effects of its neighbourhood on the quantum state of an ion A may be obtained by the model of the crystalline effective field approximation. Within this assumption Stevens has developed a method which provides equivalent operators that facilitate the calculation of the matrix elements of the crystalline field in a given multiplicity. This method has been extended here. We demonstrate that in the expansion of the crystalline field in powers of the electrons coordinates of the ion A - for electrons of the same sub-shell of A - only even terms can contribute. Equivalent operators and matrix elements, in a given multiplicity, are given for these development terms - up to order 6 - and for potential invariant by the operations of one of the thirty-two point-groups. (author) [fr

Long-Lived Correlated Triplet Pairs in a π-Stacked Crystalline Pentacene Derivative.

Science.gov (United States)

Folie, Brendan D; Haber, Jonah B; Refaely-Abramson, Sivan; Neaton, Jeffrey B; Ginsberg, Naomi S

2018-02-14

Singlet fission is the spin-conserving process by which a singlet exciton splits into two triplet excitons. Singlet fission occurs via a correlated triplet pair intermediate, but direct evidence of this state has been scant, and in films of TIPS-pentacene, a small molecule organic semiconductor, even the rate of fission has been unclear. We use polarization-resolved transient absorption microscopy on individual crystalline domains of TIPS-pentacene to establish the fission rate and demonstrate that the initially created triplets remain bound for a surprisingly long time, hundreds of picoseconds, before separating. Furthermore, using a broadband probe, we show that it is possible to determine absorbance spectra of individual excited species in a crystalline solid. We find that triplet interactions perturb the absorbance, and provide evidence that triplet interaction and binding could be caused by the π-stacked geometry. Elucidating the relationship between the lattice structure and the electronic structure and dynamics has important implications for the creation of photovoltaic devices that aim to boost efficiency via singlet fission.

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.

Structural simulation of natural zeolites

International Nuclear Information System (INIS)

Sanchez P, E.; Carrera G, L.M.

1997-01-01

The application of X-ray diffraction (XRD) in the study of crystalline structures of the natural and modified zeolites allows the identification, lattice parameter determination and the crystallinity grade of the sample of interest. Until two decades ago, simulation methods of X-ray diffraction patterns were developed with which was possible to do reliable determinations of their crystalline structure. In this work it is presented the first stage of the crystalline structure simulation of zeolitic material from Etla, Oaxaca which has been studied for using it in the steam production industry and purification of industrial water. So that the natural material was modified for increasing its sodium contents and this material in its turn was put in contact with aqueous solutions of Na, Mg and Ca carbonates. All the simulations were done with the Lazy-Pulverix method. The considered phase was clinoptilolite. It was done the comparison with three clinoptilolite reported in the literature. (Author)

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.

The effect of cetyl palmitate crystallinity on physical properties of gamma-oryzanol encapsulated in solid lipid nanoparticles.

Science.gov (United States)

Ruktanonchai, Uracha; Limpakdee, Surachai; Meejoo, Siwaporn; Sakulkhu, Usawadee; Bunyapraphatsara, Nuntavan; Junyaprasert, Varaporn; Puttipipatkhachorn, Satit

2008-03-05

This present study was aimed at investigating the effect of the crystallinity of cetyl palmitate based solid lipid nanoparticles (SLNs) on the physical properties of γ-oryzanol-loaded SLNs. SLNs consisting of varying ratios of cetyl palmitate and γ-oryzanol were prepared. Their hydrodynamic diameters were in the range 210-280 nm and the zeta potentials were in the range -27 to -35 mV. The size of SLNs increased as the amount of cetyl palmitate decreased whereas no significant change of zeta potentials was found. Atomic force microscopy pictures indicated the presence of disc-like particles. The crystallinity of SLNs, determined by differential scanning calorimetry and powder x-ray diffraction, was directly dependent on the ratio of cetyl palmitate to γ-oryzanol and decreased with decreasing cetyl palmitate content in the lipid matrix. Varying this ratio in the lipid mix resulted in a shift in the melting temperature and enthalpy, although the SLN structure remained unchanged as an orthorhombic lamellar lattice. This has been attributed to a potential inhibition by γ-oryzanol during lipid crystal growth as well as a less ordered structure of the SLNs. The results revealed that the crystallinity of the SLNs was mainly dependent on the solid lipid, and that the crystallinity has an important impact on the physical characteristics of active-loaded SLNs.

The effect of cetyl palmitate crystallinity on physical properties of gamma-oryzanol encapsulated in solid lipid nanoparticles

International Nuclear Information System (INIS)

Ruktanonchai, Uracha; Sakulkhu, Usawadee; Limpakdee, Surachai; Meejoo, Siwaporn; Bunyapraphatsara, Nuntavan; Junyaprasert, Varaporn; Puttipipatkhachorn, Satit

2008-01-01

This present study was aimed at investigating the effect of the crystallinity of cetyl palmitate based solid lipid nanoparticles (SLNs) on the physical properties of γ-oryzanol-loaded SLNs. SLNs consisting of varying ratios of cetyl palmitate and γ-oryzanol were prepared. Their hydrodynamic diameters were in the range 210-280 nm and the zeta potentials were in the range -27 to -35 mV. The size of SLNs increased as the amount of cetyl palmitate decreased whereas no significant change of zeta potentials was found. Atomic force microscopy pictures indicated the presence of disc-like particles. The crystallinity of SLNs, determined by differential scanning calorimetry and powder x-ray diffraction, was directly dependent on the ratio of cetyl palmitate to γ-oryzanol and decreased with decreasing cetyl palmitate content in the lipid matrix. Varying this ratio in the lipid mix resulted in a shift in the melting temperature and enthalpy, although the SLN structure remained unchanged as an orthorhombic lamellar lattice. This has been attributed to a potential inhibition by γ-oryzanol during lipid crystal growth as well as a less ordered structure of the SLNs. The results revealed that the crystallinity of the SLNs was mainly dependent on the solid lipid, and that the crystallinity has an important impact on the physical characteristics of active-loaded SLNs

Molecular origins of anisotropic shock propagation in crystalline and amorphous polyethylene

Science.gov (United States)

O'Connor, Thomas C.; Elder, Robert M.; Sliozberg, Yelena R.; Sirk, Timothy W.; Andzelm, Jan W.; Robbins, Mark O.

2018-03-01

Molecular dynamics simulations are used to analyze shock propagation in amorphous and crystalline polyethylene. Results for the shock velocity Us are compared to predictions from Pastine's equation of state and hydrostatic theory. The results agree with Pastine at high impact velocities. At low velocities the yield stress becomes important, increasing the shock velocity and leading to anisotropy in the crystalline response. Detailed analysis of changes in atomic order reveals the origin of the anisotropic response. For shock along the polymer backbone, an elastic front is followed by a plastic front where chains buckle with a characteristic wavelength. Shock perpendicular to the chain backbone can produce plastic deformation or transitions to different orthorhombic or monoclinic structures, depending on the impact speed and direction. Tensile loading does not produce stable shocks: Amorphous systems craze and fracture while for crystals the front broadens linearly with time.

Structural and magnetic properties of Ni0.8M0.2Fe2O4 (M = Cu, Co) nano-crystalline ferrites

Science.gov (United States)

Vijaya Babu, K.; Satyanarayana, G.; Sailaja, B.; Santosh Kumar, G. V.; Jalaiah, K.; Ravi, M.

2018-06-01

Nano-crystalline nickel ferrites are interesting materials due to their large physical and magnetic properties. In the present work, two kinds of spinel ferrites Ni0.8M0.2Fe2O4 (M = Cu, Co) are synthesized by using sol-gel auto-combustion method and the results are compared with NiFe2O4. The structural properties of synthesized ferrites are determined by using X-ray powder diffraction; scanning electron microscope and Fourier transform infrared spectroscopy. The cation distribution obtained from X-ray diffraction show that cobalt/copper occupies only tetrahedral site in spinel lattice. The lattice constant increases with the substitution of cobalt/copper. The structural parameters like bond lengths, tetrahedral and octahedral edges have been varied with the substitution. The microstructural study is carried out by using SEM technique and the average grain size is increased with nickel ferrite. The initial permeability (μi) is improving with the substitution. The observed g-value from ESR is approximately equal to standard value.

Enhancing upconversion emission of Er, Yb co-doped highly transparent YF3 films by synergistic tuning nano-textured morphology and crystallinity

International Nuclear Information System (INIS)

Qu, Ming-Hao; Wang, Ru-Zhi; Chen, Yan; Zhang, Ying; Li, Kai-Yu; Zhou, Hua; Yan, Hui

2014-01-01

Highly transparent Er, Yb codoped YF 3 upconversion films were successfully prepared by electron beam deposition method. The effects of the substrate temperature on the morphology, crystallinity and emission characteristics of Er, Yb codoped YF 3 films were studied carefully. It was found that the morphology and crystallinity varied from smooth amorphous to root-intertwined polycrystalline structure with the substrate temperature increase. Besides, the emission characteristics of the films can be modulated by the synergy of their surface morphologies and crystallinities. Remarkably, a large enhancement of the upconversion emission, up to five decades while only an insignificant decrease of the optical transmittance (10% at most), was achieved by forming root-intertwined polycrystalline structures. These highly transparent upconversion films may have good potential for enhancing the conversion efficiency of wide band-gap solar cells. -- Highlights: • Er, Yb co-dopedYF 3 upconversion films have been successfully prepared. • The upconversion property can be modulated by morphology and crystallinity. • The upconversion transparent YF 3 films are promising for solar cells applications

Nanodefects in ultrahard crystalline cubic boron nitride

International Nuclear Information System (INIS)

Nistor, S. V.; Stefan, M.; Goovaerts, E.; Schoemaker, D.

2002-01-01

deconvolution of the observed spectra resulted in the identification of two component lines, called A1 and A2 (from amber), with distinct spectral properties. The linewidth of both narrow A1 line and broader A2 line strongly decreases with the temperature decrease from RT down to 50 K. Moreover, in this temperature range the lineshape changes from Lorentzian to Gaussian. At lower temperatures the linewidth of both component lines remains almost constant and Gaussian in shape. The EPR spectrum of amber colored cBN crystalline powders measured in the X-band at RT (a) and low temperature (b) as well the two component lines resulting from the numerical deconvolution of the spectrum. The distinct linewidth temperature induced lineshape and microwave power saturation variation behavior of the two component lines strongly suggests the existence in the amber colored cBN crystals of two distinct paramagnetic point defects (nanodefects), which are responsible for the two components, called A1 and A2. The lineshape temperature dependence can be explained by the dominant contribution at low temperatures of an unresolved hyperfine structure with the nonzero nuclear moments ( 14 N, 10 B and 11 B) of the lattice atoms. High frequency (95 GHz) EPR measurements on amber colored cBN single crystals, which are now in progress, may result in the observation of resolved hyperfine structures, essential in determining the atomic structure of the two nanodefects in correlation with theoretical studies concerning the stability and electron configuration of the native defects in cBN. (authors)

Crystalline morphology of the matrix of PEEK-carbon fiber aromatic polymer composites. I. Assessment of crystallinity

International Nuclear Information System (INIS)

Blundell, D.J.; Chalmers, J.M.; Mackenzie, M.W.; Gaskin, W.F.

1985-01-01

The crystallinity of the polyetheretherketone (PEEK) matrix polymer in the Aromatic Polymer Composite APC-2 has been estimated using a combination of techniques based on wide angle x-ray diffraction and infrared reflection spectroscopy. Crystallinity varies systematically with cooling rate and annealing time over the range 20 to 40%. The occurrence of oriented crystal growth of the PEEK relative to the carbon fiber can be monitored by x-ray diffraction. 8 references, 10 figures, 1 table

Irradiation sterilization of semi-crystalline polymers

International Nuclear Information System (INIS)

Williams, J.; Dunn, T.; Stannett, V.

1978-01-01

A semi-crystalline polymer such as polypropylene, is sterilized by high energy irradiation, with the polymer containing a non-crystalline mobilizing additive which increases the free volume of the polymer, to prevent embrittlement of the polymer during and subsequent to the irradiation. The additive has a density of from 0.6 to 1.9 g/cm 3 and a molecular weight from 100 to 10,000 g/mole

A crystalline cluster method for deep impurities in insulators

International Nuclear Information System (INIS)

Guimaraes, P.S.

1983-01-01

An ''ab initio'' self-consistent-field crysttalline-cluster approach to the study of deep impurity states in insulators is proposed. It is shown that, in spite of being a cluster calculation, the interaction of the impurity with the crystal environment is fully taken into account. It is also shown that the present representation of the impurity states is, at least, as precise as the crystalline cluster representation of the pure crystal electronic structure. The procedure has been tested by performing the calculation of the electronic structure of the U center in a sodium chloride crystal, and it has been observed that the calculated γ 1 - γ 15 absorption energy is in good agreement with experiment. (author) [pt

Crystalline instability of Bi-2212 superconducting whiskers near room temperature

International Nuclear Information System (INIS)

Cagliero, Stefano; Khan, Mohammad Mizanur Rahman; Agostino, Angelo; Truccato, Marco; Orsini, Francesco; Marinone, Massimo; Poletti, Giulio; Lascialfari, Alessandro

2009-01-01

We report new evidences for the thermodynamic instability of whisker crystals in the Bi-Sr-Ca-Cu-O (BSCCO) system. Annealing treatments at 90 C have been performed on two sets of samples, which were monitored by means of X-rays diffraction (XRD) and atomic force microscopy (AFM) measurements, respectively. Two main crystalline domains of Bi 2 Sr 2 CuCa 2 O 8+x (Bi-2212) were identified in the samples by the XRD data, which underwent an evident crystalline segregation after about 60 hours. Very fast dynamics of the surface modifications was also described by the AFM monitoring. Two typologies of surface structures formed after about 3 annealing hours: continuous arrays of dome shaped bodies were observed along the edges of the whiskers, while in the central regions a dense texture of flat bodies was found. These modifications are described in terms of the formation of simple oxide clusters involving a degradation of the internal layers. (orig.)

Crystalline instability of Bi-2212 superconducting whiskers near room temperature

Energy Technology Data Exchange (ETDEWEB)

Cagliero, Stefano; Khan, Mohammad Mizanur Rahman [Torino Universita, ' NIS' Centre of Excellence, Dip. Chimica Generale e Chimica Organica, and CNISM UdR, Turin (Italy); Torino Universita, ' NIS' Centre of Excellence, Dip. Fisica Sperimentale, and CNISM UdR, Turin (Italy); Agostino, Angelo [Torino Universita, ' NIS' Centre of Excellence, Dip. Chimica Generale e Chimica Organica, and CNISM UdR, Turin (Italy); Truccato, Marco [Torino Universita, ' NIS' Centre of Excellence, Dip. Fisica Sperimentale, and CNISM UdR, Turin (Italy); Orsini, Francesco; Marinone, Massimo; Poletti, Giulio [Universita degli Studi di Milano, Istituto di Fisiologia Generale e Chimica Biologica, Milan (Italy); CNR-INFM-S3 NRC, Modena (Italy); Lascialfari, Alessandro [Universita degli Studi di Milano, Istituto di Fisiologia Generale e Chimica Biologica, Milan (Italy); CNR-INFM-S3 NRC, Modena (Italy); Universita degli Studi di Pavia, INFM-CNR c/o Dipartimento di Fisica A. Volta, Pavia (Italy)

2009-05-15

We report new evidences for the thermodynamic instability of whisker crystals in the Bi-Sr-Ca-Cu-O (BSCCO) system. Annealing treatments at 90 C have been performed on two sets of samples, which were monitored by means of X-rays diffraction (XRD) and atomic force microscopy (AFM) measurements, respectively. Two main crystalline domains of Bi{sub 2}Sr{sub 2}CuCa{sub 2}O{sub 8+x} (Bi-2212) were identified in the samples by the XRD data, which underwent an evident crystalline segregation after about 60 hours. Very fast dynamics of the surface modifications was also described by the AFM monitoring. Two typologies of surface structures formed after about 3 annealing hours: continuous arrays of dome shaped bodies were observed along the edges of the whiskers, while in the central regions a dense texture of flat bodies was found. These modifications are described in terms of the formation of simple oxide clusters involving a degradation of the internal layers. (orig.)

Electronic structure of clean and Ag-covered single-crystalline Bi2Sr2CuO6

International Nuclear Information System (INIS)

Lindberg, P.A.P.; Shen, Z.; Wells, B.O.; Mitzi, D.B.; Lindau, I.; Spicer, W.E.; Kapitulnik, A.

1989-01-01

Photoemission studies of single-crystalline samples of Bi 2 Sr 2 CuO 6 show clear resemblance to the corresponding data for single crystals of Bi 2 Sr 2 CaCu 2 O 8 . In particular, a sharp Fermi-level cutoff, giving evidence of metallic conductivity at room temperature, as well as single-component O 1s emission and Cu 2p satellites with a strength amounting to about 50% of that of the main Cu 2p line, are observed. An analysis of the relative core-level photoemission intensities shows that the preferential cleavage plane of single-crystalline Bi 2 Sr 2 CuO 6 is between adjacent Bi-O layers. Deposition of Ag adatoms causes only weak reaction with the Bi and O ions of the Bi 2 Sr 2 CuO 6 substrate, while the Cu states rapidly react with the Ag adatoms, as monitored by a continuous reduction of the Cu 2p satellite intensity as the Ag overlayer becomes thicker

Radiocarbon Dating of the Human Eye Lens Crystallines Reveal Proteins without Carbon Turnover throughout Life

Science.gov (United States)

Lynnerup, Niels; Kjeldsen, Henrik; Heegaard, Steffen; Jacobsen, Christina; Heinemeier, Jan

2008-01-01

Background Lens crystallines are special proteins in the eye lens. Because the epithelial basement membrane (lens capsule) completely encloses the lens, desquamation of aging cells is impossible, and due to the complete absence of blood vessels or transport of metabolites in this area, there is no subsequent remodelling of these fibers, nor removal of degraded lens fibers. Human tissue ultimately derives its 14C content from the atmospheric carbon dioxide. The 14C content of the lens proteins thus reflects the atmospheric content of 14C when the lens crystallines were formed. Precise radiocarbon dating is made possible by comparing the 14C content of the lens crystallines to the so-called bomb pulse, i.e. a plot of the atmospheric 14C content since the Second World War, when there was a significant increase due to nuclear-bomb testing. Since the change in concentration is significant even on a yearly basis this allows very accurate dating. Methodology/Principal Findings Our results allow us to conclude that the crystalline formation in the lens nucleus almost entirely takes place around the time of birth, with a very small, and decreasing, continuous formation throughout life. The close relationship may be further expressed as a mathematical model, which takes into account the timing of the crystalline formation. Conclusions/Significance Such a life-long permanence of human tissue has hitherto only been described for dental enamel. In confront to dental enamel it must be held in mind that the eye lens is a soft structure, subjected to almost continuous deformation, due to lens accommodation, yet its most important constituent, the lens crystalline, is never subject to turnover or remodelling once formed. The determination of the 14C content of various tissues may be used to assess turnover rates and degree of substitution (for example for brain cell DNA). Potential targets may be nervous tissues in terms of senile or pre-senile degradation, as well as other highly

Radiocarbon dating of the human eye lens crystallines reveal proteins without carbon turnover throughout life.

Directory of Open Access Journals (Sweden)

Niels Lynnerup

Full Text Available BACKGROUND: Lens crystallines are special proteins in the eye lens. Because the epithelial basement membrane (lens capsule completely encloses the lens, desquamation of aging cells is impossible, and due to the complete absence of blood vessels or transport of metabolites in this area, there is no subsequent remodelling of these fibers, nor removal of degraded lens fibers. Human tissue ultimately derives its (14C content from the atmospheric carbon dioxide. The (14C content of the lens proteins thus reflects the atmospheric content of (14C when the lens crystallines were formed. Precise radiocarbon dating is made possible by comparing the (14C content of the lens crystallines to the so-called bomb pulse, i.e. a plot of the atmospheric (14C content since the Second World War, when there was a significant increase due to nuclear-bomb testing. Since the change in concentration is significant even on a yearly basis this allows very accurate dating. METHODOLOGY/PRINCIPAL FINDINGS: Our results allow us to conclude that the crystalline formation in the lens nucleus almost entirely takes place around the time of birth, with a very small, and decreasing, continuous formation throughout life. The close relationship may be further expressed as a mathematical model, which takes into account the timing of the crystalline formation. CONCLUSIONS/SIGNIFICANCE: Such a life-long permanence of human tissue has hitherto only been described for dental enamel. In confront to dental enamel it must be held in mind that the eye lens is a soft structure, subjected to almost continuous deformation, due to lens accommodation, yet its most important constituent, the lens crystalline, is never subject to turnover or remodelling once formed. The determination of the (14C content of various tissues may be used to assess turnover rates and degree of substitution (for example for brain cell DNA. Potential targets may be nervous tissues in terms of senile or pre

Magnetization, Magnetocrystalline Anisotropy and the Crystalline Electric Field in Rare-Earth Al2 Compounds

DEFF Research Database (Denmark)

Purwins, H. -G.; Walker, E.; Barbara, B.

1974-01-01

a quantitative quantum mechanical description of the magnetization and the related magnetocrystalline anisotropy in terms of a cubic crystalline electric field and an isotropic exchange interaction. The parameters used in this description can be unified to good approximation to all REAl2 intermetallic compounds......Magnetization measurements are reported for single crystals of PrAl2 in the range from 4.2K to 30K for magnetic fields up to 150 kOe applied in the (100), (110) and (111) directions. For these measurements, together with the magnetization results obtained earlier for TbAl2 the authors give...

Glassy and Metastable Crystalline BaTi2O5 by Containerless Processing

Science.gov (United States)

Yoda, Shinichi; Kentei Yu, Yu; Kumar, Vijaya; Kameko, Masashi

Many efforts have been devoted to forming bulk glass from the melt of ferroelectric crystalline materials without adding any network-forming oxides such as SiO2 due to the potential for producing transparent glass ceramics with high dielectric constant and enhanced piezoelectric, pyroelectric and electro-optic use. The containerless processing is an attractive synthesis tech-nique as it can prevent melt contamination, minimize heterogeneous nucleation, and allow melt to achieve deep undercooling for forming metastable and glassy materials. We have fabricated a new ferroelectric materiel BaTi2 O5 [1] as bulk glass from melt by us-ing containerless processing and studied the phase relationship between microstructure and ferroelectric properties of BaTi2 O5 [2]. The structures of glassy and metastable crystalline BaTi2 O5 fabricated by the containerless pro-cessing were comprehensively investigated by combined X-ray and neutron diffractions, XANES analyses and computer simulations [3]. The 3-dimensional atomic structure of glassy BaTi2 O5 (g-BaTi2 O5 ), simulated by Reverse Monte Carlo (RMC) modelling on diffraction data, shows that extremely distorted TiO5 polyhedra interconnected with both corner-and edge-shared oxy-gen, formed a higher packing density structure than that of conventional silicate glass linked with only corner-sharing of SiO4 polyhedra. In addition, XANES measurement reveales that five-coordinated TiO5 polyhedra were formable in the crystallized metastable a-and b-BaTi2 O5 phases. The structure of metastable b-BaTi2 O5 was solved by ab initio calculation, and refined by Rietveld refinement as group Pnma with unit lattices a = 10.23784 ˚, b = 3.92715 ˚, c A A = 10.92757 A ˚. Our results show that the glass-forming ability enhanced by containerless pro-cessing, not by `strong glass former', fabricated new bulk oxide glasses with peculiar structures and properties. The intermediate-range structure of g-BaTi2 O5 and the crystalline structure of

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.

Momentum-dependent excitation processes in crystalline and amorphous films of conjugated oligomers

International Nuclear Information System (INIS)

Zojer, E.; Knupfer, M.; Shuai, Z.; Fink, J.; Bredas, J.L.; Hoerhold, H.-H.; Grimme, J.; Scherf, U.; Benincori, T.; Leising, G.

2000-01-01

The electronic structure of periodic materials is usually described on the basis of band-structure models, in which each state is not only characterized by its energy but also by the corresponding electron momentum. In this paper we present investigations of momentum-dependent excitation processes in a number of molecular crystals and amorphous thin films. For our studies we have chosen ladder-type quinquephenyl (5LP), distyrylbenzene (3PV), a substituted quinquephenylenevinylene (5PV), and a bridged quarterthienyl (4TB). These substances are representative for several classes of conjugated organic materials. Their physical properties are dominated by the molecular building blocks. The investigated films, however, also allow us to study differences in the characteristics of crystalline (3PV and 4TB), partly amorphous (5LP) and fully amorphous (5PV) systems. Momentum-dependent excitations are induced by inelastic electron scattering in electron-energy-loss spectroscopy (EELS) experiments. The experimental data are compared to molecule based post-Hartree-Fock quantum-chemical simulations performed with the intermediate neglect of differential overlap (INDO) approach coupled to a configuration interaction (CI) technique applying the proper momentum-dependent transition matrix elements. Our results show that even in relatively small systems the molecular electronic states can be characterized by an associated range in momentum space. In addition, differences between inelastic electron scattering spectra for low values of momentum transfer and the optical data obtained for the crystalline samples underline the strong impact of light propagation on the absorption characteristics of highly anisotropic crystalline materials

[RehaFuturReal®: Evaluation of Implementation in Organizational Structure and in Counseling Process - An Overview of Results].

Science.gov (United States)

Arling, V; Knispel, J; Spijkers, W

2016-08-01

Due to prevailing future challenges in vocational rehabilitation, development process RehaFutur (BMAS) was initiated. In this context, recommendations were made to secure a future-oriented, innovative vocational rehabilitation in Germany. Deutsche Rentenversicherung (DRV) Westfalen transferred these recommendations into a new and applicable counseling concept RehaFutuReal(®). Rehabilitation managers (RM) are central protagonists in counseling process. Therefore, RehaFuturReal(®) focused on optimization of counseling performance. To achieve this aim, rehabilitation managers were taught to work with a case management (CM) based approach. RWTH Aachen supported RehaFuturReal(®) from an academic point of view and conducted a formative and summative evaluation. Primary aim of RWTH Aachen was to support DRV Westfalen during implementation of RehaFuturReal(®) into their organizational structure. Additionally, RWTH Aachen controlled whether transfer of RehaFutuReal(®) in counseling process was successful. From 04-01-13 until 12-31-14, RehaFuturReal(®) was tested by DRV Westfalen in the intervention district Dortmund with 10 RM. There were 3 selection criteria for the overall sample of N=320 insurants: participants were required to have an active employment status, suffered from integration issues and were in need of support to achieve vocational integration. Evaluation of RehaFuturReal(®) was realized summative (pre-post-comparison) and formative (process-orientated). Evaluative judgment regarding implementation in organizational structure and counseling process was performed by using three-stage-concept of Donabedian (quality of structure, process and results). Thereby, feedback of RM, insurants and employers was taken into account. Analysis of evaluation results revealed a positive overall impression. Implementation into organizational structure was successful on all 3 quality stages: concept of project and CM-training were an adequate basis and appropriately put

Enhancement of crystallinity of cellulose produced by Escherichia coli through heterologous expression of bcsD gene from Gluconacetobacter xylinus.

Science.gov (United States)

Sajadi, Elaheh; Babaipour, Valiollah; Deldar, Ali Asghar; Yakhchali, Bagher; Fatemi, Seyed Safa-Ali

2017-09-01

To evaluate the crystallinity index of the cellulose produced by Escherichia coli Nissle 1917 after heterologous expression of the cellulose synthase subunit D (bcsD) gene of Gluconacetobacter xylinus BPR2001. The bcsD gene of G. xylinus BPR2001 was expressed in E. coli and its protein product was visualized using SDS-PAGE. FTIR analysis showed that the crystallinity index of the cellulose produced by the recombinants was 0.84, which is 17% more than that of the wild type strain. The increased crystallinity index was also confirmed by X-ray diffraction analysis. The cellulose content was not changed significantly after over-expressing the bcsD. The bcsD gene can improve the crystalline structure of the bacterial cellulose but there is not any significant difference between the amounts of cellulose produced by the recombinant and wild type E. coli Nissle 1917.

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

Harvesting solar light with crystalline carbon nitrides for efficient photocatalytic hydrogen evolution

KAUST Repository

Bhunia, Manas Kumar

2014-08-14

Described herein is the photocatalytic hydrogen evolution using crystalline carbon nitrides (CNs) obtained by supramolecular aggregation followed by ionic melt polycondensation (IMP) using melamine and 2,4,6-triaminopyrimidine as a dopant. The solid state NMR spectrum of 15N-enriched CN confirms the triazine as a building unit. Controlling the amount and arrangements of dopants in the CN structure can dramatically enhance the photocatalytic performance for H2 evolution. The polytriazine imide (PTI) exhibits the apparent quantum efficiency (AQE) of 15% at 400 nm. This method successfully enables a substantial amount of visible light to be harvested for H2 evolution, and provides a promising route for the rational design of a variety of highly active crystalline CN photocatalysts. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Crystallinity of the epitaxial heterojunction of C60 on single crystal pentacene

Science.gov (United States)

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

2017-06-01

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

High rate flame synthesis of highly crystalline iron oxide nanorods

International Nuclear Information System (INIS)

Merchan-Merchan, W; Taylor, A M; Saveliev, A V

2008-01-01

Single-step flame synthesis of iron oxide nanorods is performed using iron probes inserted into an opposed-flow methane oxy-flame. The high temperature reacting environment of the flame tends to convert elemental iron into a high density layer of iron oxide nanorods. The diameters of the iron oxide nanorods vary from 10 to 100 nm with a typical length of a few microns. The structural characterization performed shows that nanorods possess a highly ordered crystalline structure with parameters corresponding to cubic magnetite (Fe 3 O 4 ) with the [100] direction oriented along the nanorod axis. Structural variations of straight nanorods such as bends, and T-branched and Y-branched shapes are frequently observed within the nanomaterials formed, opening pathways for synthesis of multidimensional, interconnected networks

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.

Autophagy and UPR in alpha-crystallin mutant knock-in mouse models of hereditary cataracts.

Science.gov (United States)

Andley, Usha P; Goldman, Joshua W

2016-01-01

Knock-in mice provide useful models of congenital and age-related cataracts caused by α-crystallin mutations. R49C αA-crystallin and R120G αB-crystallin mutations are linked with hereditary cataracts. Knock-in αA-R49C+/- heterozygotes develop cataracts by 1-2months, whereas homozygote mice have cataracts at birth. The R49C mutation drastically reduces lens protein water solubility and causes cell death in knock-in mouse lenses. Mutant crystallin cannot function as a chaperone, which leads to protein aggregation and lens opacity. Protein aggregation disrupts the lens fiber cell structure and normal development and causes cell death in epithelial and fiber cells. We determined what aspects of the wild-type phenotype are age-dependently altered in the mutant lens. Wild-type, heterozygote (αA-R49C+/-), and homozygote (αA-R49C+/+) mouse lenses were assessed pre- and postnatally for lens morphology (electron microscopy, immunohistochemistry), and autophagy or unfolded protein response markers (immunoblotting). Morphology was altered by embryonic day 17 in R49C+/+ lenses; R49C+/- lens morphology was unaffected at this stage. Active autophagy in the lens epithelium of mutant lenses was indicated by the presence of autophagosomes using electron microscopy. Protein p62 levels, which are degraded specifically by autophagy, increased in αA-R49C mutant versus wild-type lenses, suggesting autophagy inhibition in the mutant lenses. The unfolded protein response marker XBP-1 was upregulated in adult lenses of αB-R120G+/+ mice, suggesting its role in lens opacification. Mutated crystallins alter lens morphology, autophagy, and stress responses. Therapeutic modulation of autophagic pathways may improve protein degradation in cataractous lenses and reduce lens opacity. This article is part of a Special Issue entitled Crystallin Biochemistry in Health and Disease. Copyright © 2015 Elsevier B.V. All rights reserved.

Studies on the Synthesis,Characterization and Properties of the Reactive Thermotropic Liquid Crystalline Polymer

Institute of Scientific and Technical Information of China (English)

无

2007-01-01

1 Introduction Four species of reactive thermotropic liquid crystalline polymer (LCMC) with different relative molecular weight were synthesized in this work (see scheme 1, n=2, 6, 10, ∞.n means number of repeat structure unit). Their structure, morphology and properties were investigated systemically by differential scanning calorimetry (DSC), Thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FTIR), Wide-angle X-ray diffraction (WAXD), polarizing opticalmicroscopy (POM) and ubb...

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

Multi-crystalline II-VI based multijunction solar cells and modules

Science.gov (United States)

Hardin, Brian E.; Connor, Stephen T.; Groves, James R.; Peters, Craig H.

2015-06-30

Multi-crystalline group II-VI solar cells and methods for fabrication of same are disclosed herein. A multi-crystalline group II-VI solar cell includes a first photovoltaic sub-cell comprising silicon, a tunnel junction, and a multi-crystalline second photovoltaic sub-cell. A plurality of the multi-crystalline group II-VI solar cells can be interconnected to form low cost, high throughput flat panel, low light concentration, and/or medium light concentration photovoltaic modules or devices.

Methods and uncertainty estimations of 3-D structural modelling in crystalline rocks: a case study

Science.gov (United States)

Schneeberger, Raphael; de La Varga, Miguel; Egli, Daniel; Berger, Alfons; Kober, Florian; Wellmann, Florian; Herwegh, Marco

2017-09-01

Exhumed basement rocks are often dissected by faults, the latter controlling physical parameters such as rock strength, porosity, or permeability. Knowledge on the three-dimensional (3-D) geometry of the fault pattern and its continuation with depth is therefore of paramount importance for applied geology projects (e.g. tunnelling, nuclear waste disposal) in crystalline bedrock. The central Aar massif (Central Switzerland) serves as a study area where we investigate the 3-D geometry of the Alpine fault pattern by means of both surface (fieldwork and remote sensing) and underground ground (mapping of the Grimsel Test Site) information. The fault zone pattern consists of planar steep major faults (kilometre scale) interconnected with secondary relay faults (hectometre scale). Starting with surface data, we present a workflow for structural 3-D modelling of the primary faults based on a comparison of three extrapolation approaches based on (a) field data, (b) Delaunay triangulation, and (c) a best-fitting moment of inertia analysis. The quality of these surface-data-based 3-D models is then tested with respect to the fit of the predictions with the underground appearance of faults. All three extrapolation approaches result in a close fit ( > 10 %) when compared with underground rock laboratory mapping. Subsequently, we performed a statistical interpolation based on Bayesian inference in order to validate and further constrain the uncertainty of the extrapolation approaches. This comparison indicates that fieldwork at the surface is key for accurately constraining the geometry of the fault pattern and enabling a proper extrapolation of major faults towards depth. Considerable uncertainties, however, persist with respect to smaller-sized secondary structures because of their limited spatial extensions and unknown reoccurrence intervals.

Thermal expansion behavior of fluor-chlorapatite crystalline solutions

Science.gov (United States)

Hovis, G.; Harlov, D.; Gottschalk, M.; Hudacek, W.; Wildermuth, S.

2009-04-01

the fluor-chlorapatite series is little affected by composition. This contrasts with relationships in alkali feldspars (Hovis and coworkers, 1997, 1999), which show that K-rich feldspars expand less than Na-rich feldspars. It contrasts also with the behavior of additional AlSi3 feldspars (Hovis and others, 2008), in which room-temperature chemical expansion limits the degree to which the structure can expand thermally. It also differs from expansion in kalsilite crystalline solutions (Hovis and coworkers, 2003, 2006), which depends on K:Na ratio. Among the minerals we have studied previously, only nepheline displays expansion behavior similar to that of fluor-chlorapatite crystalline solutions in that thermal expansion shows little sensitivity to composition. In AlSi3 feldspars and kalsilite one observes a single crystallographically distinct alkali site and a dominating SiO4 tetrahedral framework that limits the vibrational characteristics of the alkali-site occupant(s). Fluor-chlorapatite crystalline solutions have no such structural framework. Moreover, the anion site in the latter changes structural character in the transition from fluorapatite to chlorapatite. This flexibility apparently allows anion vibrational characteristics, coupled with those of Ca polyhedral components, to change continuously and in a compensating manner across the series. The thermal expansion data also imply that volumes of F-Cl mixing in fluor-chlorapatite are constant from room temperature to 1000 °C. References: Cherniak, D.J. (2000) Rare earth element diffusion in apatite. Geochimica et Cosmochimica Acta 64, 3871-3885. Harlov, D.E. and Förster, H-J. (2002) High grade fluid metasomatism on both a local and regional Scale: the Seward Peninsula, Alaska and the Ivrea-Verbano Zone, Northern Italy Part II: phosphate mineral chemistry. Journal of Petrology 43, 801-824. Holland, T.J.B. and Redfern, S.A.T. (1997) Unit-cell refinement: Changing the dependent variable, and use of regression

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.

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.

Implicit Real Vector Automata

Directory of Open Access Journals (Sweden)

Jean-François Degbomont

2010-10-01

Full Text Available This paper addresses the symbolic representation of non-convex real polyhedra, i.e., sets of real vectors satisfying arbitrary Boolean combinations of linear constraints. We develop an original data structure for representing such sets, based on an implicit and concise encoding of a known structure, the Real Vector Automaton. The resulting formalism provides a canonical representation of polyhedra, is closed under Boolean operators, and admits an efficient decision procedure for testing the membership of a vector.

Systematic dynamic viscoelasticity measurements for chitin nanofibers prepared with various concentrations, disintegration times, acidities, and crystalline structures.

Science.gov (United States)

Suenaga, Shin; Osada, Mitsumasa

2018-04-17

Dynamic viscoelasticities were measured for chitin nanofiber (ChNF) dispersions prepared with various concentrations, disintegration times, acidities, and crystalline structures. The 0.05 w/v% dispersions of pH neutral ChNFs continuously exhibited elastic behavior. The 0.05 w/v% dispersions of acidified ChNFs, on the other hand, transitioned from a colloidal dispersion to a critical gel and then exhibited elastic behavior with increasing ChNF concentration. A double-logarithmic chart of the concentration vs. the storage modulus was prepared and indicated the fractal dimension and the nanostructure in the dispersion. The results determined that the neutral α- and β-ChNFs were dispersed but showed some remaining aggregations and that the acidified β-ChNFs were completely individualized. In addition, the α-chitin steadily disintegrated with increasing disintegration time, and the aspect ratio of the β-chitin decreased as a result of the exscessive disintegration. The storage moduli of the ChNFs were greater than those of chitin solutions, nanorods, and nanowhiskers with the same solids concentrations. Copyright © 2018 Elsevier B.V. All rights reserved.

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.

[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.

Quantitative x-ray structure determination of superlattices and interfaces

International Nuclear Information System (INIS)

Schuller, I.K.; Fullerton, E.E.

1990-01-01

This paper presents a general procedure for quantitative structural refinement of superlattice structures. To analyze a wide range of superlattices, the authors have derived a general kinematical diffraction formula that includes random, continuous and discrete fluctuations from the average structure. By implementing a non-linear fitting algorithm to fit the entire x-ray diffraction profile, refined parameters that describe the average superlattice structure, and deviations from this average are obtained. The structural refinement procedure is applied to a crystalline/crystalline Mo/Ni superlattices and crystalline/amorphous Pb/Ge superlattices. Roughness introduced artificially during growth in Mo/Ni superlattices is shown to be accurately reproduced by the refinement

Crystallinity and flux pinning properties of MgB2 bulks

International Nuclear Information System (INIS)

Yamamoto, A.; Shimoyama, J.; Ueda, S.; Katsura, Y.; Iwayama, I.; Horii, S.; Kishio, K.

2006-01-01

The relationship between flux pinning properties and crystallinity of MgB 2 bulks was systematically studied. Improved flux pinning properties under high fields were observed for samples with low crystallinity. Increased impurity scattering due to strain and defects in lattice corresponding to the degraded crystallinity was considered to enhance flux pinning strength at grain boundaries. Low-temperature synthesis and carbon substitution were confirmed to be effective for degrading crystallinity of MgB 2 bulks, resulting in high critical current properties under high fields

Evaluation of environmental scanning electron microscopy for analysis of Proteus mirabilis crystalline biofilms in situ on urinary catheters.

Science.gov (United States)

Holling, Nina; Dedi, Cinzia; Jones, Caroline E; Hawthorne, Joseph A; Hanlon, Geoffrey W; Salvage, Jonathan P; Patel, Bhavik A; Barnes, Lara M; Jones, Brian V

2014-06-01

Proteus mirabilis is a common cause of catheter-associated urinary tract infections and frequently leads to blockage of catheters due to crystalline biofilm formation. Scanning electron microscopy (SEM) has proven to be a valuable tool in the study of these unusual biofilms, but entails laborious sample preparation that can introduce artefacts, undermining the investigation of biofilm development. In contrast, environmental scanning electron microscopy (ESEM) permits imaging of unprocessed, fully hydrated samples, which may provide much insight into the development of P. mirabilis biofilms. Here, we evaluate the utility of ESEM for the study of P. mirabilis crystalline biofilms in situ, on urinary catheters. In doing so, we compare this to commonly used conventional SEM approaches for sample preparation and imaging. Overall, ESEM provided excellent resolution of biofilms formed on urinary catheters and revealed structures not observed in standard SEM imaging or previously described in other studies of these biofilms. In addition, we show that energy-dispersive X-ray spectroscopy (EDS) may be employed in conjunction with ESEM to provide information regarding the elemental composition of crystalline structures and demonstrate the potential for ESEM in combination with EDS to constitute a useful tool in exploring the mechanisms underpinning crystalline biofilm formation. © 2014 The Authors. FEMS Microbiology Letters published by John Wiley & Sons Ltd on behalf of Federation of European Microbiological Societies.

Recording of X-ray diffraction patterns for the investigation of transient changes in the crystalline structure of materials subjected to the action of shock waves

International Nuclear Information System (INIS)

Jamet, F.; Thomer, G.

An arrangement including a flash X-ray tube and an image intensifier has been designed and built in order to record X-ray diffraction patterns with exposure times of the order of 100nsec. This arrangement allows Laue patterns (polychromatic radiation) as well as powder patterns (copper K(α) radiation) to be recorded. Examples for record are shown. As an application to the investigation of transient changes in crystalline structures, the Debye-Scherrer patterns of potassium chloride undergoing the dynamic action of shock waves were recorded. The first results achieved are discussed [fr

Raman and infrared spectroscopic studies of the structure of water (H2O, HOD, D2O) in stoichiometric crystalline hydrates and in electrolyte solutions

International Nuclear Information System (INIS)

Buanam-Om, C.

1981-01-01

The chapter of reviews presents in particular the Badger-Bauer-rule, distance and angle dependence of O-H...Y hydrogen bond and the structure of aqueous electrolyte solutions. A chapter of vibrational spectroscopic investigations of crystalline hydrates - metal perchlorate hydrates follows. Two further chapters just so investigate metal halide hydrates and some sulfate hydrates and related systems. The following chapter describes near infrared spectroscopic investigations of HOD(D 2 O) and its electrolyte solutions. The concluding chapter contains thermodynamic consequences and some properties of electrolyte solutions from vibrational spectroscopic investigations. (SPI) [de

Solution processed nanogap organic diodes based on liquid crystalline materials

Science.gov (United States)

Wang, Yi-Fei; Iino, Hiroaki; Hanna, Jun-ichi

2017-09-01

Co-planar nanogap organic diodes were fabricated with smectic liquid crystalline materials of the benzothienobenzothiophene (BTBT) derivative by a spin-coating technique. A high rectification ratio of the order of 106 at ±3 V was achieved when a liquid crystalline material of 2,7-didecyl benzothieno[3,2-b][1]benzothiophene (10-BTBT-10) was used in a device configuration of Al/10-BTBT-10/pentafluorobenzenethiol-treated Au on a glass substrate, which was 4 orders higher than that of the device based on non-liquid crystalline materials of 2,7-dibutyl benzothieno[3,2-b][1]benzothiophene (4-BTBT-4) and BTBT. Similar results were also observed when another liquid crystalline material of ω, ω'-dioctylterthiophene (8-TTP-8) and a non-liquid crystalline material of terthiophene (TTP) were used. These improved rectifications can be ascribed to the self-assembly properties and controllable molecular orientation of liquid crystalline materials, which made uniform perpendicular oriented polycrystalline films favorable for superior charge transport in nano-channels.

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.

Molecular-dynamics simulation of crystalline 18-crown-6: thermal shortening of covalent bonds

NARCIS (Netherlands)

van Eerden, J.; Harkema, Sybolt; Feil, D.

1990-01-01

Molecular-dynamics simulations of crystalline 18-crown-6 have been performed in a study of the apparent thermal shortening of covalent bonds observed in crystal structures. At 100 K, a shortening of 0.006 _+ 0.001 A for C----C and C----O bonds was obtained. This result was found to be independent of

Graphene on insulating crystalline substrates

International Nuclear Information System (INIS)

Akcoeltekin, S; El Kharrazi, M; Koehler, B; Lorke, A; Schleberger, M

2009-01-01

We show that it is possible to prepare and identify ultra-thin sheets of graphene on crystalline substrates such as SrTiO 3 , TiO 2 , Al 2 O 3 and CaF 2 by standard techniques (mechanical exfoliation, optical and atomic force microscopy). On the substrates under consideration we find a similar distribution of single layer, bilayer and few-layer graphene and graphite flakes as with conventional SiO 2 substrates. The optical contrast C of a single graphene layer on any of those substrates is determined by calculating the optical properties of a two-dimensional metallic sheet on the surface of a dielectric, which yields values between C = -1.5% (G/TiO 2 ) and C = -8.8% (G/CaF 2 ). This contrast is in reasonable agreement with experimental data and is sufficient to make identification by an optical microscope possible. The graphene layers cover the crystalline substrate in a carpet-like mode and the height of single layer graphene on any of the crystalline substrates as determined by atomic force microscopy is d SLG = 0.34 nm and thus much smaller than on SiO 2 .

Diffractometric method for determining the degree of crystallinity of materials

Energy Technology Data Exchange (ETDEWEB)

Chukhchin, D. G., E-mail: dimatsch@mail.ru; Malkov, A. V.; Tyshkunova, I. V.; Mayer, L. V.; Novozhilov, E. V. [Lomonosov Northen (Arctic) Federal University (Russian Federation)

2016-05-15

A new method for determining the degree of crystallinity of a material from X-ray diffraction data has been developed. The method is based on estimating the rate of change in function I = f(2θ) in the entire range of scattering angles. A calculation is performed using the ratio of the integral modulus of the first derivative of intensity with respect to angle 2θ to the integral area under the diffraction pattern curve. The method was tested on two substances with known amorphous and crystalline components. A linear relationship is revealed between the specified ratio of crystalline and amorphous parts and the calculated crystallinity index. The proposed method allows one to estimate impartially and compare the degree of crystallinity for samples of different nature.

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

Amorphous silicon crystalline silicon heterojunction solar cells

CERN Document Server

Fahrner, Wolfgang Rainer

2013-01-01

Amorphous Silicon/Crystalline Silicon Solar Cells deals with some typical properties of heterojunction solar cells, such as their history, the properties and the challenges of the cells, some important measurement tools, some simulation programs and a brief survey of the state of the art, aiming to provide an initial framework in this field and serve as a ready reference for all those interested in the subject. This book helps to "fill in the blanks" on heterojunction solar cells. Readers will receive a comprehensive overview of the principles, structures, processing techniques and the current developmental states of the devices. Prof. Dr. Wolfgang R. Fahrner is a professor at the University of Hagen, Germany and Nanchang University, China.

Importance of crystallinity of anchoring block of semi-solid amphiphilic triblock copolymers in stabilization of silicone nanoemulsions.

Science.gov (United States)

Le Kim, Trang Huyen; Jun, Hwiseok; Nam, Yoon Sung

2017-10-01

Polymer emulsifiers solidified at the interface between oil and water can provide exceptional dispersion stability to emulsions due to the formation of unique semi-solid interphase. Our recent works showed that the structural stability of paraffin-in-water emulsions highly depends on the oil wettability of hydrophobic block of methoxy poly(ethylene glycol)-block-poly(ε-caprolactone) (mPEG-b-PCL). Here we investigate the effects of the crystallinity of hydrophobic block of triblock copolymer-based emulsifiers, PCLL-b-PEG-b-PCLL, on the colloidal properties of silicone oil-in-water nanoemulsions. The increased ratio of l-lactide to ε-caprolactone decreases the crystallinity of the hydrophobic block, which in turn reduces the droplet size of silicone oil nanoemulsions due to the increased chain mobility at the interface. All of the prepared nanoemulsions are very stable for a month at 37°C. However, the exposure to repeated freeze-thaw cycles quickly destabilizes the nanoemulsions prepared using the polymer with the reduced crystallinity. This work demonstrates that the anchoring chain crystallization in the semi-solid interphase is critically important for the structural robustness of nanoemulsions under harsh physical stresses. Copyright © 2017 Elsevier Inc. All rights reserved.

Real-time monitoring and structural control of a wind turbine using a rocking system

DEFF Research Database (Denmark)

Caterino, Nicola; Spizzuoco, Mariacristina; Georgakis, Christos T.

2016-01-01

The design of a semi-active (SA) control system to mitigate wind induced structural demand to high wind turbine towers is discussed herein. A variable restraint at the base, able to modify in real time its mechanical properties according to the instantaneous response of the tower, is proposed...

X-ray scattering and diffraction from Xe-induced ripples in crystalline silicon

Energy Technology Data Exchange (ETDEWEB)

Biermanns, Andreas; Pietsch, Ullrich; Grigorian, Souren [Universitaet Siegen (Germany); Grenzer, Joerg; Facsko, Stefan; Hanisch, Antje [Foschungszentrum Dresden-Rossendorf (Germany); Carbone, Dina; Metzger, Hartmut [ID Beamline, ESRF (France)

2008-07-01

The formation of surface-nanostructures with a characteristic size ranging from several nanometer up to microns has attracted significant interest in the last decades in the context of fabrication of novel opto-electronic and storage devices. One kind of those nanostructures are wave-like patterns (ripples) produced by an interplay between a roughening process caused by ion beam erosion (sputtering) of the surface and smoothening processes caused by surface diffusion. In this contribution we report on investigations of patterned Si(001) surfaces after irradiation with Xe{sup +}-ions using ion-energies up to 40 keV. During the sputtering, an amorphous surface-layer is formed followed by a rather sharp interface towards crystalline material, showing the same morphology as the surface. The structures of the amorphous layer and the amorphous-crystalline interface were studied by means of grazing-incidence-small angle scattering (GISAXS) and diffraction (GID) using synchrotron-radiation. We found that the crystal structure at the interface is expanded along the ripples, caused by the creation of defects inside the surface region, whereas this expansion is strongly reduced across the ripples. This different relaxation may play a driving role in pattern formation at the interface.

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

Quantitative aspects of crystalline lactose in milk products

NARCIS (Netherlands)

Roetman, K.

1982-01-01

The occurrence of crystalline lactose in milk products and its influence on their physical properties are briefly reviewed. The importance of the quantitive determination of crystalline lactose for scientific and industrial purposes is indicated, and a summary is given of our earlier work. This

Room temperature deposition of crystalline indium tin oxide films by cesium-assisted magnetron sputtering

International Nuclear Information System (INIS)

Lee, Deuk Yeon; Baik, Hong-Koo

2008-01-01

Indium tin oxide (ITO) films were deposited on a Si (1 0 0) substrate at room temperature by cesium-assisted magnetron sputtering. Including plasma characteristics, the structural, electrical, and optical properties of deposited films were investigated as a function of cesium partial vapor pressure controlled by cesium reservoir temperature. We calculated the cesium coverage on the target surface showing maximum formation efficiency of negative ions by means of the theoretical model. Cesium addition promotes the formation efficiency of negative ions, which plays important role in enhancing the crystallinity of ITO films. In particular, the plasma density was linearly increased with cesium concentrations. The resultant decrease in specific resistivity and increase in transmittance (82% in the visible region) at optimum cesium concentration (4.24 x 10 -4 Ω cm at 80 deg. C of reservoir temperature) may be due to enhanced crystallinity of ITO films. Excess cesium incorporation into ITO films resulted in amorphization of its microstructure leading to degradation of ITO crystallinity. We discuss the cesium effects based on the growth mechanism of ITO films and the plasma density

Attenuation of Thermal Neutrons by Crystalline Silicon

International Nuclear Information System (INIS)

Adib, M.; Habib, N.; Ashry, A.; Fathalla, M.

2002-01-01

A simple formula is given which allows to calculate the contribution of the total neutron cross - section including the Bragg scattering from different (hkt) planes to the neutron * transmission through a solid crystalline silicon. The formula takes into account the silicon form of poly or mono crystals and its parameters. A computer program DSIC was developed to provide the required calculations. The calculated values of the total neutron cross-section of perfect silicon crystal at room and liquid nitrogen temperatures were compared with the experimental ones. The obtained agreement shows that the simple formula fits the experimental data with sufficient accuracy .A good agreement was also obtained between the calculated and measured values of polycrystalline silicon in the energy range from 5 eV to 500μ eV. The feasibility study on using a poly-crystalline silicon as a cold neutron filter and mono-crystalline as a thermal neutron one is given. The optimum crystal thickness, mosaic spread, temperature and cutting plane for efficiently transmitting the thermal reactor neutrons, while rejecting both fast neutrons and gamma rays accompanying the thermal ones for the mono crystalline silicon are also given

A new series of two-ring-based side chain liquid crystalline polymers: synthesis and mesophase characterization

CSIR Research Space (South Africa)

Reddy, GSM

2013-05-01

Full Text Available A new series of side chain liquid crystalline polymers containing a core, a butamethylenoxy spacer, ester groups, and terminal alkoxy groups were synthesised and their structures were confirmed. The core was constructed with two phenyl rings...

Structure, morphology, and magnetic properties of Fe nanoparticles deposited onto single-crystalline surfaces

Directory of Open Access Journals (Sweden)

Armin Kleibert

2011-01-01

Full Text Available Background: Magnetic nanostructures and nanoparticles often show novel magnetic phenomena not known from the respective bulk materials. In the past, several methods to prepare such structures have been developed – ranging from wet chemistry-based to physical-based methods such as self-organization or cluster growth. The preparation method has a significant influence on the resulting properties of the generated nanostructures. Taking chemical approaches, this influence may arise from the chemical environment, reaction kinetics and the preparation route. Taking physical approaches, the thermodynamics and the kinetics of the growth mode or – when depositing preformed clusters/nanoparticles on a surface – the landing kinetics and subsequent relaxation processes have a strong impact and thus need to be considered when attempting to control magnetic and structural properties of supported clusters or nanoparticles.Results: In this contribution we focus on mass-filtered Fe nanoparticles in a size range from 4 nm to 10 nm that are generated in a cluster source and subsequently deposited onto two single crystalline substrates: fcc Ni(111/W(110 and bcc W(110. We use a combined approach of X-ray magnetic circular dichroism (XMCD, reflection high energy electron diffraction (RHEED and scanning tunneling microscopy (STM to shed light on the complex and size-dependent relation between magnetic properties, crystallographic structure, orientation and morphology. In particular XMCD reveals that Fe particles on Ni(111/W(110 have a significantly lower (higher magnetic spin (orbital moment compared to bulk iron. The reduced spin moments are attributed to the random particle orientation being confirmed by RHEED together with a competition of magnetic exchange energy at the interface and magnetic anisotropy energy in the particles. The RHEED data also show that the Fe particles on W(110 – despite of the large lattice mismatch between iron and tungsten – are

Nanomechanical properties of thick porous silicon layers grown on p- and p+-type bulk crystalline Si

International Nuclear Information System (INIS)

Charitidis, C.A.; Skarmoutsou, A.; Nassiopoulou, A.G.; Dragoneas, A.

2011-01-01

Highlights: → The nanomechanical properties of bulk crystalline Si. → The nanomechanical properties of porous Si. → The elastic-plastic deformation of porous Si compared to bulk crystalline quantified by nanoindentation data analysis. - Abstract: The nanomechanical properties and the nanoscale deformation of thick porous Si (PSi) layers of two different morphologies, grown electrochemically on p-type and p+-type Si wafers were investigated by the depth-sensing nanoindentation technique over a small range of loads using a Berkovich indenter and were compared with those of bulk crystalline Si. The microstructure of the thick PSi layers was characterized by field emission scanning electron microscopy. PSi layers on p+-type Si show an anisotropic mesoporous structure with straight vertical pores of diameter in the range of 30-50 nm, while those on p-type Si show a sponge like mesoporous structure. The effect of the microstructure on the mechanical properties of the layers is discussed. It is shown that the hardness and Young's modulus of the PSi layers exhibit a strong dependence on their microstructure. In particular, PSi layers with the anisotropic straight vertical pores show higher hardness and elastic modulus values than sponge-like layers. However, sponge-like PSi layers reveal less plastic deformation and higher wear resistance compared with layers with straight vertical pores.

Chemical consequences of radioactive decay. 1. Study of 249Cf ingrowth into crystalline 249BkBr3: a new crystalline phase of CfBr3

International Nuclear Information System (INIS)

Young, J.P.; Haire, R.G.; Peterson, J.R.; Ensor, D.D.; Fellows, R.L.

1980-01-01

Spectrophotometric and x-ray powder diffraction methods have been applied to a study of the ingrowth of californium-249 by β - decay of berkelium-249 in crystalline 249 BkBr 3 . It was found that the Cf daughter grows in with the same oxidation state and crystal structure as the parent. Thus, six-coordinate BkBr 3 (AlCl 3 -type monoclinic structure) generates six-coordinate CfBr 3 , and eight-coordinate BkBr 3 (PuBr 3 -type orthorhombic structure) generates eight-coordinate CfBr 3 , a previously unknown form of CfBr 3 . It was also found that the daughter Cf(III) in the BkBr 3 parent compound can be reduced to Cf(II) by treatment with H 2 , as it can in pure CfBr 3 . 5 figures

Liquid-Crystalline Ionic Liquids as Ordered Reaction Media for the Diels-Alder Reaction.

Science.gov (United States)

Bruce, Duncan W; Gao, Yanan; Canongia Lopes, José Nuno; Shimizu, Karina; Slattery, John M

2016-11-02

Liquid-crystalline ionic liquids (LCILs) are ordered materials that have untapped potential to be used as reaction media for synthetic chemistry. This paper investigates the potential for the ordered structures of LCILs to influence the stereochemical outcome of the Diels-Alder reaction between cyclopentadiene and methyl acrylate. The ratio of endo- to exo-product from this reaction was monitored for a range of ionic liquids (ILs) and LCILs. Comparison of the endo:exo ratios in these reactions as a function of cation, anion and liquid crystallinity of the reaction media, allowed for the effects of liquid crystallinity to be distinguished from anion effects or cation alkyl chain length effects. These data strongly suggest that the proportion of exo-product increases as the reaction media is changed from an isotropic IL to a LCIL. A detailed molecular dynamics (MD) study suggests that this effect is related to different hydrogen bonding interactions between the reaction media and the exo- and endo-transition states in solvents with layered, smectic ordering compared to those that are isotropic. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Nonlinear optical properties of TeO$_2$ crystalline phases from first principles

OpenAIRE

Berkaine, Nabil; Orhan, Emmanuelle; Masson, Olivier; Thomas, Philippe; Junquera, Javier

2010-01-01

We have computed second and third nonlinear optical susceptibilities of two crystalline bulk tellurium oxide polymorphs: $\\alpha$-TeO$_{2}$ (the most stable crystalline bulk phase) and $\\gamma$-TeO$_{2}$ (the crystalline phase that ressembles the more to the glass phase. Third order nonlinear susceptibilities of the crystalline phases are two orders of magnitude larger than $\\alpha$-SiO$_{2}$ cristoballite, thus extending the experimental observations on glasses to the case of crystalline com...

Analysis of XFEL serial diffraction data from individual crystalline fibrils

Directory of Open Access Journals (Sweden)

David H. Wojtas

2017-11-01

Full Text Available Serial diffraction data collected at the Linac Coherent Light Source from crystalline amyloid fibrils delivered in a liquid jet show that the fibrils are well oriented in the jet. At low fibril concentrations, diffraction patterns are recorded from single fibrils; these patterns are weak and contain only a few reflections. Methods are developed for determining the orientation of patterns in reciprocal space and merging them in three dimensions. This allows the individual structure amplitudes to be calculated, thus overcoming the limitations of orientation and cylindrical averaging in conventional fibre diffraction analysis. The advantages of this technique should allow structural studies of fibrous systems in biology that are inaccessible using existing techniques.

A Study of Crystalline Mechanism of Penetration Sealer Materials.

Science.gov (United States)

Teng, Li-Wei; Huang, Ran; Chen, Jie; Cheng, An; Hsu, Hui-Mi

2014-01-14

It is quite common to dispense a topping material like crystalline penetration sealer materials (CPSM) onto the surface of a plastic substance such as concrete to extend its service life span by surface protections from outside breakthrough. The CPSM can penetrate into the existing pores or possible cracks in such a way that it may form crystals to block the potential paths which provide breakthrough for any unknown materials. This study investigated the crystalline mechanism formed in the part of concrete penetrated by the CPSM. We analyzed the chemical composites, in order to identify the mechanism of CPSM and to evaluate the penetrated depth. As shown in the results, SEM observes the acicular-structured crystals filling capillary pores for mortar substrate of the internal microstructure beneath the concrete surface; meanwhile, XRD and FT-IR showed the main hydration products of CPSM to be C-S-H gel and CaCO₃. Besides, MIP also shows CPSM with the ability to clog capillary pores of mortar substrate; thus, it reduces porosity, and appears to benefit in sealing pores or cracks. The depth of CPSM penetration capability indicated by TGA shows 0-10 mm of sealer layer beneath the concrete surface.

Heavy ion irradiation of crystalline water ice. Cosmic ray amorphisation cross-section and sputtering yield

Science.gov (United States)

Dartois, E.; Augé, B.; Boduch, P.; Brunetto, R.; Chabot, M.; Domaracka, A.; Ding, J. J.; Kamalou, O.; Lv, X. Y.; Rothard, H.; da Silveira, E. F.; Thomas, J. C.

2015-04-01

Context. Under cosmic irradiation, the interstellar water ice mantles evolve towards a compact amorphous state. Crystalline ice amorphisation was previously monitored mainly in the keV to hundreds of keV ion energies. Aims: We experimentally investigate heavy ion irradiation amorphisation of crystalline ice, at high energies closer to true cosmic rays, and explore the water-ice sputtering yield. Methods: We irradiated thin crystalline ice films with MeV to GeV swift ion beams, produced at the GANIL accelerator. The ice infrared spectral evolution as a function of fluence is monitored with in-situ infrared spectroscopy (induced amorphisation of the initial crystalline state into a compact amorphous phase). Results: The crystalline ice amorphisation cross-section is measured in the high electronic stopping-power range for different temperatures. At large fluence, the ice sputtering is measured on the infrared spectra, and the fitted sputtering-yield dependence, combined with previous measurements, is quadratic over three decades of electronic stopping power. Conclusions: The final state of cosmic ray irradiation for porous amorphous and crystalline ice, as monitored by infrared spectroscopy, is the same, but with a large difference in cross-section, hence in time scale in an astrophysical context. The cosmic ray water-ice sputtering rates compete with the UV photodesorption yields reported in the literature. The prevalence of direct cosmic ray sputtering over cosmic-ray induced photons photodesorption may be particularly true for ices strongly bonded to the ice mantles surfaces, such as hydrogen-bonded ice structures or more generally the so-called polar ices. Experiments performed at the Grand Accélérateur National d'Ions Lourds (GANIL) Caen, France. Part of this work has been financed by the French INSU-CNRS programme "Physique et Chimie du Milieu Interstellaire" (PCMI) and the ANR IGLIAS.

On the origin of anisotropic lithiation in crystalline silicon over germanium: A first principles study

Energy Technology Data Exchange (ETDEWEB)

Chou, Chia-Yun [Materials Science and Engineering Program, University of Texas at Austin, Austin, TX 78712 (United States); Hwang, Gyeong S., E-mail: gshwang@che.utexas.edu [Materials Science and Engineering Program, University of Texas at Austin, Austin, TX 78712 (United States); Department of Chemical Engineering, University of Texas at Austin, Austin, TX 78712 (United States)

2014-12-30

Graphical abstract: - Highlights: • We examine the underlying reasons for the anisotropic lithiation of Si over Ge in the crystalline phase. • Crystalline Si is lithiated in a layer-by-layer fashion, yielding a sharp amorphous–crystalline interface. • Lithiated c-Ge exhibits a graded lithiation front, which proceeds much faster than that in c-Si. • Lithiation behavior tends to be subject to the stiffness and dynamics of the host matrix. • We reveal the origin and extended impacts of the anisotropic Si vs. isotropic Ge lithiation. - Abstract: Silicon (Si) and germanium (Ge) are both recognized as a promising anode material for high-energy lithium-ion batteries. Si is abundant and best known for its superior gravimetric energy storage capacity, while Ge exhibits faster charge/discharge rates and better capacity retention. Recently, it was discovered that Si lithiation exhibits strong orientation dependence while Ge lithiation proceeds isotropically, although they have the same crystalline structure. To better understand the underlying reasons behind these distinctive differences, we examine and compare the lithiation behaviors at the Li{sub 4}Si/c-Si(1 1 0) and Li{sub 4}Ge/c-Ge(1 1 0) model systems using ab initio molecular dynamics simulations. In comparison to lithiated c-Si, where a sharp amorphous–crystalline interface remains and advances rather slowly, lithiated c-Ge tends to loose its crystallinity rapidly, resulting in a graded lithiation front of fast propagation speed. Analysis of the elastic responses and dynamics of the host Si and Ge lattices clearly demonstrate that from the beginning of the lithiation process, Ge lattice responds with more significant weakening as compared to the rigid Si lattice. Moreover, the more flexible Ge lattice is found to undergo facile atomic rearrangements during lithiation, overshadowing the original crystallographic characteristic. These unique properties of Ge thereby contribute synergistically to the rapid

Impact of change of matrix crystallinity and polymorphism on ovalbumin release from lipid-based implants.

Science.gov (United States)

Duque, Luisa; Körber, Martin; Bodmeier, Roland

2018-05-30

The objectives of this study were to prepare lipid-based implants by hot melt extrusion (HME) for the prolonged release of ovalbumin (OVA), and to relate protein release to crystallinity and polymorphic changes of the lipid matrix. Two lipids, glycerol tristearate and hydrogenated palm oil, with different composition and degree of crystallinity were studied. Solid OVA was dispersed within the lipid matrixes, which preserved its stability during extrusion. This was partially attributed to a protective effect of the lipidic matrix. The incorporation of OVA decreased the mechanical strength of the implants prepared with the more crystalline matrix, glycerol tristearate, whereas it remained comparable for the hydrogenated palm oil because of stronger physical and non-covalent interactions between the protein and this lipid. This was also the reason for the faster release of OVA from the glycerol tristearate matrix when compared to the hydrogenated palm oil (8 vs. 28 weeks). Curing induced and increased crystallinity, and changes in the release rate, especially for the more crystalline matrix. In this case, both an increase and a decrease in release, were observed depending on the tempering condition. Curing at higher temperatures induced a melt-mediated crystallization and solid state transformation of the glycerol tristearate matrix and led to rearrangements of the inner structure with the formation of larger pores, which accelerated the release. In contrast, changes in the hydrogenated palm oil under the same curing conditions were less noticeable leading to a more robust formulation, because of less polymorphic changes over time. This study helps to understand the effect of lipid matrix composition and crystallinity degree on the performance of protein-loaded implants, and to establish criteria for the selection of a lipid carrier depending on the release profile desired. Copyright © 2018. Published by Elsevier B.V.

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.

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.

Methods and uncertainty estimations of 3-D structural modelling in crystalline rocks: a case study

Directory of Open Access Journals (Sweden)

R. Schneeberger

2017-09-01

Full Text Available Exhumed basement rocks are often dissected by faults, the latter controlling physical parameters such as rock strength, porosity, or permeability. Knowledge on the three-dimensional (3-D geometry of the fault pattern and its continuation with depth is therefore of paramount importance for applied geology projects (e.g. tunnelling, nuclear waste disposal in crystalline bedrock. The central Aar massif (Central Switzerland serves as a study area where we investigate the 3-D geometry of the Alpine fault pattern by means of both surface (fieldwork and remote sensing and underground ground (mapping of the Grimsel Test Site information. The fault zone pattern consists of planar steep major faults (kilometre scale interconnected with secondary relay faults (hectometre scale. Starting with surface data, we present a workflow for structural 3-D modelling of the primary faults based on a comparison of three extrapolation approaches based on (a field data, (b Delaunay triangulation, and (c a best-fitting moment of inertia analysis. The quality of these surface-data-based 3-D models is then tested with respect to the fit of the predictions with the underground appearance of faults. All three extrapolation approaches result in a close fit (> 10 % when compared with underground rock laboratory mapping. Subsequently, we performed a statistical interpolation based on Bayesian inference in order to validate and further constrain the uncertainty of the extrapolation approaches. This comparison indicates that fieldwork at the surface is key for accurately constraining the geometry of the fault pattern and enabling a proper extrapolation of major faults towards depth. Considerable uncertainties, however, persist with respect to smaller-sized secondary structures because of their limited spatial extensions and unknown reoccurrence intervals.

Fourier transform infrared spectroscopic estimation of crystallinity in ...

Indian Academy of Sciences (India)

Wintec

The crystallinity parameter is calculated by using a standard procedure which can be used to estimate the distribution of quartz in various rocks for mining purpose. The infrared ... The X-ray diffraction full ... crystallinity and trace mineral components of rocks (Partha- ... infrared techniques (Rice et al 1995). ... The absorption.

Introduction to real analysis

CERN Document Server

Schramm, Michael J

2008-01-01

This text forms a bridge between courses in calculus and real analysis. It focuses on the construction of mathematical proofs as well as their final content. Suitable for upper-level undergraduates and graduate students of real analysis, it also provides a vital reference book for advanced courses in mathematics.The four-part treatment begins with an introduction to basic logical structures and techniques of proof, including discussions of the cardinality concept and the algebraic and order structures of the real and rational number systems. Part Two presents in-depth examinations of the compl

Real-space formulation of the electrostatic potential and total energy of solids

International Nuclear Information System (INIS)

Pask, J E; Sterne, P A

2004-01-01

We develop expressions for the electrostatic potential and total energy of crystalline solids which are amenable to direct evaluation in real space. Unlike conventional reciprocal space formulations, no Fourier transforms or reciprocal lattice summations are required, and the formulation is well suited for large-scale, parallel computations. The need for reciprocal space expressions is eliminated by replacing long-range potentials by equivalent localized charge distributions and incorporating long-range interactions into boundary conditions on the unit cell. In so doing, a simplification of the conventional reciprocal space formalism is obtained. The equivalence of the real- and reciprocal space formalisms is demonstrated by direct comparison in self-consistent density-functional calculations

3D spin-flop transition in enhanced 2D layered structure single crystalline TlCo2Se2

Science.gov (United States)

Jin, Z.; Xia, Z.-C.; Wei, M.; Yang, J.-H.; Chen, B.; Huang, S.; Shang, C.; Wu, H.; Zhang, X.-X.; Huang, J.-W.; Ouyang, Z.-W.

2016-10-01

The enhanced 2D layered structure single crystalline TlCo2Se2 has been successfully fabricated, which exhibits field-induced 3D spin-flop phase transitions. In the case of the magnetic field parallel to the c-axis (B//c), the applied magnetic field induces the evolution of the noncollinear helical magnetic coupling into a ferromagnetic (FM) state with all the magnetization of the Co ion parallel to the c-axis. A striking variation of the field-induced strain within the ab-plane is noticed in the magnetic field region of 20-30 T. In the case of the magnetic field perpendicular to the c-axis (B  ⊥  c), the inter-layer helical antiferromagnetic (AFM) coupling may transform to an initial canted AFM coupling, and then part of it transforms to an intermediate metamagnetic phase with the alignment of two-up-one-down Co magnetic moments and finally to an ultimate FM coupling in higher magnetic fields. The robust noncollinear AFM magnetic coupling is completely destroyed above 30 T. In combination with the measurements of magnetization, magnetoresistance and field-induced strain, a complete magnetic phase diagram of the TlCo2Se2 single crystal has been depicted, demonstrating complex magnetic structures even though the crystal geometry itself gives no indication of the magnetic frustration.

Used fuel disposition in crystalline rocks

Energy Technology Data Exchange (ETDEWEB)

Wang, Y. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Hadgu, Teklu [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Kalinina, Elena Arkadievna [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Jerden, James L. [Argonne National Lab. (ANL), Argonne, IL (United States); Copple, Jacqueline M. [Argonne National Lab. (ANL), Argonne, IL (United States); Cruse, T. [Argonne National Lab. (ANL), Argonne, IL (United States); Ebert, W. [Argonne National Lab. (ANL), Argonne, IL (United States); Buck, E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Eittman, R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Tinnacher, R. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Tournassat, Christophe. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Davis, J. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Viswanathan, H. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chu, S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Dittrich, T. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Hyman, F. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Karra, S. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Makedonska, N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Reimus, P. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Zavarin, Mavrik [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Joseph, C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2016-09-01

The U.S. Department of Energy Office of Nuclear Energy, Office of Fuel Cycle Technology established the Used Fuel Disposition Campaign (UFDC) in fiscal year 2010 (FY10) to conduct the research and development (R&D) activities related to storage, transportation and disposal of used nuclear fuel and high level nuclear waste. The objective of the Crystalline Disposal R&D Work Package is to advance our understanding of long-term disposal of used fuel in crystalline rocks and to develop necessary experimental and computational capabilities to evaluate various disposal concepts in such media.

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)

Hydrogen passivation of multi-crystalline silicon solar cells

Institute of Scientific and Technical Information of China (English)

胡志华; 廖显伯; 刘祖明; 夏朝凤; 陈庭金

2003-01-01

The effects of hydrogen passivation on multi-crystalline silicon (mc-Si) solar cells are reported in this paper.Hydrogen plasma was generated by means of ac glow discharge in a hydrogen atmosphere. Hydrogen passivation was carried out with three different groups of mc-Si solar cells after finishing contacts. The experimental results demonstrated that the photovoltaic performances of the solar cell samples have been improved after hydrogen plasma treatment, with a relative increase in conversion efficiency up to 10.6%. A calculation modelling has been performed to interpret the experimental results using the model for analysis of microelectronic and photonic structures developed at Pennsylvania State University.

Poly(butylene terephthalate)/montmorillonite nanocomposites: Effect of montmorillonite on the morphology, crystalline structure, isothermal crystallization kinetics and mechanical properties

International Nuclear Information System (INIS)

Kalkar, Arun K.; Deshpande, Vineeta D.; Vatsaraj, Bhakti S.

2013-01-01

Graphical abstract: - Highlights: • Effect of amount of clay content, its dispersion on crystalline structure of PBT. • Regime break temperature shifts to lower temperature for PCN4 up to 197 °C. • Tensile modulus enhanced up to 95% for PCN3 compared to PBT. - Abstract: Nanocomposites (PCNs), based on poly(butylene terephthalte) (PBT) and organoclay (Cloisite-15A) MMT were prepared by melt intercalation compounding process. The nanoscale dispersion and the microcrystal structure studied qualitatively using; X-ray diffraction (XRD) and electron microscopy (SEM, TEM and AFM). The XRD results indicated that the crystal size is highly dependent on the crystallization temperature. The isothermal crystallization kinetics of PBT in PCNs analysis indicated that the overall crystallization of PBT involved heterogeneous nucleated three-dimensional spherical primary crystallization growth process. The crystallization rate, however, is dependent on the PCN-composition, crystallization temperature and the dispersion state of clay in PCNs. Further analysis, based on Hoffman-Lauritzen theory revealed that the neat PBT and PBT in PCNs crystallization follow regime-II kinetics for temperature 195 °C–205 °C and enters the regime-III kinetics in lower T c range, 185 °C–195 °C. The improvement in mechanical properties is highly dependent on the level of clay exfoliation in PBT matrix

A real-space stochastic density matrix approach for density functional electronic structure.

Science.gov (United States)

Beck, Thomas L

2015-12-21

The recent development of real-space grid methods has led to more efficient, accurate, and adaptable approaches for large-scale electrostatics and density functional electronic structure modeling. With the incorporation of multiscale techniques, linear-scaling real-space solvers are possible for density functional problems if localized orbitals are used to represent the Kohn-Sham energy functional. These methods still suffer from high computational and storage overheads, however, due to extensive matrix operations related to the underlying wave function grid representation. In this paper, an alternative stochastic method is outlined that aims to solve directly for the one-electron density matrix in real space. In order to illustrate aspects of the method, model calculations are performed for simple one-dimensional problems that display some features of the more general problem, such as spatial nodes in the density matrix. This orbital-free approach may prove helpful considering a future involving increasingly parallel computing architectures. Its primary advantage is the near-locality of the random walks, allowing for simultaneous updates of the density matrix in different regions of space partitioned across the processors. In addition, it allows for testing and enforcement of the particle number and idempotency constraints through stabilization of a Feynman-Kac functional integral as opposed to the extensive matrix operations in traditional approaches.

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...

Quantum theory in real Hilbert space: How the complex Hilbert space structure emerges from Poincaré symmetry